930	930	940	0:SP2_SP-NON_SP2	C	C	P	2:4:3:	2:4:3:	3:3:	P-2:C-4:C-3:	P-2:C-4:C-3:	C[5]-3:C-3:	C(PC[5])(CC3)(CCP)	C(PC[5])(CC3)(CCP)	P(C[5]N[5]2)(CCC)	C(PC[5])(CC3)(CCP)	C(PC[5])(CC3)(CCP)	P(C[5]N[5]2)(CCC)	120.4590	0.119	2	120.4590	0.014	2	120.4590	0.014	2	120.4590	0.014	2	120.4590	0.014	2	120.4590	0.014	2
930	930	941	0:SP2_SP2_SP2	C	C	N	2:2:3:	3:3:1:	3:3:	N-2:O-2:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(OC[6a])(CCH)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(OC[6a])(CCH)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]2)(CCO)	128.5680	0.358	2	128.5680	0.128	2	128.5680	0.128	2	128.5680	0.128	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	2:3:1:	3:3:	N-2:C-3:H-1:	N-2:C-3:H-1:	C[6]-3:C-3:	C(NC[6])(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6]C[6]2)(CCH)	C(NC[6])(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6]C[6]2)(CCH)	120.2270	0.000	1	120.2270	0.000	1	120.2270	0.000	1	120.3930	3.259	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	2:3:1:	3:3:	N-2:C-3:H-1:	N-2:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CHN)(H)	C(NC[6])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CHN)(H)	C(NC[6])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	118.5990	0.000	1	118.5990	0.000	1	120.7538	3.731	9	120.3930	3.259	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	2:3:1:	3:3:	N-2:C-3:H-1:	N-2:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)	121.0231	1.876	8	121.0231	3.518	8	120.7538	3.731	9	120.3930	3.259	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	2:3:1:	3:3:	N-2:C-3:H-1:	N-2:C-3:H-1:	N[5]-3:C-3:	C(NN[5])(CHN)(H)	C(NN[5])(CHN)(H)	N(N[5]C[5,6a]C[5])(CCH)	C(NN[5])(CHN)(H)	C(NN[5])(CHN)(H)	N(N[5]C[5,6a]C[5])(CCH)	118.8525	0.228	2	118.8525	0.052	2	118.8525	0.052	2	120.3930	3.259	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	2:3:1:	4:3:	N-2:C-3:H-1:	N-2:C-3:H-1:	Si[5]-4:C-3:	C(NSi[5])(CHN)(H)	C(NSi[5])(CHN)(H)	N(Si[5]C[5]2C)(CCH)	C(NSi[5])(CHN)(H)	C(NSi[5])(CHN)(H)	N(Si[5]C[5]2C)(CCH)	137.1380	0.000	1	137.1380	0.000	1	137.1380	0.000	1	137.1380	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	2:3:3:	3:3:	N-2:C-3:O-1:	C-2:C-3:C-3:	C[6]-3:C-3:	C(NC[6])(CCC)(O)	C(CC[6])(CCN)(CNO)	N(C[6]C[6,6]C[6])(CCO)	C(NC[6])(CCC)(O)	C(CC[6])(CCN)(CNO)	N(C[6]C[6,6]C[6])(CCO)	115.3960	0.000	1	115.3960	0.000	1	115.3960	0.000	1	115.3960	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:1:1:	3:3:	N-2:C-3:H-1:	C-3:H-1:O-1:	N[5]-3:C-3:	C(NN[5])(CHO)(H)	C(CHN)(H)(O)	N(N[5]C[5,6]C[5])(CCH)	C(NN[5])(CHO)(H)	C(CHN)(H)(O)	N(N[5]C[5,6]C[5])(CCH)	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:2:1:	3:3:	N-2:C-3:H-1:	C-3:N-2:H-1:	N[5a]-3:C-3:	C(NN[5a])(CHN)(H)	C(CHN)(NN)(H)	N(N[5a]C[5a]N[5a])(CCH)	C(NN[5a])(CHN)(H)	C(CHN)(NN)(H)	N(N[5a]C[5a]N[5a])(CCH)	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	113.0110	3.836	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:2:1:	3:3:	N-2:C-3:O-1:	C-3:O-2:O-1:	C[6a]-3:C-3:	C(NC[6a])(COO)(O)	C(CNO)(OC)(O)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(COO)(O)	C(CNO)(OC)(O)	N(C[6a]C[6a]2)(CCO)	111.6260	0.000	1	111.6260	0.000	1	111.6260	0.000	1	113.0110	3.836	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:2:1:	4:3:	N-2:C-3:O-1:	C-3:O-2:O-1:	C[5]-4:C-3:	C(NC[5])(COO)(O)	C(CNO)(OC)(O)	N(C[5]C[5]2Fe)(CCO)	C(NC[5])(COO)(O)	C(CNO)(OC)(O)	N(C[5]C[5]2Fe)(CCO)	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:2:2:	3:3:	N-2:C-3:H-1:	C-3:C-2:C-2:	C[6]-3:C-3:	C(NC[6])(CCC)(H)	C(CHN)(CN)2	N(C[6]C[6]N[6])(CCH)	C(NC[6])(CCC)(H)	C(CHN)(CN)2	N(C[6]C[6]N[6])(CCH)	121.8800	0.000	1	121.8800	0.000	1	121.8800	0.000	1	121.8800	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:C-3:Br-1:	C[6a]-3:C-3:	C(NC[6a])(CBrC)(H)	C(CHN)(COO)(Br)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CBrC)(H)	C(CHN)(COO)(Br)	N(C[6a]C[6a]2)(CCH)	126.0980	0.000	1	126.0980	0.000	1	126.0980	0.000	1	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C[5a]-3:C-3:	C(NC[5a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(C[5a]C[5a]2)(CCH)	C(NC[5a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(C[5a]C[5a]2)(CCH)	120.7240	0.000	1	120.7240	0.000	1	121.8650	2.604	2	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C[5a]-3:C-3:	C(NC[5a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(C[5a]C[5a]N[5a])(CCH)	C(NC[5a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(C[5a]C[5a]N[5a])(CCH)	123.0060	0.000	1	123.0060	0.000	1	121.8650	2.604	2	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CCH)(H)	C(CC[6a]2)(CHN)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)	C(NC[6a])(CCH)(H)	C(CC[6a]2)(CHN)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)	118.8980	0.000	1	118.8980	0.000	1	121.6946	1.444	25	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CCH)(H)	C(CC[6a]2)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CCH)(H)	C(CC[6a]2)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	120.7278	0.738	4	120.7278	0.544	4	121.6946	1.444	25	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)	C(NC[6a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)	121.7977	0.723	3	121.7977	0.523	3	121.6946	1.444	25	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	121.9396	0.949	16	121.9396	0.900	16	121.6946	1.444	25	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CCH)(H)	C(CC[6a]O)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CCH)(H)	C(CC[6a]O)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	124.1310	0.000	1	124.1310	0.000	1	121.6946	1.444	25	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:C-3:H-1:	N[5]-3:C-3:	C(NN[5])(CCH)(H)	C(CCH)(CHN)(H)	N(N[5]C[5]2)(CCH)	C(NN[5])(CCH)(H)	C(CCH)(CHN)(H)	N(N[5]C[5]2)(CCH)	117.3890	0.770	6	117.3890	0.593	6	118.5972	2.904	10	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:C-3:H-1:	N[5]-3:C-3:	C(NN[5])(CCH)(H)	C(CC[5a]H)(CHN)(H)	N(N[5]C[5]2)(CCH)	C(NN[5])(CCH)(H)	C(CC[5a]H)(CHN)(H)	N(N[5]C[5]2)(CCH)	120.1713	0.545	3	120.1713	0.297	3	118.5972	2.904	10	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:C-3:H-1:	N[5]-3:C-3:	C(NN[5])(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(N[5]C[5]2)(CCH)	C(NN[5])(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(N[5]C[5]2)(CCH)	121.1240	0.000	1	121.1240	0.000	1	118.5972	2.904	10	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CHN)(H)	C(NC[3x6]C)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CHN)(H)	C(NC[3x6]C)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	123.0850	0.000	1	123.0850	0.000	1	117.0710	8.394	8	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CHN)(H)	C(NC[6a]Al)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CHN)(H)	C(NC[6a]Al)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	118.7670	0.000	1	118.7670	0.000	1	117.0710	8.394	8	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CHN)(H)	C(NC[6a]Ga)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CHN)(H)	C(NC[6a]Ga)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	116.5353	0.925	4	116.5353	0.856	4	117.0710	8.394	8	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CHN)(H)	C(NC[6a]H)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CHN)(H)	C(NC[6a]H)(CHN)(H)	N(C[6a]C[6a]2)(CCH)	114.2875	0.709	2	114.2875	0.503	2	117.0710	8.394	8	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)	114.5830	0.000	1	114.5830	0.000	1	114.5830	0.000	1	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:O-1:	N-3:C-3:O-1:	C[6a]-3:C-3:	C(NC[6a])(CNO)(O)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CNO)(O)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)	112.7770	0.000	1	112.7770	0.000	1	112.7770	0.000	1	120.0436	8.677	48	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:1:	4:3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C[6]-4:C-3:	C(NC[6])(CCH)(H)	C(CC[6]H)(CHN)(H)	N(C[6]C[6]2H)(CCH)	C(NC[6])(CCH)(H)	C(CC[6]H)(CHN)(H)	N(C[6]C[6]2H)(CCH)	122.7442	1.058	4	122.7442	1.119	4	122.7442	1.119	4	122.7442	1.119	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:2:	3:3:	N-2:C-3:H-1:	C-3:C-3:C-2:	C[6a]-3:C-3:	C(NC[6a])(CCC)(H)	C(CC[5a]H)(CHN)(CN)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CCC)(H)	C(CC[5a]H)(CHN)(CN)	N(C[6a]C[6a]2)(CCH)	119.0700	0.943	2	119.0700	0.890	2	120.6495	3.664	4	118.8420	6.271	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:2:	3:3:	N-2:C-3:H-1:	C-3:C-3:C-2:	C[6a]-3:C-3:	C(NC[6a])(CCC)(H)	C(CHN)2(CN)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CCC)(H)	C(CHN)2(CN)	N(C[6a]C[6a]2)(CCH)	122.2290	0.349	2	122.2290	0.122	2	120.6495	3.664	4	118.8420	6.271	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:2:	3:3:	N-2:C-3:H-1:	C-3:C-3:O-2:	C[5a]-3:C-3:	C(NC[5a])(CCO)(H)	C(CC[6a]H)(CHN)(OC)	N(C[5a]C[5a]O[5a])(CCH)	C(NC[5a])(CCO)(H)	C(CC[6a]H)(CHN)(OC)	N(C[5a]C[5a]O[5a])(CCH)	120.4710	0.000	1	120.4710	0.000	1	120.4710	0.000	1	118.8420	6.271	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:2:	3:3:	N-2:C-3:O-1:	C-3:C-3:C-2:	C[6]-3:C-3:	C(NC[6])(CCC)(O)	C(CBrC)(CNO)(CC)	N(C[6]C[6,6]C[6])(CCO)	C(NC[6])(CCC)(O)	C(CBrC)(CNO)(CC)	N(C[6]C[6,6]C[6])(CCO)	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	118.8420	6.271	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:2:	3:3:	N-2:C-3:O-1:	C-3:C-3:C-2:	C[6a]-3:C-3:	C(NC[6a])(CCC)(O)	C(CCO)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCC)(O)	C(CCO)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)	118.5450	0.000	1	118.5450	0.000	1	119.2107	0.341	4	118.8420	6.271	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:2:	3:3:	N-2:C-3:O-1:	C-3:C-3:C-2:	C[6a]-3:C-3:	C(NC[6a])(CCC)(O)	C(CNO)2(CN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCC)(O)	C(CNO)2(CN)	N(C[6a]C[6a]2)(CCO)	119.4327	0.465	3	119.4327	0.216	3	119.2107	0.341	4	118.8420	6.271	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:2:	3:3:	N-2:C-3:S-1:	C-3:C-3:C-2:	C[6a]-3:C-3:	C(NC[6a])(CCC)(S)	C(CNO)(CNS)(CN)	N(C[6a]C[6a]2)(CCS)	C(NC[6a])(CCC)(S)	C(CNO)(CNS)(CN)	N(C[6a]C[6a]2)(CCS)	116.2795	0.663	2	116.2795	0.439	2	116.2795	0.439	2	118.8420	6.271	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:3:	3:3:	N-2:C-3:H-1:	C-3:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CCC)(H)	C(CC[6a]O)(CHN)2	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CCC)(H)	C(CC[6a]O)(CHN)2	N(C[6a]C[6a]2)(CCH)	123.1685	0.510	2	123.1685	0.260	2	123.1685	0.260	2	121.5168	2.911	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:3:	3:3:	N-2:C-3:H-1:	C-3:C-3:N-3:	C[6]-3:C-3:	C(NC[6])(CCN)(H)	C(CHN)2(NOO)	N(C[6]C[6]2)(CCH)	C(NC[6])(CCN)(H)	C(CHN)2(NOO)	N(C[6]C[6]2)(CCH)	120.8260	0.000	1	120.8260	0.000	1	120.8260	0.000	1	121.5168	2.911	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:3:3:	3:3:	N-2:C-3:H-1:	C-3:C-3:N-3:	C[6a]-3:C-3:	C(NC[6a])(CCN)(H)	C(CHN)2(NOO)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CCN)(H)	C(CHN)2(NOO)	N(C[6a]C[6a]2)(CCH)	120.2105	1.428	2	120.2105	2.038	2	120.2105	2.038	2	121.5168	2.911	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:4:3:	3:3:	N-2:C-3:H-1:	C-3:C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(CCC)(H)	C(CC[6a]H)(CH3)(CHN)	N(C[6a]C[6a]2)(CCH)	C(NC[6a])(CCC)(H)	C(CC[6a]H)(CH3)(CHN)	N(C[6a]C[6a]2)(CCH)	122.6023	0.474	3	122.6023	0.224	3	122.6023	0.224	3	122.6023	0.224	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	3:4:3:	4:3:	N-2:C-3:H-1:	C-3:C-4:C-3:	C[6]-4:C-3:	C(NC[6])(CCC)(H)	C(CBrH)(CH3)(CHN)	N(C[6]C[6]2H)(CCH)	C(NC[6])(CCC)(H)	C(CBrH)(CH3)(CHN)	N(C[6]C[6]2H)(CCH)	122.0340	0.000	1	122.0340	0.000	1	122.0340	0.000	1	122.0340	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	4:3:3:	3:3:	N-2:C-3:H-1:	C-4:C-3:C-3:	N[6]-3:C-3:	C(NN[6])(CCC)(H)	C(CCHH)(CHH)(CHN)	N(N[6]C[6]2)(CCH)	C(NN[6])(CCC)(H)	C(CCHH)(CHH)(CHN)	N(N[6]C[6]2)(CCH)	121.5660	0.409	2	121.5660	0.167	2	121.5660	0.167	2	119.1737	7.788	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	4:3:3:	3:3:	N-2:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[6a]C[6a]2)(CCO)	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	119.1737	7.788	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:1:	4:3:3:	3:3:	N-2:C-3:O-1:	P-4:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CCP)(O)	C(PC[6a]3)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCP)(O)	C(PC[6a]3)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)	116.3910	0.000	1	116.3910	0.000	1	116.3910	0.000	1	119.1737	7.788	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	2:3:3:	3:2:	C-2:C-3:N-2:	C-2:C-3:C-3:	C-3:N-2:	C(CN[6])(CCC)(NN)	C(CC[6])(CCN)(CNO)	N(CCC)(NN)	C(CN[6])(CCC)(NN)	C(CC[6])(CCN)(CNO)	N(CCC)(NN)	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	112.5920	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	3:3:1:	3:3:	N-2:C-3:C-2:	C-3:C-3:O-1:	C[6a]-3:C-3:	C(NC[6a])(CCO)(CN)	C(CCH)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CCO)(CN)	C(CCH)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	119.8520	0.000	1	119.8520	0.000	1	119.8520	0.000	1	117.8164	1.990	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	3:3:1:	3:3:	N-2:C-3:N-2:	C-3:C-3:H-1:	C-3:C-3:	C(NC[6a])(CCH)(NC)	C(CC[6a]H)(CNN)(H)	N(CCC)(CCN)	C(NC[6a])(CCH)(NC)	C(CC[6a]H)(CNN)(H)	N(CCC)(CCN)	116.1880	0.000	1	116.1880	0.000	1	117.3450	2.677	2	117.8164	1.990	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	3:3:1:	3:3:	N-2:C-3:N-2:	C-3:C-3:H-1:	C-3:C-3:	C(NN[6])(CCH)(NC)	C(CC[6a]H)(CNN)(H)	N(CC[6a]2)(CCN)	C(NN[6])(CCH)(NC)	C(CC[6a]H)(CNN)(H)	N(CC[6a]2)(CCN)	118.5020	0.000	1	118.5020	0.000	1	117.3450	2.677	2	117.8164	1.990	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	3:3:1:	3:3:	N-2:C-3:N-2:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CCH)(NC)	C(CC[6a]H)(CNN)(H)	N(C[6a]C[6a]2)(CCN)	C(NC[6a])(CCH)(NC)	C(CC[6a]H)(CNN)(H)	N(C[6a]C[6a]2)(CCN)	117.0470	0.000	1	117.0470	0.000	1	117.0470	0.000	1	117.8164	1.990	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	3:3:1:	3:3:	N-2:C-3:N-2:	C-3:C-3:H-1:	N[6]-3:C-3:	C(NN[6])(CCH)(NC)	C(CC[6a]H)(CNN)(H)	N(N[6]C[6]2)(CCN)	C(NN[6])(CCH)(NC)	C(CC[6a]H)(CNN)(H)	N(N[6]C[6]2)(CCN)	117.4930	0.000	1	117.4930	0.000	1	117.4930	0.000	1	117.8164	1.990	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	3:3:3:	3:3:	N-2:C-3:S-2:	C-3:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CCC)(SC)	C(CC[6a]O)(CCO)(CNS)	N(C[6a]C[6a]2)(CCS)	C(NC[6a])(CCC)(SC)	C(CC[6a]O)(CCO)(CNS)	N(C[6a]C[6a]2)(CCS)	121.1230	0.000	1	121.1230	0.000	1	121.1230	0.000	1	121.1230	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	3:4:3:	3:3:	N-2:C-3:O-2:	N-3:C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(CCN)(ONi)	C(NC[6a]Ni)(CCCH)(CNO)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCN)(ONi)	C(NC[6a]Ni)(CCCH)(CNO)	N(C[6a]C[6a]2)(CCO)	118.1420	0.000	1	118.1420	0.000	1	116.9093	1.246	4	116.9093	1.246	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	3:4:3:	3:3:	N-2:C-3:O-2:	N-3:C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(CCN)(ONi)	C(NC[6a]Ni)(CCHH)(CNO)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCN)(ONi)	C(NC[6a]Ni)(CCHH)(CNO)	N(C[6a]C[6a]2)(CCO)	116.4983	0.925	3	116.4983	0.855	3	116.9093	1.246	4	116.9093	1.246	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	4:3:1:	4:3:	N-2:C-3:C-2:	C-4:C-3:O-1:	C[5,6]-4:C-3:	C(NC[5,6])(CCO)(CN)	C(CC3)(CCN)(O)	N(C[5,6]C[5,6]C[6]O[5])(CCC)	C(NC[5,6])(CCO)(CN)	C(CC3)(CCN)(O)	N(C[5,6]C[5,6]C[6]O[5])(CCC)	122.4210	0.000	1	122.4210	0.000	1	122.4210	0.000	1	122.4210	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	4:3:3:	3:3:	N-2:C-3:O-2:	P-4:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CCP)(OH)	C(PO3)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCP)(OH)	C(PO3)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)	123.7385	0.395	2	123.7385	0.156	2	123.7385	0.156	2	121.4793	15.390	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:2:	4:3:3:	3:3:	N-2:C-3:S-2:	Si-4:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CSiC)(SU)	C(SiC3)(CCU)(CNS)	N(C[6a]C[6a]2)(CCS)	C(NC[6a])(CSiC)(SU)	C(SiC3)(CCU)(CNS)	N(C[6a]C[6a]2)(CCS)	116.9610	0.000	1	116.9610	0.000	1	116.9610	0.000	1	121.4793	15.390	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:3:	2:3:3:	3:3:	N-2:C-3:N-3:	N-2:C-3:N-3:	C[6a]-3:C-3:	C(NC[6a])(CNN)(NCH)	C(NC[6a])(CNN)(NCH)	N(C[6a]C[6a]2)(CCN)	C(NC[6a])(CNN)(NCH)	C(NC[6a])(CNN)(NCH)	N(C[6a]C[6a]2)(CCN)	126.6840	0.192	2	126.6840	0.037	2	126.6840	0.037	2	126.6840	0.037	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:3:	3:2:1:	3:3:	N-2:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:	C(NC[6a])(CCP)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]N[6a])(CCC)	C(NC[6a])(CCP)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]N[6a])(CCC)	122.2710	0.928	2	122.2710	0.861	2	122.2710	0.861	2	122.2710	0.861	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:3:	3:3:1:	3:3:	N-2:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CCH)(CNO)	C(CCH)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CCH)(CNO)	C(CCH)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	124.0590	0.000	1	124.0590	0.000	1	124.0590	0.000	1	121.9843	30.247	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:3:	3:3:1:	3:3:	N-2:C-3:C-3:	N-3:C-3:O-1:	C[6a]-3:C-3:	C(NC[6a])(CCH)(CNO)	C(NC[6a]H)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CCH)(CNO)	C(NC[6a]H)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	115.7490	0.000	1	115.7490	0.000	1	120.9470	54.038	2	121.9843	30.247	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:3:	3:3:1:	3:3:	N-2:C-3:C-3:	N-3:C-3:O-1:	C[6a]-3:C-3:	C(NC[6a])(CCO)(CNO)	C(NC[6a]H)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CCO)(CNO)	C(NC[6a]H)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	126.1450	0.000	1	126.1450	0.000	1	120.9470	54.038	2	121.9843	30.247	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:3:	3:3:1:	4:3:	N-2:C-3:N-3:	C-3:C-3:H-1:	C[6]-4:C-3:	C(NC[6])(CCH)(NHH)	C(CNN)2(H)	N(C[6]C[6]2H)(CCN)	C(NC[6])(CCH)(NHH)	C(CNN)2(H)	N(C[6]C[6]2H)(CCN)	124.9710	0.000	1	124.9710	0.000	1	124.9710	0.000	1	124.9710	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:3:	4:3:1:	3:3:	N-2:C-3:N-3:	C-4:C-3:O-1:	C[6a]-3:C-3:	C(NC[6a])(CCO)(NCS)	C(CC3)(CNN)(O)	N(C[6a]C[6a]2)(CCN)	C(NC[6a])(CCO)(NCS)	C(CC3)(CNN)(O)	N(C[6a]C[6a]2)(CCN)	124.1010	0.000	1	124.1010	0.000	1	124.1010	0.000	1	124.1010	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:3:	4:3:3:	3:3:	N-2:C-3:C-3:	P-4:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CCP)(COO)	C(PC[6a]3)(CCN)(COO)	N(C[6a]C[6a]N[6a])(CCC)	C(NC[6a])(CCP)(COO)	C(PC[6a]3)(CCN)(COO)	N(C[6a]C[6a]N[6a])(CCC)	120.0780	1.676	2	120.0780	2.808	2	120.0780	2.808	2	120.0780	2.808	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:3:3:	7:3:1:	3:3:	N-2:C-3:C-3:	C-7:C-3:O-1:	C[6a]-3:C-3:	C(NC[6a])(CCO)(CNO)	C(CH6)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CCO)(CNO)	C(CH6)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	118.6270	0.000	1	118.6270	0.000	1	118.6270	0.000	1	118.6270	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	2:4:3:	3:3:	N-2:C-4:C-3:	N-2:C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(CF3)(CCN)	C(NC[6a])(CF3)(CCN)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CF3)(CCN)	C(NC[6a])(CF3)(CCN)	N(C[6a]C[6a]2)(CCC)	127.7460	1.375	2	127.7460	1.890	2	117.0444	9.835	27	117.0444	9.835	27	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	2:4:3:	3:3:	N-2:C-4:C-3:	N-2:C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCN)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a,6a]C[6a])(CCC)	C(NC[6a])(CH3)(CCN)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a,6a]C[6a])(CCC)	116.6225	0.151	2	116.6225	0.023	2	117.0444	9.835	27	117.0444	9.835	27	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	2:4:3:	3:3:	N-2:C-4:C-3:	N-2:C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCN)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCN)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	116.1505	0.523	23	116.1505	0.273	23	117.0444	9.835	27	117.0444	9.835	27	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:2:1:	3:3:	N-2:C-4:C-3:	C-3:O-2:O-1:	N[5a]-3:C-3:	C(NN[5a])(CCHH)(COO)	C(CCN)(OC)(O)	N(N[5a]C[5a]2)(CCC)	C(NN[5a])(CCHH)(COO)	C(CCN)(OC)(O)	N(N[5a]C[5a]2)(CCC)	114.1950	0.000	1	114.1950	0.000	1	114.1950	0.000	1	114.1950	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CC3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CC3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(CCC)	123.7710	0.000	1	123.7710	0.000	1	122.0684	4.590	38	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CCCH)(CCH)	C(CC[6a]H)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CCCH)(CCH)	C(CC[6a]H)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	123.3960	0.373	2	123.3960	0.139	2	122.0684	4.590	38	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CCHH)(CCH)	C(CC[6a]H)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CCHH)(CCH)	C(CC[6a]H)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	116.2150	0.000	1	116.2150	0.000	1	122.0684	4.590	38	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CF3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CF3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(CCC)	121.3470	0.000	1	121.3470	0.000	1	122.0684	4.590	38	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a]2)(CCC)	121.9017	0.761	3	121.9017	0.579	3	122.0684	4.590	38	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(CCC)	122.1890	1.938	27	122.1890	3.756	27	122.0684	4.590	38	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCH)	C(CC[5]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCH)	C(CC[5]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	119.6010	0.000	1	119.6010	0.000	1	122.0684	4.590	38	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCH)	C(CC[6a]N)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCH)	C(CC[6a]N)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	119.7710	0.000	1	119.7710	0.000	1	122.0684	4.590	38	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	126.2930	0.000	1	126.2930	0.000	1	122.0684	4.590	38	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	N[5a]-3:C-3:	C(NN[5a])(CH3)(CCH)	C(CCN)2(H)	N(N[5a]C[5a]N[5a])(CCC)	C(NN[5a])(CH3)(CCH)	C(CCN)2(H)	N(N[5a]C[5a]N[5a])(CCC)	132.1400	0.000	1	132.1400	0.000	1	132.1400	0.000	1	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:O-1:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCO)	C(CCN)2(O)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCO)	C(CCN)2(O)	N(C[6a]C[6a]2)(CCC)	114.3710	0.611	2	114.3710	0.373	2	114.3710	0.373	2	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	3:3:	N-2:C-4:C-3:	C-3:C-3:O-1:	N[6]-3:C-3:	C(NN[6])(CH3)(CCO)	C(CCH)(CCN)(O)	N(N[6]C[6]2)(CCC)	C(NN[6])(CH3)(CCO)	C(CCH)(CCN)(O)	N(N[6]C[6]2)(CCC)	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	121.7171	11.559	42	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	4:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6]-4:C-3:	C(NC[6])(CC3)(CCH)	C(CCN)2(H)	N(C[6]C[6]2Co)(CCC)	C(NC[6])(CC3)(CCH)	C(CCN)2(H)	N(C[6]C[6]2Co)(CCC)	132.2970	0.000	1	132.2970	0.000	1	122.1121	20.691	7	122.1121	20.691	7	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	4:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6]-4:C-3:	C(NC[6])(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6]C[6]2H)(CCC)	C(NC[6])(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6]C[6]2H)(CCC)	120.4613	1.002	4	120.4613	1.005	4	122.1121	20.691	7	122.1121	20.691	7	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:1:	4:3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C[6]-4:C-3:	C(NC[6])(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6]C[6]2H)(CCC)	C(NC[6])(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6]C[6]2H)(CCC)	120.3215	0.291	2	120.3215	0.084	2	122.1121	20.691	7	122.1121	20.691	7	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:2:	3:3:	N-2:C-4:C-3:	C-3:C-3:C-2:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCC)	C(CCN)2(CN)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCC)	C(CCN)2(CN)	N(C[6a]C[6a]2)(CCC)	118.8639	0.324	7	118.8639	0.105	7	118.8639	0.105	7	118.3472	1.471	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:2:	3:3:	N-2:C-4:C-3:	C-3:C-3:N-2:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCN)	C(CCN)2(NO)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCN)	C(CCN)2(NO)	N(C[6a]C[6a]2)(CCC)	116.2420	1.254	2	116.2420	1.574	2	116.5297	1.035	3	118.3472	1.471	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:2:	3:3:	N-2:C-4:C-3:	C-3:C-3:N-2:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCN)	C(CC[6a]O)(CCN)(NN)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCN)	C(CC[6a]O)(CCN)(NN)	N(C[6a]C[6a]2)(CCC)	117.1050	0.000	1	117.1050	0.000	1	116.5297	1.035	3	118.3472	1.471	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:2:	3:3:	N-2:C-4:C-3:	C-3:C-3:S-2:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCS)	C(CCN)2(SS)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCS)	C(CCN)2(SS)	N(C[6a]C[6a]2)(CCC)	119.2655	0.132	2	119.2655	0.017	2	119.2655	0.017	2	118.3472	1.471	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:3:	3:3:	N-2:C-4:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CF3)(CCC)	C(CC[6a]S)(CCN)(COO)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CF3)(CCC)	C(CC[6a]S)(CCN)(COO)	N(C[6a]C[6a]2)(CCC)	128.8430	0.000	1	128.8430	0.000	1	120.6535	9.286	17	120.2972	8.808	20	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:3:	3:3:	N-2:C-4:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCC)	C(CCC)(CCN)2	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCC)	C(CCC)(CCN)2	N(C[6a]C[6a]2)(CCC)	120.7083	0.600	3	120.7083	0.360	3	120.6535	9.286	17	120.2972	8.808	20	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:3:	3:3:	N-2:C-4:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCC)	C(CCN)(CHN)(COO)	N(C[6a]C[6a,6a]C[6a])(CCC)	C(NC[6a])(CH3)(CCC)	C(CCN)(CHN)(COO)	N(C[6a]C[6a,6a]C[6a])(CCC)	116.8140	0.000	1	116.8140	0.000	1	120.6535	9.286	17	120.2972	8.808	20	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:3:	3:3:	N-2:C-4:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCC)	C(CC[6a]H)(CCN)2	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCC)	C(CC[6a]H)(CCN)2	N(C[6a]C[6a]2)(CCC)	120.3806	3.012	8	120.3806	9.070	8	120.6535	9.286	17	120.2972	8.808	20	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:3:	3:3:	N-2:C-4:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCC)	C(CC[6a]O)(CCN)2	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCC)	C(CC[6a]O)(CCN)2	N(C[6a]C[6a]2)(CCC)	120.0705	0.443	4	120.0705	0.196	4	120.6535	9.286	17	120.2972	8.808	20	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:3:	3:3:	N-2:C-4:C-3:	N-3:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCN)	C(NC[6a]H)(CCH)(CCN)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCN)	C(NC[6a]H)(CCH)(CCN)	N(C[6a]C[6a]2)(CCC)	116.5670	0.000	1	116.5670	0.000	1	117.8635	3.362	2	120.2972	8.808	20	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:3:	3:3:	N-2:C-4:C-3:	N-3:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCN)	C(NCuO)(CCN)2	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCN)	C(NCuO)(CCN)2	N(C[6a]C[6a]2)(CCC)	119.1600	0.000	1	119.1600	0.000	1	117.8635	3.362	2	120.2972	8.808	20	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:3:3:	3:3:	N-2:C-4:C-3:	P-3:C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCP)	C(PC[6a]2)(CCN)2	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCP)	C(PC[6a]2)(CCN)2	N(C[6a]C[6a]2)(CCC)	119.1080	0.000	1	119.1080	0.000	1	119.1080	0.000	1	120.2972	8.808	20	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	3:4:3:	3:3:	N-2:C-4:C-3:	N-3:C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCN)	C(NC[6a]Ga)(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCN)	C(NC[6a]Ga)(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	115.2280	0.294	2	115.2280	0.087	2	115.2280	0.087	2	115.2280	0.087	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	4:3:1:	3:3:	N-2:C-4:C-3:	C-4:C-3:O-1:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCO)	C(CH3)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCO)	C(CH3)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	116.4440	0.000	1	116.4440	0.000	1	116.4440	0.000	1	117.8040	3.560	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	4:3:1:	3:3:	N-2:C-4:C-3:	P-4:C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CHP)	C(PC[6a]3)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CHP)	C(PC[6a]3)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	118.2573	2.027	3	118.2573	4.107	3	118.2573	4.107	3	117.8040	3.560	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	2:4:3:	4:3:2:	3:3:	N-2:C-4:C-3:	C-4:C-3:N-2:	C[6a]-3:C-3:	C(NC[6a])(CH3)(CCN)	C(CH3)(CCN)(NN)	N(C[6a]C[6a]2)(CCC)	C(NC[6a])(CH3)(CCN)	C(CH3)(CCN)(NN)	N(C[6a]C[6a]2)(CCC)	116.1120	0.174	2	116.1120	0.030	2	116.1120	0.030	2	116.1120	0.030	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	2:2:3:	3:3:	C-3:N-2:H-1:	S-2:S-2:C-3:	C-3:C-3:	C(CSS)(NC)(H)	C(SC[6a])2(CHN)	N(CC[6a]2)(CCH)	C(CSS)(NC)(H)	C(SC[6a])2(CHN)	N(CC[6a]2)(CCH)	119.2710	0.000	1	119.2710	0.000	1	119.2710	0.000	1	119.2710	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	2:3:1:	3:3:	C-3:N-2:H-1:	N-2:C-3:H-1:	C-3:N-3:	C(CHN)(NN)(H)	C(NN[5a])(CHN)(H)	N(CCH)(NHS)	C(CHN)(NN)(H)	C(NN[5a])(CHN)(H)	N(CCH)(NHS)	121.5650	0.000	1	121.5650	0.000	1	121.5650	0.000	1	119.6200	7.566	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	2:3:1:	3:3:	C-3:N-2:H-1:	O-2:C-3:O-1:	N-3:C-3:	C(COO)(NN)(H)	C(OC[6a])(CHN)(O)	N(NCoC)(CCH)	C(COO)(NN)(H)	C(OC[6a])(CHN)(O)	N(NCoC)(CCH)	117.6750	0.000	1	117.6750	0.000	1	117.6750	0.000	1	119.6200	7.566	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	2:3:3:	4:3:	C-3:N-2:H-1:	S-2:C-3:C-3:	S-4:C-3:	C(CCS)(NS)(H)	C(SC[6a])(CCH)(CHN)	N(SC[6a]OO)(CCH)	C(CCS)(NS)(H)	C(SC[6a])(CCH)(CHN)	N(SC[6a]OO)(CCH)	122.4990	0.000	1	122.4990	0.000	1	122.4990	0.000	1	122.4990	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:1:1:	3:2:	C-3:N-2:O-1:	C-3:C-1:C-1:	C-3:C-2:	C(CCC)(NC)(O)	C(CNO)(C)2	N(CCO)(CC)	C(CCC)(NC)(O)	C(CNO)(C)2	N(CCO)(CC)	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:1:1:	3:3:	C-3:N-2:H-1:	C-3:Br-1:Br-1:	C-3:C-3:	C(CBr2)(NC)(H)	C(CHN)(Br)2	N(CC[6a]C)(CCH)	C(CBr2)(NC)(H)	C(CHN)(Br)2	N(CC[6a]C)(CCH)	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	116.9693	7.333	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:1:1:	3:3:	C-3:N-2:H-1:	C-3:H-1:O-1:	N-3:C-3:	C(CHO)(NN)(H)	C(CHN)(H)(O)	N(NC[6a]H)(CCH)	C(CHO)(NN)(H)	C(CHN)(H)(O)	N(NC[6a]H)(CCH)	115.4425	0.824	2	115.4425	0.679	2	115.4425	0.679	2	116.9693	7.333	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	2:3:	C-3:N-2:H-1:	C-3:N-2:H-1:	Se-2:C-3:	C(CHN)(NSe)(H)	C(CHN)(NC)(H)	N(SeC[5])(CCH)	C(CHN)(NSe)(H)	C(CHN)(NC)(H)	N(SeC[5])(CCH)	123.5940	0.000	1	123.5940	0.000	1	123.5940	0.000	1	123.5940	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:2:	C-3:N-2:F-1:	C-3:C-2:F-1:	C-3:C-2:	C(CCF)(NC)(F)	C(CFN)(CC)(F)	N(CCF)(CCr)	C(CCF)(NC)(F)	C(CFN)(CC)(F)	N(CCF)(CCr)	126.3790	0.000	1	126.3790	0.000	1	126.3790	0.000	1	122.7751	11.238	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:2:	C-3:N-2:H-1:	C-3:N-2:H-1:	C-3:Se-2:	C(CHN)(NSe)(H)	C(CHN)(NC)(H)	N(CCH)(SeP)	C(CHN)(NSe)(H)	C(CHN)(NC)(H)	N(CCH)(SeP)	125.4287	1.922	3	125.4287	3.694	3	125.4287	3.694	3	122.7751	11.238	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:2:	C-3:N-2:H-1:	C-3:O-2:O-1:	C-3:N-2:	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(CCH)(NC)	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(CCH)(NC)	121.5270	0.000	1	121.5270	0.000	1	119.8840	1.244	4	122.7751	11.238	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:2:	C-3:N-2:H-1:	C-3:O-2:O-1:	C-3:N-2:	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(CCH)(NP)	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(CCH)(NP)	119.3363	0.258	3	119.3363	0.067	3	119.8840	1.244	4	122.7751	11.238	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:Br-1:	C-3:O-2:O-1:	C-3:N-3:	C(COO)(NN)(Br)	C(CBrN)(OC)(O)	N(CBrC)(NCH)	C(COO)(NN)(Br)	C(CBrN)(OC)(O)	N(CBrC)(NCH)	122.5450	0.000	1	122.5450	0.000	1	122.5450	0.000	1	119.8027	2.682	14	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:Cl-1:	C-3:O-2:O-1:	N-3:C-3:	C(COO)(NN)(Cl)	C(CClN)(OC)(O)	N(NC[6a]H)(CClC)	C(COO)(NN)(Cl)	C(CClN)(OC)(O)	N(NC[6a]H)(CClC)	121.5178	0.825	4	121.5178	0.680	4	121.5178	0.680	4	119.8027	2.682	14	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C-3:N-3:	C(CHN)(NN)(H)	C(CHN)(NN)(H)	N(CCH)(NCC)	C(CHN)(NN)(H)	C(CHN)(NN)(H)	N(CCH)(NCC)	117.9630	0.000	1	117.9630	0.000	1	118.3823	0.144	3	119.8027	2.682	14	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C-3:N-3:	C(CHN)(NN)(H)	C(CHN)(NN)(H)	N(CCH)(NCH)	C(CHN)(NN)(H)	C(CHN)(NN)(H)	N(CCH)(NCH)	118.5920	0.154	2	118.5920	0.024	2	118.3823	0.144	3	119.8027	2.682	14	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	C-3:N-2:H-1:	N-3:C-3:	C(CHN)(NN)(H)	C(CHN)(NN)(H)	N(NC[6a]2)(CCH)	C(CHN)(NN)(H)	C(CHN)(NN)(H)	N(NC[6a]2)(CCH)	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	119.8027	2.682	14	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	C-3:O-2:O-1:	C-3:N-3:	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(CCH)(NBP)	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(CCH)(NBP)	119.5100	0.000	1	119.5100	0.000	1	118.6997	0.812	3	119.8027	2.682	14	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	C-3:O-2:O-1:	C-3:N-3:	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(CCH)(NCC)	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(CCH)(NCC)	117.7290	0.000	1	117.7290	0.000	1	118.6997	0.812	3	119.8027	2.682	14	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	C-3:O-2:O-1:	C-3:N-3:	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(CCH)(NHP)	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(CCH)(NHP)	118.8600	0.000	1	118.8600	0.000	1	118.6997	0.812	3	119.8027	2.682	14	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	C-3:O-2:O-1:	N-3:C-3:	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(NFeP)(CCH)	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(NFeP)(CCH)	118.6980	0.000	1	118.6980	0.000	1	119.2045	0.513	2	119.8027	2.682	14	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	C-3:O-2:O-1:	N-3:C-3:	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(NRu2)(CCH)	C(COO)(NN)(H)	C(CHN)(OC)(O)	N(NRu2)(CCH)	119.7110	0.000	1	119.7110	0.000	1	119.2045	0.513	2	119.8027	2.682	14	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	4:3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C-4:C-3:	C(CHN)(NC)(H)	C(CHN)(NC)(H)	N(CCCH)(CCH)	C(CHN)(NC)(H)	C(CHN)(NC)(H)	N(CCCH)(CCH)	119.8847	0.590	4	119.8847	0.348	4	119.1550	3.690	15	118.5533	6.115	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	4:3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C-4:C-3:	C(CHN)(NC)(H)	C(CHN)(NC)(H)	N(CCHH)(CCH)	C(CHN)(NC)(H)	C(CHN)(NC)(H)	N(CCHH)(CCH)	120.4503	0.878	6	120.4503	0.771	6	119.1550	3.690	15	118.5533	6.115	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	4:3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C-4:C-3:	C(CHN)(NC)(H)	C(CHN)(NC)(H)	N(CC[6a]2H)(CCH)	C(CHN)(NC)(H)	C(CHN)(NC)(H)	N(CC[6a]2H)(CCH)	119.3740	0.000	1	119.3740	0.000	1	119.1550	3.690	15	118.5533	6.115	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	4:3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C-4:C-3:	C(CHN)(NC)(H)	C(CHN)(NSe)(H)	N(CC3)(CCH)	C(CHN)(NC)(H)	C(CHN)(NSe)(H)	N(CC3)(CCH)	116.4275	1.260	4	116.4275	1.588	4	119.1550	3.690	15	118.5533	6.115	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:1:	4:3:	C-3:N-2:O-1:	C-3:N-2:O-1:	C-4:C-3:	C(CNO)(NC)(O)	C(CNO)(NC)(O)	N(CCHH)(CCO)	C(CNO)(NC)(O)	C(CNO)(NC)(O)	N(CCHH)(CCO)	114.0405	0.134	2	114.0405	0.018	2	114.0405	0.018	2	118.5533	6.115	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:2:	3:1:	C-3:N-2:O-1:	C-3:C-2:C-2:	C-3:H-1:	C(CCC)(NH)(O)	C(CNO)(CN)2	N(CCO)(H)	C(CCC)(NH)(O)	C(CNO)(CN)2	N(CCO)(H)	118.9427	0.720	4	118.9427	0.518	4	118.9427	0.518	4	118.9427	0.518	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:2:2:	3:2:	C-3:N-2:H-1:	C-3:O-2:O-2:	C-3:N-2:	C(COO)(NN)(H)	C(CHN)(OB)(OC)	N(CCH)(NP)	C(COO)(NN)(H)	C(CHN)(OB)(OC)	N(CCH)(NP)	117.7310	0.000	1	117.7310	0.000	1	117.7310	0.000	1	117.7310	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	2:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	N-2:C-3:	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(NC[6])(CCH)	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(NC[6])(CCH)	120.4997	2.726	3	120.4997	7.433	3	120.4997	7.433	3	120.4997	7.433	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:1:	C-3:N-2:H-1:	C-3:C-3:O-1:	C-3:N-1:	C(CCO)(NN)(H)	C(CHN)(CNO)(O)	N(CCH)(N)	C(CCO)(NN)(H)	C(CHN)(CNO)(O)	N(CCH)(N)	116.8050	0.000	1	116.8050	0.000	1	116.8050	0.000	1	115.5215	8.003	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:1:	C-3:N-2:H-1:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(CC[6a]O)(NN)(H)	C(C[6a]C[6a]2)(CHN)(O)	N(CCH)(N)	C(CC[6a]O)(NN)(H)	C(C[6a]C[6a]2)(CHN)(O)	N(CCH)(N)	114.3670	0.724	2	114.3670	0.524	2	114.3670	0.524	2	115.5215	8.003	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:1:	C-3:N-2:H-1:	N[6]-3:C-3:O-1:	C-3:N-1:	C(CN[6]O)(NN)(H)	C(N[6]C[6]2)(CHN)(O)	N(CCH)(N)	C(CN[6]O)(NN)(H)	C(N[6]C[6]2)(CHN)(O)	N(CCH)(N)	114.4965	0.258	2	114.4965	0.067	2	114.4965	0.067	2	115.5215	8.003	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:1:	C-3:N-2:O-1:	C-3:C-3:H-1:	C-3:H-1:	C(CCH)(NH)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(H)	C(CCH)(NH)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(H)	117.6640	0.000	1	117.6640	0.000	1	117.6640	0.000	1	115.5215	8.003	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:1:	C-3:N-2:O-1:	C-3:N-3:H-1:	C-3:H-1:	C(CHN)(NH)(O)	C(CNO)(NOO)(H)	N(CCO)(H)	C(CHN)(NH)(O)	C(CNO)(NOO)(H)	N(CCO)(H)	120.6780	0.000	1	120.6780	0.000	1	120.6780	0.000	1	115.5215	8.003	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:1:	C-3:N-2:O-1:	C[5a]-3:C-3:O-1:	C-3:H-1:	C(CC[5a]O)(NH)(O)	C(C[5a]C[5a]O[5a])(CNO)(O)	N(CCO)(H)	C(CC[5a]O)(NH)(O)	C(C[5a]C[5a]O[5a])(CNO)(O)	N(CCO)(H)	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	115.5215	8.003	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:2:	C-3:N-2:F-1:	C[6a]-3:C-3:F-1:	C-3:C-2:	C(CC[6a]F)(NC)(F)	C(C[6a]C[6a]2)(CFN)(F)	N(CCF)(CCr)	C(CC[6a]F)(NC)(F)	C(C[6a]C[6a]2)(CFN)(F)	N(CCF)(CCr)	125.2000	0.000	1	125.2000	0.000	1	125.2000	0.000	1	121.2382	18.706	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:2:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:N-2:	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	N(CCH)(NN)	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	N(CCH)(NN)	121.1680	0.000	1	121.1680	0.000	1	121.0965	0.047	4	121.2382	18.706	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:2:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:N-2:	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(CCH)(NC)	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(CCH)(NC)	121.0727	0.260	3	121.0727	0.068	3	121.0965	0.047	4	121.2382	18.706	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:2:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:O-2:	C(CCH)(NO)(H)	C(CC[5a]H)(CHN)(H)	N(CCH)(OC)	C(CCH)(NO)(H)	C(CC[5a]H)(CHN)(H)	N(CCH)(OC)	131.1620	0.000	1	131.1620	0.000	1	128.2737	6.431	3	121.2382	18.706	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:2:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:O-2:	C(CCH)(NO)(H)	C(CC[6a]H)(CHN)(H)	N(CCH)(OH)	C(CCH)(NO)(H)	C(CC[6a]H)(CHN)(H)	N(CCH)(OH)	126.8295	0.590	2	126.8295	0.349	2	128.2737	6.431	3	121.2382	18.706	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:2:	C-3:N-2:H-1:	C-3:N-3:H-1:	C-3:C-2:	C(CHN)(NC)(H)	C(CHN)(NCC)(H)	N(CCH)(CC)	C(CHN)(NC)(H)	C(CHN)(NCC)(H)	N(CCH)(CC)	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	121.2382	18.706	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:2:	C-3:N-2:H-1:	C[5]-3:C-3:O-1:	C-3:O-2:	C(CC[5]O)(NO)(H)	C(C[5]N[5]2)(CHN)(O)	N(CCH)(OC)	C(CC[5]O)(NO)(H)	C(C[5]N[5]2)(CHN)(O)	N(CCH)(OC)	116.2470	0.000	1	116.2470	0.000	1	116.2470	0.000	1	121.2382	18.706	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:2:	C-3:N-2:H-1:	C[5a]-3:C-3:O-1:	C-3:O-2:	C(CC[5a]O)(NO)(H)	C(C[5a]N[5a]2)(CHN)(O)	N(CCH)(OC)	C(CC[5a]O)(NO)(H)	C(C[5a]N[5a]2)(CHN)(O)	N(CCH)(OC)	116.9570	0.000	1	116.9570	0.000	1	116.9570	0.000	1	121.2382	18.706	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:2:	C-3:N-2:H-1:	C[6a]-3:C-3:O-1:	C-3:O-2:	C(CC[6a]O)(NO)(H)	C(C[6a]C[6a]2)(CHN)(O)	N(CCH)(OC)	C(CC[6a]O)(NO)(H)	C(C[6a]C[6a]2)(CHN)(O)	N(CCH)(OC)	116.4690	0.000	1	116.4690	0.000	1	118.4695	8.004	2	121.2382	18.706	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:2:	C-3:N-2:H-1:	C[6a]-3:C-3:O-1:	C-3:O-2:	C(CC[6a]O)(NO)(H)	C(C[6a]C[6a]2)(CHN)(O)	N(CCH)(OH)	C(CC[6a]O)(NO)(H)	C(C[6a]C[6a]2)(CHN)(O)	N(CCH)(OH)	120.4700	0.000	1	120.4700	0.000	1	118.4695	8.004	2	121.2382	18.706	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:2:	C-3:N-2:H-1:	N-3:C-3:O-1:	C-3:O-2:	C(CNO)(NO)(H)	C(NC[6a]H)(CHN)(O)	N(CCH)(OH)	C(CNO)(NO)(H)	C(NC[6a]H)(CHN)(O)	N(CCH)(OH)	118.0053	1.641	3	118.0053	2.692	3	118.0053	2.692	3	121.2382	18.706	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:C-3:	C(CCH)(NC)(H)	C(CCH)(CHN)(H)	N(CCH)(CCN)	C(CCH)(NC)(H)	C(CCH)(CHN)(H)	N(CCH)(CCN)	128.4580	0.000	1	128.4580	0.000	1	123.3372	12.415	4	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:C-3:	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	N(CCC)(CCH)	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	N(CCC)(CCH)	121.6303	1.068	3	121.6303	1.142	3	123.3372	12.415	4	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:N-3:	C(CCH)(NN)(H)	C(CCC)(CHN)(H)	N(CCH)(NHS)	C(CCH)(NN)(H)	C(CCC)(CHN)(H)	N(CCH)(NHS)	118.9540	0.000	1	118.9540	0.000	1	119.2044	10.425	20	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:N-3:	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	N(CCH)(NCC)	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	N(CCH)(NCC)	117.8020	0.000	1	117.8020	0.000	1	119.2044	10.425	20	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:N-3:	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	N(CCH)(NCH)	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	N(CCH)(NCH)	122.7340	0.000	1	122.7340	0.000	1	119.2044	10.425	20	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:N-3:	C(CCH)(NN)(H)	C(CC[5a]C)(CHN)(H)	N(CCH)(NCH)	C(CCH)(NN)(H)	C(CC[5a]C)(CHN)(H)	N(CCH)(NCH)	121.3570	0.000	1	121.3570	0.000	1	119.2044	10.425	20	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:N-3:	C(CCH)(NN)(H)	C(CC[6a]2)(CHN)(H)	N(CCH)(NHS)	C(CCH)(NN)(H)	C(CC[6a]2)(CHN)(H)	N(CCH)(NHS)	118.8240	0.000	1	118.8240	0.000	1	119.2044	10.425	20	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:N-3:	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(CCH)(NCH)	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(CCH)(NCH)	118.9612	3.565	15	118.9612	12.709	15	119.2044	10.425	20	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	N-3:C-3:	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	N(NC[6a]H)(CCH)	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	N(NC[6a]H)(CCH)	119.3275	2.765	2	119.3275	7.648	2	119.4097	3.175	7	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	N-3:C-3:	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(NC[6]H)(CCH)	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(NC[6]H)(CCH)	118.2065	2.149	2	118.2065	4.618	2	119.4097	3.175	7	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	N-3:C-3:	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(NC[6a]H)(CCH)	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(NC[6a]H)(CCH)	120.7910	0.143	2	120.7910	0.020	2	119.4097	3.175	7	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	N-3:C-3:	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(NFeC)(CCH)	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	N(NFeC)(CCH)	119.2180	0.000	1	119.2180	0.000	1	119.4097	3.175	7	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:I-1:	N-3:C-3:	C(CCI)(NN)(H)	C(CCH)(CHN)(I)	N(NC[6a]H)(CCH)	C(CCI)(NN)(H)	C(CCH)(CHN)(I)	N(NC[6a]H)(CCH)	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:C-3:O-1:	C-3:N-3:	C(CCO)(NN)(H)	C(CC[5]H)(CHN)(O)	N(CCH)(NCC)	C(CCO)(NN)(H)	C(CC[5]H)(CHN)(O)	N(CCH)(NCC)	119.6640	0.000	1	119.6640	0.000	1	119.6640	0.000	1	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:	C(CC[5a]H)(NC)(H)	C(C[5a]C[5a]S[5a])(CHN)(H)	N(CCH)(CCO)	C(CC[5a]H)(NC)(H)	C(C[5a]C[5a]S[5a])(CHN)(H)	N(CCH)(CCO)	124.5670	1.155	2	124.5670	1.335	2	124.5670	1.335	2	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:	C(CC[6a]H)(NC)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CC[6a]2)(CCH)	C(CC[6a]H)(NC)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CC[6a]2)(CCH)	123.0545	0.697	2	123.0545	0.485	2	123.0545	0.485	2	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:C-3:H-1:	N-3:C-3:	C(CHN)(NN)(H)	C(NCoN)(CHN)(H)	N(NCoC)(CCH)	C(CHN)(NN)(H)	C(NCoN)(CHN)(H)	N(NCoC)(CCH)	130.9600	0.788	2	130.9600	0.620	2	130.0266	1.416	5	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:C-3:H-1:	N-3:C-3:	C(CHN)(NN)(H)	C(NNiN)(CHN)(H)	N(NNiC)(CCH)	C(CHN)(NN)(H)	C(NNiN)(CHN)(H)	N(NNiC)(CCH)	129.2510	1.414	2	129.2510	2.000	2	130.0266	1.416	5	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:C-3:H-1:	N-3:C-3:	C(CHN)(NN)(H)	C(NPdN)(CHN)(H)	N(NC[6]Pd)(CCH)	C(CHN)(NN)(H)	C(NPdN)(CHN)(H)	N(NC[6]Pd)(CCH)	129.7110	0.000	1	129.7110	0.000	1	130.0266	1.416	5	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N[5a]-3:C-3:F-1:	C-3:C-3:	C(CN[5a]F)(NC)(H)	C(N[5a]C[5a]2)(CHN)(F)	N(CC[6a]2)(CCH)	C(CN[5a]F)(NC)(H)	C(N[5a]C[5a]2)(CHN)(F)	N(CC[6a]2)(CCH)	120.2710	0.000	1	120.2710	0.000	1	120.2710	0.000	1	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:O-1:	C-3:C-3:H-1:	C-3:C-3:	C(CCH)(NC)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(CNN)	C(CCH)(NC)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(CNN)	113.6090	0.000	1	113.6090	0.000	1	113.6090	0.000	1	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:S-1:	C-3:C-3:H-1:	C-3:C-3:	C(CCH)(NC)(S)	C(CC[6a]S)(CNS)(H)	N(CCS)2	C(CCH)(NC)(S)	C(CC[6a]S)(CNS)(H)	N(CCS)2	119.3780	0.000	1	119.3780	0.000	1	119.3780	0.000	1	121.1876	19.679	45	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	4:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-4:C-3:	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	N(CCHH)(CCH)	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	N(CCHH)(CCH)	120.8100	0.000	1	120.8100	0.000	1	122.4535	1.100	6	120.7555	36.378	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	4:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-4:C-3:	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	N(CC[6a]2H)(CCH)	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	N(CC[6a]2H)(CCH)	123.0890	0.717	3	123.0890	0.514	3	122.4535	1.100	6	120.7555	36.378	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	4:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-4:C-3:	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	N(CC[6a]CH)(CCH)	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	N(CC[6a]CH)(CCH)	122.8340	0.000	1	122.8340	0.000	1	122.4535	1.100	6	120.7555	36.378	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	4:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-4:C-3:	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	N(CC[6a]HH)(CCH)	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	N(CC[6a]HH)(CCH)	121.8100	0.000	1	121.8100	0.000	1	122.4535	1.100	6	120.7555	36.378	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	4:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	S-4:C-3:	C(CCH)(NS)(H)	C(CHN)2(H)	N(SC[6a]OO)(CCH)	C(CCH)(NS)(H)	C(CHN)2(H)	N(SC[6a]OO)(CCH)	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	120.7555	36.378	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	4:3:	C-3:N-2:H-1:	C-3:C-3:H-1:	Si-4:C-3:	C(CCH)(NSi)(H)	C(CCN)(CHN)(H)	N(SiSi2C)(CCH)	C(CCH)(NSi)(H)	C(CCN)(CHN)(H)	N(SiSi2C)(CCH)	133.0940	0.000	1	133.0940	0.000	1	133.0940	0.000	1	120.7555	36.378	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	4:3:	C-3:N-2:H-1:	C[6a]-3:C-3:H-1:	S-4:C-3:	C(CC[6a]H)(NS)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(SC[6a]N[6]O)(CCH)	C(CC[6a]H)(NS)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(SC[6a]N[6]O)(CCH)	122.2160	0.000	1	122.2160	0.000	1	122.2160	0.000	1	120.7555	36.378	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	4:3:	C-3:N-2:O-1:	C-3:C-3:H-1:	C-4:C-3:	C(CCH)(NC)(O)	C(CCH)(CNO)(H)	N(CC[6]CH)(CCO)	C(CCH)(NC)(O)	C(CCH)(CNO)(H)	N(CC[6]CH)(CCO)	111.7980	0.000	1	111.7980	0.000	1	111.7980	0.000	1	120.7555	36.378	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	4:3:	C-3:N-2:O-1:	C[5a]-3:C-3:O-1:	C-4:C-3:	C(CC[5a]O)(NC)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CC[6a]HH)(CCO)	C(CC[5a]O)(NC)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CC[6a]HH)(CCO)	112.9010	0.000	1	112.9010	0.000	1	112.9010	0.000	1	120.7555	36.378	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:1:	4:3:	C-3:N-2:O-1:	C[6a]-3:C-3:O-1:	S-4:C-3:	C(CC[6a]O)(NS)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(SCCO)(CCO)	C(CC[6a]O)(NS)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(SCCO)(CCO)	111.9090	0.000	1	111.9090	0.000	1	111.9090	0.000	1	120.7555	36.378	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	3:2:	C-3:N-2:H-1:	C-3:N-3:N-2:	C-3:O-2:	C(CNN)(NO)(H)	C(CHN)(NCH)(NO)	N(CCH)(OH)	C(CNN)(NO)(H)	C(CHN)(NCH)(NO)	N(CCH)(OH)	124.8890	0.000	1	124.8890	0.000	1	124.8890	0.000	1	120.6275	4.313	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	3:2:	C-3:N-2:H-1:	C[6a]-3:C-3:N-2:	C-3:O-2:	C(CC[6a]N)(NO)(H)	C(C[6a]C[6a]2)(CHN)(NN)	N(CCH)(OH)	C(CC[6a]N)(NO)(H)	C(C[6a]C[6a]2)(CHN)(NN)	N(CCH)(OH)	121.2464	1.015	7	121.2464	1.030	7	121.2464	1.030	7	120.6275	4.313	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	3:2:	C-3:N-2:H-1:	N-3:C-3:N-2:	C-3:O-2:	C(CNN)(NO)(H)	C(NC[6a]H)(CHN)(NO)	N(CCH)(OH)	C(CNN)(NO)(H)	C(NC[6a]H)(CHN)(NO)	N(CCH)(OH)	117.3610	0.000	1	117.3610	0.000	1	117.3610	0.000	1	120.6275	4.313	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	3:2:	C-3:N-2:H-1:	N[5a]-3:C-3:N-2:	C-3:O-2:	C(CN[5a]N)(NO)(H)	C(N[5a]C[5a]N[5a])(CHN)(NO)	N(CCH)(OH)	C(CN[5a]N)(NO)(H)	C(N[5a]C[5a]N[5a])(CHN)(NO)	N(CCH)(OH)	118.9170	0.000	1	118.9170	0.000	1	118.9170	0.000	1	120.6275	4.313	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	3:2:	C-3:N-2:H-1:	N[6]-3:C-3:N-2:	C-3:O-2:	C(CN[6]N)(NO)(H)	C(N[6]C[6]2)(CHN)(NO)	N(CCH)(OH)	C(CN[6]N)(NO)(H)	C(N[6]C[6]2)(CHN)(NO)	N(CCH)(OH)	118.8190	0.530	2	118.8190	0.281	2	118.8190	0.281	2	120.6275	4.313	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:Cl-1:	C[5a]-3:C-3:S-2:	C[5]-3:C-3:	C(CC[5a]S)(NC[5])(Cl)	C(C[5a]C[5a]2)(CClN)(SS)	N(C[5]C[5]S[5])(CClC)	C(CC[5a]S)(NC[5])(Cl)	C(C[5a]C[5a]2)(CClN)(SS)	N(C[5]C[5]S[5])(CClC)	120.7740	0.898	2	120.7740	0.806	2	120.7740	0.806	2	119.1053	11.434	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	C-3:C-3:C-2:	C-3:N-3:	C(CCC)(NN)(H)	C(CCN)(CHN)(CN)	N(CCH)(NCH)	C(CCC)(NN)(H)	C(CCN)(CHN)(CN)	N(CCH)(NCH)	118.3630	0.000	1	118.3630	0.000	1	118.3630	0.000	1	119.1053	11.434	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	C[6a]-3:C-3:N-2:	C-3:N-3:	C(CC[6a]N)(NN)(H)	C(C[6a]C[6a]2)(CHN)(NN)	N(CCH)(NCH)	C(CC[6a]N)(NN)(H)	C(C[6a]C[6a]2)(CHN)(NN)	N(CCH)(NCH)	121.1770	0.000	1	121.1770	0.000	1	121.1770	0.000	1	119.1053	11.434	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	C[6a]-3:C-3:N-2:	N[5a]-3:C-3:	C(CC[6a]N)(NN[5a])(H)	C(C[6a]C[6a]2)(CHN)(NN)	N(N[5a]C[5a]N[5a])(CCH)	C(CC[6a]N)(NN[5a])(H)	C(C[6a]C[6a]2)(CHN)(NN)	N(N[5a]C[5a]N[5a])(CCH)	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	119.1053	11.434	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:S-1:	C-3:N-3:N-2:	C-3:N-3:	C(CNN)(NN)(S)	C(CNS)(NHH)(NN)	N(CCS)(NHH)	C(CNN)(NN)(S)	C(CNS)(NHH)(NN)	N(CCS)(NHH)	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	119.1053	11.434	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	4:3:	C-3:N-2:H-1:	C[6a]-3:C-3:O-2:	S-4:C-3:	C(CC[6a]O)(NS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	N(SCOO)(CCH)	C(CC[6a]O)(NS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	N(SCOO)(CCH)	121.3080	0.000	1	121.3080	0.000	1	121.3080	0.000	1	115.9595	57.213	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:2:	4:3:	C-3:N-2:O-1:	C[6a]-3:C-3:C-2:	S-4:C-3:	C(CC[6a]C)(NS)(O)	C(C[6a]C[6a]2)(CNO)(CC)	N(SC[6a]CO)(CCO)	C(CC[6a]C)(NS)(O)	C(C[6a]C[6a]2)(CNO)(CC)	N(SC[6a]CO)(CCO)	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	115.9595	57.213	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	2:3:	C-3:N-2:H-1:	C-3:C-3:N-3:	N-2:C-3:	C(CCN)(NN)(H)	C(CCN)(CHN)(NCC)	N(NC[6a])(CCH)	C(CCN)(NN)(H)	C(CCN)(CHN)(NCC)	N(NC[6a])(CCH)	118.2630	0.000	1	118.2630	0.000	1	118.2630	0.000	1	118.2630	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	3:2:	C-3:N-2:H-1:	C-3:N-3:N-3:	C-3:O-2:	C(CNN)(NO)(H)	C(CHN)(NOO)2	N(CCH)(OH)	C(CNN)(NO)(H)	C(CHN)(NOO)2	N(CCH)(OH)	125.4413	1.206	3	125.4413	1.455	3	125.4413	1.455	3	122.4030	37.896	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	3:2:	C-3:N-2:O-1:	C-3:C-3:N-3:	C-3:N-2:	C(CCN)(NN)(O)	C(CC[5a]H)(CNO)(NCH)	N(CCO)(NC)	C(CCN)(NN)(O)	C(CC[5a]H)(CNO)(NCH)	N(CCO)(NC)	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	122.4030	37.896	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	C[5]-3:C-3:C-3:	C[6a]-3:C-3:	C(CC[5]C)(NC[6a])(H)	C(C[5]C[5]N[5])(CHN)2	N(C[6a]C[6a]2)(CCH)	C(CC[5]C)(NC[6a])(H)	C(C[5]C[5]N[5])(CHN)2	N(C[6a]C[6a]2)(CCH)	125.0072	0.667	4	125.0072	0.445	4	125.0072	0.445	4	123.3675	4.488	11	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	C[6a]-3:C-3:C-3:	C-3:N-3:	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CCH)(CHN)	N(CCH)(NCH)	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CCH)(CHN)	N(CCH)(NCH)	122.2670	0.000	1	122.2670	0.000	1	120.8395	4.076	2	123.3675	4.488	11	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	C[6a]-3:C-3:C-3:	C-3:N-3:	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CHN)2	N(CCH)(NCS)	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CHN)2	N(CCH)(NCS)	119.4120	0.000	1	119.4120	0.000	1	120.8395	4.076	2	123.3675	4.488	11	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:	C(CC[6a]C)(NC[6a])(H)	C(C[6a]C[6a]2)(CHN)2	N(C[6a]C[6a]2)(CCH)	C(CC[6a]C)(NC[6a])(H)	C(C[6a]C[6a]2)(CHN)2	N(C[6a]C[6a]2)(CCH)	124.4830	0.240	3	124.4830	0.058	3	124.4830	0.058	3	123.3675	4.488	11	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:O-1:	C-3:C-3:C-3:	C-3:C-3:	C(CCC)(NC)(O)	C(CCO)(CNO)(COO)	N(CCH)(CCO)	C(CCC)(NC)(O)	C(CCO)(CNO)(COO)	N(CCH)(CCO)	120.9430	0.576	2	120.9430	0.331	2	120.9430	0.331	2	123.3675	4.488	11	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	4:3:	C-3:N-2:H-1:	C-3:C-3:C-3:	S-4:C-3:	C(CCC)(NS)(H)	C(CC[6a]2)(CC[6a]C)(CHN)	N(SC[6a]OO)(CCH)	C(CCC)(NS)(H)	C(CC[6a]2)(CC[6a]C)(CHN)	N(SC[6a]OO)(CCH)	121.5140	0.000	1	121.5140	0.000	1	121.5140	0.000	1	123.5228	1.803	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	4:3:	C-3:N-2:H-1:	C[5a]-3:C-3:C-3:	S-4:C-3:	C(CC[5a]C)(NS)(H)	C(C[5a]C[5a]N[5a])(CHN)2	N(SC[6a]OO)(CCH)	C(CC[5a]C)(NS)(H)	C(C[5a]C[5a]N[5a])(CHN)2	N(SC[6a]OO)(CCH)	124.1100	0.000	1	124.1100	0.000	1	124.1100	0.000	1	123.5228	1.803	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	4:3:	C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(CC[6a]2)(NS)(H)	C(C[6a]C[6a]2)2(CHN)	N(SC[6a]2O)(CCH)	C(CC[6a]2)(NS)(H)	C(C[6a]C[6a]2)2(CHN)	N(SC[6a]2O)(CCH)	124.1360	0.000	1	124.1360	0.000	1	124.1360	0.000	1	123.5228	1.803	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:3:3:	4:3:	C-3:N-2:H-1:	C[6a]-3:N[6]-3:C-3:	S-4:C-3:	C(CC[6a]N[6])(NS)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N(SC[6a]OO)(CCH)	C(CC[6a]N[6])(NS)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N(SC[6a]OO)(CCH)	124.3310	0.000	1	124.3310	0.000	1	124.3310	0.000	1	123.5228	1.803	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:4:1:	3:3:	C-3:N-2:Cl-1:	C-3:C-4:O-1:	N-3:C-3:	C(CCO)(NN)(Cl)	C(CClN)(CH3)(O)	N(NC[6a]H)(CClC)	C(CCO)(NN)(Cl)	C(CClN)(CH3)(O)	N(NC[6a]H)(CClC)	119.8583	0.708	6	119.8583	0.501	6	119.8583	0.501	6	119.8583	0.501	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:4:2:	3:3:	C-3:N-2:Cl-1:	C-3:C-4:N-2:	N-3:C-3:	C(CCN)(NN)(Cl)	C(CClN)(CH3)(NN)	N(NC[6a]H)(CClC)	C(CCN)(NN)(Cl)	C(CClN)(CH3)(NN)	N(NC[6a]H)(CClC)	121.6255	0.515	2	121.6255	0.266	2	121.6255	0.266	2	121.6255	0.266	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:4:3:	3:3:	C-3:N-2:H-1:	C-3:C-4:C-3:	C-3:N-3:	C(CCC)(NN)(H)	C(CC[6a]H)(CH3)(CHN)	N(CCH)(NCH)	C(CCC)(NN)(H)	C(CC[6a]H)(CH3)(CHN)	N(CCH)(NCH)	121.4507	0.379	4	121.4507	0.144	4	121.4507	0.144	4	122.4462	5.062	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:4:3:	3:3:	C-3:N-2:H-1:	C[6a]-3:S-4:C-3:	C-3:S-3:	C(CC[6a]S)(NS)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CHN)	N(CCH)(SCO)	C(CC[6a]S)(NS)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CHN)	N(CCH)(SCO)	126.4280	0.000	1	126.4280	0.000	1	126.4280	0.000	1	122.4462	5.062	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:4:3:	4:3:	C-3:N-2:H-1:	C-3:C-4:C-3:	C-4:C-3:	C(CCC)(NC)(H)	C(CC[6a]H)(CH3)(CHN)	N(CCHH)(CCH)	C(CCC)(NC)(H)	C(CC[6a]H)(CH3)(CHN)	N(CCHH)(CCH)	123.1740	0.587	2	123.1740	0.344	2	123.4698	0.235	4	123.4698	0.235	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	3:4:3:	4:3:	C-3:N-2:H-1:	C-3:C-4:C-3:	C-4:C-3:	C(CCC)(NC)(H)	C(CC[6a]H)(CH3)(CHN)	N(CC[6a]2H)(CCH)	C(CCC)(NC)(H)	C(CC[6a]H)(CH3)(CHN)	N(CC[6a]2H)(CCH)	123.7655	0.110	2	123.7655	0.012	2	123.4698	0.235	4	123.4698	0.235	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:1:	2:3:	C-3:N-2:H-1:	C-4:C-3:H-1:	N-2:C-3:	C(CCH)(NN)(H)	C(CCHO)(CHN)(H)	N(NC[6a])(CCH)	C(CCH)(NN)(H)	C(CCHO)(CHN)(H)	N(NC[6a])(CCH)	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:1:	3:1:	C-3:N-2:H-1:	C-4:C-3:O-1:	C-3:N-1:	C(CCO)(NN)(H)	C(CCHN)(CHN)(O)	N(CCH)(N)	C(CCO)(NN)(H)	C(CCHN)(CHN)(O)	N(CCH)(N)	116.6240	0.000	1	116.6240	0.000	1	116.6240	0.000	1	116.1440	0.396	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:1:	3:1:	C-3:N-2:H-1:	C[3]-4:C-3:O-1:	C-3:N-1:	C(CC[3]O)(NN)(H)	C(C[3]C[3]N[3]H)(CHN)(O)	N(CCH)(N)	C(CC[3]O)(NN)(H)	C(C[3]C[3]N[3]H)(CHN)(O)	N(CCH)(N)	116.4900	0.000	1	116.4900	0.000	1	116.4900	0.000	1	116.1440	0.396	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:1:	3:1:	C-3:N-2:H-1:	C[3x6]-4:C-3:O-1:	C-3:N-1:	C(CC[3x6]O)(NN)(H)	C(C[3x6]C[6,6]3)(CHN)(O)	N(CCH)(N)	C(CC[3x6]O)(NN)(H)	C(C[3x6]C[6,6]3)(CHN)(O)	N(CCH)(N)	115.4620	0.119	2	115.4620	0.014	2	115.4620	0.014	2	116.1440	0.396	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:1:	3:1:	C-3:N-2:H-1:	C[5]-4:C-3:O-1:	C-3:N-1:	C(CC[5]O)(NN)(H)	C(C[5]C[5]N[5]H)(CHN)(O)	N(CCH)(N)	C(CC[5]O)(NN)(H)	C(C[5]C[5]N[5]H)(CHN)(O)	N(CCH)(N)	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	116.1440	0.396	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:1:	3:2:	C-3:N-2:F-1:	C-4:C-3:F-1:	C-3:C-2:	C(CCF)(NC)(F)	C(CCo2C)(CFN)(F)	N(CCF)(CCr)	C(CCF)(NC)(F)	C(CCo2C)(CFN)(F)	N(CCF)(CCr)	124.9672	1.141	5	124.9672	1.302	5	124.9672	1.302	5	124.9672	1.302	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:C-3:H-1:	C-3:C-3:	C(CCH)(NC)(H)	C(CCHH)(CHN)(H)	N(CCH)(CNO)	C(CCH)(NC)(H)	C(CCHH)(CHN)(H)	N(CCH)(CNO)	126.3980	0.000	1	126.3980	0.000	1	126.3980	0.000	1	123.8775	12.706	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:	C(CC[6]H)(NC)(H)	C(C[6]C[6,6a]C[6]H)(CHN)(H)	N(CC[6a]2)(CCH)	C(CC[6]H)(NC)(H)	C(C[6]C[6,6a]C[6]H)(CHN)(H)	N(CC[6a]2)(CCH)	121.3570	0.000	1	121.3570	0.000	1	121.3570	0.000	1	123.8775	12.706	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:2:	3:1:	C-3:N-2:Cl-1:	C-4:C-3:N-2:	C-3:O-1:	C(CCN)(NO)(Cl)	C(CCHH)(CClN)(NO)	N(CClC)(O)	C(CCN)(NO)(Cl)	C(CCHH)(CClN)(NO)	N(CClC)(O)	119.1930	0.605	2	119.1930	0.366	2	119.1930	0.366	2	119.1930	0.366	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:2:	3:3:	C-3:N-2:H-1:	C-4:C-3:N-2:	N-3:C-3:	C(CCN)(NN)(H)	C(CCHO)(CHN)(NN)	N(NC[6a]C)(CCH)	C(CCN)(NN)(H)	C(CCHO)(CHN)(NN)	N(NC[6a]C)(CCH)	119.2910	0.000	1	119.2910	0.000	1	119.3285	0.003	2	127.2547	20.947	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:2:	3:3:	C-3:N-2:H-1:	C-4:C-3:N-2:	N-3:C-3:	C(CCN)(NN)(H)	C(CH3)(CHN)(NN)	N(NC[6a]H)(CCH)	C(CCN)(NN)(H)	C(CH3)(CHN)(NN)	N(NC[6a]H)(CCH)	119.3660	0.000	1	119.3660	0.000	1	119.3285	0.003	2	127.2547	20.947	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:2:	3:3:	C-3:N-2:H-1:	C-4:C-3:O-2:	C-3:C-3:	C(CCO)(NC)(H)	C(CH3)(CHN)(OC)	N(CC[6a]C)(CCH)	C(CCO)(NC)(H)	C(CH3)(CHN)(OC)	N(CC[6a]C)(CCH)	128.1300	0.000	1	128.1300	0.000	1	128.1300	0.000	1	127.2547	20.947	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:2:	3:3:	C-3:N-2:H-1:	C-4:C-3:O-2:	N-3:C-3:	C(CCO)(NN)(H)	C(CC3)(CHN)(OCo)	N(NCoC)(CCH)	C(CCO)(NN)(H)	C(CC3)(CHN)(OCo)	N(NCoC)(CCH)	130.3185	0.156	2	130.3185	0.024	2	129.7508	0.755	6	127.2547	20.947	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:2:	3:3:	C-3:N-2:H-1:	C-4:C-3:O-2:	N-3:C-3:	C(CCO)(NN)(H)	C(CCCH)(CHN)(OCo)	N(NCoC)(CCH)	C(CCO)(NN)(H)	C(CCCH)(CHN)(OCo)	N(NCoC)(CCH)	130.2205	0.640	2	130.2205	0.410	2	129.7508	0.755	6	127.2547	20.947	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:2:	3:3:	C-3:N-2:H-1:	C-4:C-3:O-2:	N-3:C-3:	C(CCO)(NN)(H)	C(CCCH)(CHN)(ONi)	N(NNiC)(CCH)	C(CCO)(NN)(H)	C(CCCH)(CHN)(ONi)	N(NNiC)(CCH)	128.7135	0.317	2	128.7135	0.101	2	129.7508	0.755	6	127.2547	20.947	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:3:	3:3:	C-3:N-2:H-1:	C-4:C-3:C-3:	C-3:C-3:	C(CCC)(NC)(H)	C(CC3)(CCH)(CHN)	N(CCC)(CCH)	C(CCC)(NC)(H)	C(CC3)(CCH)(CHN)	N(CCC)(CCH)	129.0720	0.000	1	129.0720	0.000	1	128.9160	1.286	3	123.4013	23.326	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:3:	3:3:	C-3:N-2:H-1:	C-4:C-3:C-3:	C-3:C-3:	C(CCC)(NC)(H)	C(CCHH)(CHN)(CHO)	N(CCH)(CCN)	C(CCC)(NC)(H)	C(CCHH)(CHN)(CHO)	N(CCH)(CCN)	127.7120	0.000	1	127.7120	0.000	1	128.9160	1.286	3	123.4013	23.326	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:3:	3:3:	C-3:N-2:H-1:	C-4:C-3:C-3:	C-3:C-3:	C(CCC)(NC)(H)	C(CF3)(CCC)(CHN)	N(CCH)(CNO)	C(CCC)(NC)(H)	C(CF3)(CCC)(CHN)	N(CCH)(CNO)	129.9640	0.000	1	129.9640	0.000	1	128.9160	1.286	3	123.4013	23.326	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:3:	3:3:	C-3:N-2:H-1:	C-4:C-3:C-3:	C-3:N-3:	C(CCC)(NN)(H)	C(CH3)(CCH)(CHN)	N(CCH)(NCH)	C(CCC)(NN)(H)	C(CH3)(CCH)(CHN)	N(CCH)(NCH)	121.9910	0.993	2	121.9910	0.986	2	121.9910	0.986	2	123.4013	23.326	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:3:	3:3:	C-3:N-2:H-1:	C-4:C-3:C-3:	N-3:C-3:	C(CCC)(NN)(H)	C(CCHO)(CCH)(CHN)	N(NC[6a]H)(CCH)	C(CCC)(NN)(H)	C(CCHO)(CCH)(CHN)	N(NC[6a]H)(CCH)	119.7590	0.000	1	119.7590	0.000	1	119.7590	0.000	1	123.4013	23.326	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:3:3:	3:3:	C-3:N-2:H-1:	C[6]-4:N-3:C-3:	C[6]-3:C-3:	C(CC[6]N)(NC[6])(H)	C(C[6]C[6]2H)(NC[6]C)(CHN)	N(C[6]C[6,6a]C[6])(CCH)	C(CC[6]N)(NC[6])(H)	C(C[6]C[6]2H)(NC[6]C)(CHN)	N(C[6]C[6,6a]C[6])(CCH)	118.3605	0.651	2	118.3605	0.424	2	118.3605	0.424	2	123.4013	23.326	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:1:	4:4:3:	3:2:	C-3:N-2:H-1:	C-4:C-4:C-3:	C-3:N-2:	C(CCC)(NN)(H)	C(CCHH)(CH3)(CHN)	N(CCH)(NN)	C(CCC)(NN)(H)	C(CCHH)(CH3)(CHN)	N(CCH)(NN)	120.2860	0.058	2	120.2860	0.003	2	120.2860	0.003	2	120.2860	0.003	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:1:	2:3:	C-3:C-2:N-2:	C-3:O-2:O-1:	N-2:C-3:	C(COO)(CN)(NN)	C(CCN)(OC)(O)	N(NC[6a])(CCC)	C(COO)(CN)(NN)	C(CCN)(OC)(O)	N(NC[6a])(CCC)	116.7950	0.000	1	116.7950	0.000	1	116.7950	0.000	1	116.7950	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:1:	3:1:	C-3:C-2:N-2:	C-3:O-2:O-1:	C-3:O-1:	C(COO)(CN)(NO)	C(CCN)(OC)(O)	N(CCC)(O)	C(COO)(CN)(NO)	C(CCN)(OC)(O)	N(CCC)(O)	115.4550	0.000	1	115.4550	0.000	1	115.4550	0.000	1	115.4550	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:1:	3:2:	C-3:C-2:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(COO)(CN)(NO)	C(CCN)(OC)(O)	N(CCC)(OC)	C(COO)(CN)(NO)	C(CCN)(OC)(O)	N(CCC)(OC)	117.1730	2.200	4	117.1730	4.838	4	117.1730	4.838	4	117.1730	4.838	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:1:	3:3:	C-3:C-2:N-2:	C-3:O-2:O-1:	C-3:C-3:	C(COO)(CN)(NC)	C(CCN)(OC)(O)	N(CCC)(CCO)	C(COO)(CN)(NC)	C(CCN)(OC)(O)	N(CCC)(CCO)	115.9710	0.000	1	115.9710	0.000	1	115.9710	0.000	1	118.3173	38.886	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:1:	3:3:	C-3:C-2:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(COO)(CN)(NN)	C(CCN)(OC)(O)	N(NC[5a]H)(CCC)	C(COO)(CN)(NN)	C(CCN)(OC)(O)	N(NC[5a]H)(CCC)	125.3860	0.000	1	125.3860	0.000	1	125.3860	0.000	1	118.3173	38.886	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:1:	3:3:	C-3:O-2:N-2:	C-3:O-2:O-1:	C-3:C-3:	C(COO)(OCo)(NC)	C(CNO)(OCo)(O)	N(CCO)(CNO)	C(COO)(OCo)(NC)	C(CNO)(OCo)(O)	N(CCO)(CNO)	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	118.3173	38.886	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:2:	3:1:	C-3:N-2:O-2:	C-3:C-2:C-2:	C-3:H-1:	C(CCC)(NH)(OH)	C(CNO)(CN)2	N(CCO)(H)	C(CCC)(NH)(OH)	C(CNO)(CN)2	N(CCO)(H)	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:2:	3:2:	C-3:N-2:N-2:	C-3:N-2:N-2:	C-3:N-2:	C(CNN)(NN)2	C(CNN)(NN)2	N(CCN)(NN)	C(CNN)(NN)2	C(CNN)(NN)2	N(CCN)(NN)	123.2420	0.000	1	123.2420	0.000	1	123.2420	0.000	1	119.8945	22.412	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:2:	3:2:	C-3:N-2:S-2:	C-3:N-2:S-2:	C-3:O-2:	C(CNS)(NO)(SC)	C(CNS)(NO)(SC)	N(CCS)(OH)	C(CNS)(NO)(SC)	C(CNS)(NO)(SC)	N(CCS)(OH)	116.5470	0.000	1	116.5470	0.000	1	116.5470	0.000	1	119.8945	22.412	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:2:	3:3:	C-3:C-2:N-2:	C-3:C-2:N-2:	C-3:C-3:	C(CCN)(CN)(NC)	C(CCN)(CN)(NC)	N(CCC)(CHN)	C(CCN)(CN)(NC)	C(CCN)(CN)(NC)	N(CCC)(CHN)	122.2825	0.168	2	122.2825	0.028	2	121.4846	3.457	17	121.2579	4.180	18	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:2:	3:3:	C-3:C-2:N-2:	C-3:C-2:N-2:	C-3:C-3:	C(CCN)(CN)(NC)	C(CCN)(CN)(NC)	N(CCC)2	C(CCN)(CN)(NC)	C(CCN)(CN)(NC)	N(CCC)2	126.0690	0.281	2	126.0690	0.079	2	121.4846	3.457	17	121.2579	4.180	18	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:2:	3:3:	C-3:C-2:N-2:	C-3:C-2:N-2:	C-3:C-3:	C(CCN)(CN)(NC)	C(CCN)(CN)(NC)	N(CC[6a]H)(CCC)	C(CCN)(CN)(NC)	C(CCN)(CN)(NC)	N(CC[6a]H)(CCC)	120.6566	0.499	13	120.6566	0.249	13	121.4846	3.457	17	121.2579	4.180	18	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:2:	3:3:	C-3:N-2:N-2:	C-3:N-2:N-2:	C-3:N-3:	C(CNN)(NN)2	C(CNN)(NN)2	N(CCN)(NCH)	C(CNN)(NN)2	C(CNN)(NN)2	N(CCN)(NCH)	117.4030	0.000	1	117.4030	0.000	1	117.4030	0.000	1	121.2579	4.180	18	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:3:	4:3:	C-3:N-2:O-2:	C[6a]-3:N-2:C-3:	C[6]-4:C-3:	C(CC[6a]N)(NC[6])(OC)	C(C[6a]C[6a]2)(NC[6])(CNO)	N(C[6]C[6]2H)(CCO)	C(CC[6a]N)(NC[6])(OC)	C(C[6a]C[6a]2)(NC[6])(CNO)	N(C[6]C[6]2H)(CCO)	128.6340	0.167	2	128.6340	0.028	2	128.6340	0.028	2	128.7680	0.068	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:2:3:	4:3:	C-3:N-2:O-2:	C[6a]-3:N-2:C-3:	S-4:C-3:	C(CC[6a]N)(NS)(OC)	C(C[6a]C[6a]2)(NC[6a])(CNO)	N(SCOO)(CCO)	C(CC[6a]N)(NS)(OC)	C(C[6a]C[6a]2)(NC[6a])(CNO)	N(SCOO)(CCO)	129.0360	0.000	1	129.0360	0.000	1	129.0360	0.000	1	128.7680	0.068	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:1:	C-3:C-2:N-2:	C-3:N-3:O-1:	C-3:O-1:	C(CNO)(CN)(NO)	C(CCN)(NHH)(O)	N(CCC)(O)	C(CNO)(CN)(NO)	C(CCN)(NHH)(O)	N(CCC)(O)	119.2760	0.000	1	119.2760	0.000	1	119.2760	0.000	1	120.8100	28.919	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:1:	C-3:C-2:N-2:	N[6]-3:C-3:O-1:	C-3:O-1:	C(CN[6]O)(CN)(NO)	C(N[6]C[6]2)(CCN)(O)	N(CCC)(O)	C(CN[6]O)(CN)(NO)	C(N[6]C[6]2)(CCN)(O)	N(CCC)(O)	126.7880	0.000	1	126.7880	0.000	1	126.7880	0.000	1	120.8100	28.919	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:1:	C-3:O-2:N-2:	C-3:C-3:H-1:	C-3:H-1:	C(CCH)(ONi)(NH)	C(CHH)(CNO)(H)	N(CCO)(H)	C(CCH)(ONi)(NH)	C(CHH)(CNO)(H)	N(CCO)(H)	116.3660	0.000	1	116.3660	0.000	1	116.3660	0.000	1	120.8100	28.919	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:2:	C-3:C-2:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(CNO)(CN)(NO)	C(CCN)(NCC)(O)	N(CCC)(OH)	C(CNO)(CN)(NO)	C(CCN)(NCC)(O)	N(CCC)(OH)	120.1900	0.074	2	120.1900	0.005	2	119.3670	2.019	6	117.9364	6.242	10	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:2:	C-3:C-2:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(CNO)(CN)(NO)	C(CCN)(NHH)(O)	N(CCC)(OH)	C(CNO)(CN)(NO)	C(CCN)(NHH)(O)	N(CCC)(OH)	117.6040	0.399	2	117.6040	0.159	2	119.3670	2.019	6	117.9364	6.242	10	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:2:	C-3:C-2:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(CNO)(CN)(NO)	C(CCN)(NHH)(O)	N(CCC)(OSn)	C(CNO)(CN)(NO)	C(CCN)(NHH)(O)	N(CCC)(OSn)	120.3070	0.769	2	120.3070	0.592	2	119.3670	2.019	6	117.9364	6.242	10	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:2:	C-3:C-2:N-2:	C[6a]-3:C-3:O-1:	C-3:O-2:	C(CC[6a]O)(CN)(NO)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(OH)	C(CC[6a]O)(CN)(NO)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(OH)	118.6780	0.000	1	118.6780	0.000	1	118.6780	0.000	1	117.9364	6.242	10	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:2:	C-3:N-2:N-2:	C[6a]-3:C-3:O-1:	C-3:O-2:	C(CC[6a]O)(NC[6a])(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(CCN)(OH)	C(CC[6a]O)(NC[6a])(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(CCN)(OH)	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	117.9364	6.242	10	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:2:	C-3:N-2:S-2:	C-3:N-3:O-1:	C-3:O-2:	C(CNO)(NO)(SC)	C(CNS)(NCC)(O)	N(CCS)(OC)	C(CNO)(NO)(SC)	C(CNS)(NCC)(O)	N(CCS)(OC)	115.6490	0.472	2	115.6490	0.223	2	115.6490	0.223	2	117.9364	6.242	10	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:3:	C-3:C-2:N-2:	C-3:N-3:O-1:	N-3:C-3:	C(CNO)(CN)(NN)	C(CCN)(NHH)(O)	N(NC[6a]H)(CCC)	C(CNO)(CN)(NN)	C(CCN)(NHH)(O)	N(NC[6a]H)(CCC)	118.2480	0.000	1	118.2480	0.000	1	118.2480	0.000	1	120.2664	31.392	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:3:	C-3:C-2:N-2:	C[6a]-3:C-3:H-1:	C-3:C-3:	C(CC[6a]H)(CN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	N(CC[6a]2)(CCC)	C(CC[6a]H)(CN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	N(CC[6a]2)(CCC)	123.9413	0.092	3	123.9413	0.009	3	123.9413	0.009	3	120.2664	31.392	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:3:	C-3:C-2:N-2:	C[6a]-3:C-3:O-1:	N-3:C-3:	C(CC[6a]O)(CN)(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6a]H)(CCC)	C(CC[6a]O)(CN)(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6a]H)(CCC)	122.4595	0.409	2	122.4595	0.168	2	122.4595	0.168	2	120.2664	31.392	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:3:	C-3:N-2:N-2:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:	C(CC[6a]O)(NC[6a])(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(C[6a]C[6a]2)(CCN)	C(CC[6a]O)(NC[6a])(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(C[6a]C[6a]2)(CCN)	119.6110	0.000	1	119.6110	0.000	1	119.6110	0.000	1	120.2664	31.392	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:3:	C-3:N-2:O-2:	C-3:C-3:H-1:	C-3:C-3:	C(CCH)(NC)(OC)	C(CCH)(CNO)(H)	N(CCO)2	C(CCH)(NC)(OC)	C(CCH)(CNO)(H)	N(CCO)2	131.6950	0.000	1	131.6950	0.000	1	131.6950	0.000	1	120.2664	31.392	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:3:	C-3:O-2:N-2:	C-3:C-3:H-1:	C-3:C-3:	C(CCH)(ONi)(NC)	C(CC[6a]H)(CNO)(H)	N(CCO)(CNS)	C(CCH)(ONi)(NC)	C(CC[6a]H)(CNO)(H)	N(CCO)(CNS)	112.1280	0.000	1	112.1280	0.000	1	113.2453	1.184	3	120.2664	31.392	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:3:	C-3:O-2:N-2:	C-3:C-3:H-1:	C-3:C-3:	C(CCH)(OZn)(NC)	C(CC[6a]H)(CNO)(H)	N(CCO)(CNS)	C(CCH)(OZn)(NC)	C(CC[6a]H)(CNO)(H)	N(CCO)(CNS)	113.8040	0.704	2	113.8040	0.496	2	113.2453	1.184	3	120.2664	31.392	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	3:3:	C-3:S-2:N-2:	N-3:C-3:O-1:	N-3:C-3:	C(CNO)(SNi)(NN)	C(NC[6a]H)(CNS)(O)	N(NNiC)(CCS)	C(CNO)(SNi)(NN)	C(NC[6a]H)(CNS)(O)	N(NNiC)(CCS)	117.1640	0.000	1	117.1640	0.000	1	117.1640	0.000	1	120.2664	31.392	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:1:	4:3:	C-3:N-2:O-2:	C-3:C-3:H-1:	S-4:C-3:	C(CCH)(NS)(OC)	C(CBrC)(CNO)(H)	N(SC[6a]OO)(CCO)	C(CCH)(NS)(OC)	C(CBrC)(CNO)(H)	N(SC[6a]OO)(CCO)	127.4520	0.000	1	127.4520	0.000	1	127.4520	0.000	1	127.4520	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:2:	3:3:	C-3:C-2:N-2:	C-3:N-3:C-2:	C-3:C-3:	C(CCN)(CN)(NC)	C(CCN)(NCH)(CN)	N(CC[6a]H)(CCC)	C(CCN)(CN)(NC)	C(CCN)(NCH)(CN)	N(CC[6a]H)(CCC)	120.7490	0.000	1	120.7490	0.000	1	118.4222	0.831	25	118.9700	8.867	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:2:	3:3:	C-3:C-2:N-2:	C-3:N-3:C-2:	C-3:C-3:	C(CCN)(CN)(NC)	C(CCN)(NHH)(CN)	N(CCC)(CCH)	C(CCN)(CN)(NC)	C(CCN)(NHH)(CN)	N(CCC)(CCH)	117.7313	0.362	3	117.7313	0.131	3	118.4222	0.831	25	118.9700	8.867	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:2:	3:3:	C-3:C-2:N-2:	C-3:N-3:C-2:	C-3:C-3:	C(CCN)(CN)(NC)	C(CCN)(NHH)(CN)	N(CC[5a]H)(CCC)	C(CCN)(CN)(NC)	C(CCN)(NHH)(CN)	N(CC[5a]H)(CCC)	118.7075	0.499	2	118.7075	0.249	2	118.4222	0.831	25	118.9700	8.867	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:2:	3:3:	C-3:C-2:N-2:	C-3:N-3:C-2:	C-3:C-3:	C(CCN)(CN)(NC)	C(CCN)(NHH)(CN)	N(CC[6a]H)(CCC)	C(CCN)(CN)(NC)	C(CCN)(NHH)(CN)	N(CC[6a]H)(CCC)	118.3788	0.829	19	118.3788	0.688	19	118.4222	0.831	25	118.9700	8.867	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:2:	3:3:	C-3:C-2:N-2:	N-3:C-3:O-2:	N-3:C-3:	C(CNO)(CN)(NN)	C(NCoH)(CCN)(OC)	N(NC[6a]Co)(CCC)	C(CNO)(CN)(NN)	C(NCoH)(CCN)(OC)	N(NC[6a]Co)(CCC)	129.5540	0.000	1	129.5540	0.000	1	129.2385	0.199	2	118.9700	8.867	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:2:	3:3:	C-3:C-2:N-2:	N-3:C-3:O-2:	N-3:C-3:	C(CNO)(CN)(NN)	C(NCuH)(CCN)(OC)	N(NC[6a]Cu)(CCC)	C(CNO)(CN)(NN)	C(NCuH)(CCN)(OC)	N(NC[6a]Cu)(CCC)	128.9230	0.000	1	128.9230	0.000	1	129.2385	0.199	2	118.9700	8.867	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:2:	3:3:	C-3:O-2:N-2:	C[6a]-3:C-3:N-2:	N-3:C-3:	C(CC[6a]N)(OMn)(NN)	C(C[6a]C[6a]2)(CNO)(NN)	N(NMnC)(CCO)	C(CC[6a]N)(OMn)(NN)	C(C[6a]C[6a]2)(CNO)(NN)	N(NMnC)(CCO)	116.0615	0.807	2	116.0615	0.651	2	116.0615	0.651	2	118.9700	8.867	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:2:	3:3:	C-3:S-2:N-2:	C[6a]-3:C-3:N-2:	C-3:C-3:	C(CC[6a]N)(SC[6a])(NC)	C(C[6a]C[6a]2)(CNS)(NC)	N(CCS)(COO)	C(CC[6a]N)(SC[6a])(NC)	C(C[6a]C[6a]2)(CNS)(NC)	N(CCS)(COO)	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	118.9700	8.867	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:2:	4:3:	C-3:N-2:O-2:	C-3:C-3:C-2:	C-4:C-3:	C(CCC)(NC)(OH)	C(CNO)(CNS)(CN)	N(CH3)(CCO)	C(CCC)(NC)(OH)	C(CNO)(CNS)(CN)	N(CH3)(CCO)	121.7310	0.000	1	121.7310	0.000	1	122.1825	0.408	2	122.1825	0.408	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:2:	4:3:	C-3:N-2:O-2:	C-3:C-3:C-2:	C-4:C-3:	C(CCC)(NC)(OH)	C(CNO)2(CN)	N(CH3)(CCO)	C(CCC)(NC)(OH)	C(CNO)2(CN)	N(CH3)(CCO)	122.6340	0.000	1	122.6340	0.000	1	122.1825	0.408	2	122.1825	0.408	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:3:	3:3:	C-3:C-2:N-2:	N-3:C-3:N-3:	N-3:C-3:	C(CNN)(CN)(NN)	C(NMnC)(CCN)(NHH)	N(NC[6a]Mn)(CCC)	C(CNN)(CN)(NN)	C(NMnC)(CCN)(NHH)	N(NC[6a]Mn)(CCC)	130.1210	0.000	2	130.1210	0.000	2	130.1210	0.000	2	127.7500	10.037	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:3:	3:3:	C-3:N-2:O-2:	C[6a]-3:N-3:C-3:	C-3:S-3:	C(CC[6a]N)(NS)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	N(CCO)(SCO)	C(CC[6a]N)(NS)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	N(CCO)(SCO)	128.8458	0.751	5	128.8458	0.564	5	128.8458	0.564	5	127.7500	10.037	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:3:	3:3:	C-3:N-2:S-2:	C-3:C-3:N-3:	C-3:C-3:	C(CCN)(NC)(SC)	C(CNN)(CNS)(NOO)	N(CC[6a]O)(CCS)	C(CCN)(NC)(SC)	C(CNN)(CNS)(NOO)	N(CC[6a]O)(CCS)	124.7080	0.000	1	124.7080	0.000	1	124.7080	0.000	1	127.7500	10.037	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:3:3:	3:3:	C-3:N-2:S-2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:	C(CC[6a]C)(NC[6a])(SU)	C(C[6a]C[6a]2)(CCU)(CNS)	N(C[6a]C[6a]2)(CCS)	C(CC[6a]C)(NC[6a])(SU)	C(C[6a]C[6a]2)(CCU)(CNS)	N(C[6a]C[6a]2)(CCS)	120.5710	0.000	1	120.5710	0.000	1	120.5710	0.000	1	127.7500	10.037	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	3:4:3:	3:3:	C-3:N-2:O-2:	N-3:C-4:C-3:	C-3:S-3:	C(CCN)(NS)(OC)	C(NC[6a]O)(CCHH)(CNO)	N(CCO)(SCO)	C(CCN)(NS)(OC)	C(NC[6a]O)(CCHH)(CNO)	N(CCO)(SCO)	129.9920	0.000	1	129.9920	0.000	1	129.9920	0.000	1	129.9920	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	4:3:1:	3:3:	C-3:C-2:N-2:	C-4:C-3:O-1:	N-3:C-3:	C(CCO)(CN)(NN)	C(CH3)(CCN)(O)	N(NC[6a]H)(CCC)	C(CCO)(CN)(NN)	C(CH3)(CCN)(O)	N(NC[6a]H)(CCC)	119.4127	0.412	6	119.4127	0.170	6	119.4127	0.170	6	119.4127	0.170	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	4:3:2:	3:3:	C-3:N-2:O-2:	C-4:C-3:C-2:	C-3:C-3:	C(CCC)(NC)(OC)	C(CCHH)(CNO)(CN)	N(CCO)2	C(CCC)(NC)(OC)	C(CCHH)(CNO)(CN)	N(CCO)2	123.7760	0.000	1	123.7760	0.000	1	123.7760	0.000	1	123.7760	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	4:3:2:	4:3:	C-3:N-2:S-2:	P-4:C-3:S-2:	P-4:C-3:	C(CPS)(NP)(SS)	C(PC[6a]2Mn)(CNS)(SC)	N(PC[6a]2Mn)(CCS)	C(CPS)(NP)(SS)	C(PC[6a]2Mn)(CNS)(SC)	N(PC[6a]2Mn)(CCS)	132.8200	0.000	1	132.8200	0.000	1	132.8200	0.000	1	128.7045	33.875	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:2:	4:3:2:	4:3:	C-3:N-2:S-2:	S-4:C-3:C-2:	C-4:C-3:	C(CCS)(NC)(SC)	C(SC[6a]OO)(CNS)(CN)	N(CC[6a]HH)(CCS)	C(CCS)(NC)(SC)	C(SC[6a]OO)(CNS)(CN)	N(CC[6a]HH)(CCS)	124.5890	0.000	1	124.5890	0.000	1	124.5890	0.000	1	128.7045	33.875	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:2:1:	3:3:	C[6a]-3:N-2:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(COO)	C(CC[6a]N)(OC)(O)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(COO)	C(CC[6a]N)(OC)(O)	N(C[6a]C[6a]2)(CC[6a]C)	122.5285	1.629	4	122.5285	2.654	4	122.5285	2.654	4	122.5285	2.654	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:2:2:	3:3:	C[6a]-3:N-2:C-3:	C-3:N-2:O-2:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CNO)	C(CC[6a]N)(NS)(OC)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C(CC[6a]N)(NS)(OC)	N(C[6a]C[6a]2)(CC[6a]C)	121.1800	0.000	1	121.1800	0.000	1	121.1800	0.000	1	121.1800	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:2:2:	4:3:	C[6a]-3:N-2:C-3:	C-3:N-2:O-2:	C[6]-4:C-3:	C(C[6a]C[6a]2)(NC[6])(CNO)	C(CC[6a]N)(NC[6])(OC)	N(C[6]C[6]2H)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6])(CNO)	C(CC[6a]N)(NC[6])(OC)	N(C[6]C[6]2H)(CC[6a]C)	123.2580	0.072	2	123.2580	0.005	2	123.2580	0.005	2	123.2580	0.005	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	C-3:N-2:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:	C(CC[6a]O)(NC[6a])(CCO)	C(C[6a]C[6a]2)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	C(CC[6a]O)(NC[6a])(CCO)	C(C[6a]C[6a]2)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	123.4010	0.000	1	123.4010	0.000	1	123.4010	0.000	1	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	C[6a]-3:N-2:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]C)(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]C)(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	126.9215	1.450	2	126.9215	2.103	2	122.6981	12.576	7	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	C[6a]-3:N-2:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]H)(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]H)(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	123.8160	0.000	1	123.8160	0.000	1	122.6981	12.576	7	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	C[6a]-3:N-2:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]N)(CCH)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]N)(CCH)(H)	N(C[6a]C[6a]2)(CC[6a]C)	122.3080	0.000	1	122.3080	0.000	1	122.6981	12.576	7	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	C[6a]-3:N-2:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]N)(CC[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]N)(CC[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]C)	121.9700	0.000	1	121.9700	0.000	1	122.6981	12.576	7	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	C[6a]-3:N-2:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]N)2(H)	N(C[6a]C[6a]2)(CC[6a]C)	118.4750	0.274	2	118.4750	0.075	2	122.6981	12.576	7	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	C[6a]-3:N-2:C-3:	C-3:C-3:O-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCO)	C(CC[6a]N)2(O)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCO)	C(CC[6a]N)2(O)	N(C[6a]C[6a]2)(CC[6a]C)	112.9725	0.448	2	112.9725	0.200	2	112.9725	0.200	2	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	C[6a]-3:N-2:C-3:	C-3:N-3:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CHN)	C(CC[6a]N)(NC[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CHN)	C(CC[6a]N)(NC[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]C)	121.1480	0.000	1	121.1480	0.000	1	121.1480	0.000	1	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	C[6a]-3:N-2:C-3:	C-3:N-3:O-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CNO)	C(CC[6a]N)(NCH)(O)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C(CC[6a]N)(NCH)(O)	N(C[6a]C[6a]2)(CC[6a]C)	116.5205	1.114	4	116.5205	1.242	4	116.7185	0.996	6	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	C[6a]-3:N-2:C-3:	C-3:N-3:O-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CNO)	C(CC[6a]N)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C(CC[6a]N)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]C)	116.4880	0.000	1	116.4880	0.000	1	116.7185	0.996	6	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	C[6a]-3:N-2:C-3:	C-3:N-3:O-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CNO)	C(CC[6a]N)(NHH)(O)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C(CC[6a]N)(NHH)(O)	N(C[6a]C[6a]2)(CC[6a]C)	117.7410	0.000	1	117.7410	0.000	1	116.7185	0.996	6	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:	N-3:N-2:C-3:	N-3:C-3:O-1:	C[6a]-3:C-3:	C(NC[6a]H)(NC[6a])(CNO)	C(NC[6a]H)(CNN)(O)	N(C[6a]C[6a]2)(CCN)	C(NC[6a]H)(NC[6a])(CNO)	C(NC[6a]H)(CNN)(O)	N(C[6a]C[6a]2)(CCN)	116.4150	0.188	4	116.4150	0.035	4	116.4150	0.035	4	118.8263	16.522	21	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:2:	3:3:	C-3:N-2:C-3:	C-3:C-3:O-2:	C[6a]-3:C-3:	C(CC[6a]O)(NC[6a])(CCO)	C(CC[6a]H)(CCN)(OC)	N(C[6a]C[6a]2)(CCC)	C(CC[6a]O)(NC[6a])(CCO)	C(CC[6a]H)(CCN)(OC)	N(C[6a]C[6a]2)(CCC)	119.8170	0.000	1	119.8170	0.000	1	119.8170	0.000	1	119.8170	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:3:	3:3:	C-3:N-2:C-3:	C[6a]-3:N-3:C-3:	C[6a]-3:C-3:	C(CC[6a]N)(NC[6a])(CPdN)	C(C[6a]C[6a]2)(NC[6a]Pd)(CCN)	N(C[6a]C[6a]2)(CCC)	C(CC[6a]N)(NC[6a])(CPdN)	C(C[6a]C[6a]2)(NC[6a]Pd)(CCN)	N(C[6a]C[6a]2)(CCC)	118.1143	0.630	3	118.1143	0.396	3	118.1143	0.396	3	122.8537	9.950	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:3:	3:3:	C[5a]-3:N-2:C-3:	C-3:N-3:C-3:	C[6a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(NC[6a])(CCN)	C(CC[5a]N)(NC[6a]O)(COO)	N(C[6a]C[6a]2)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(NC[6a])(CCN)	C(CC[5a]N)(NC[6a]O)(COO)	N(C[6a]C[6a]2)(CC[5a]C)	122.0420	0.000	1	122.0420	0.000	1	122.0420	0.000	1	122.8537	9.950	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CC[6a]C)(CC[6a]N)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CC[6a]C)(CC[6a]N)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)	121.6910	0.000	1	121.6910	0.000	1	124.7325	1.768	8	122.8537	9.950	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CC[6a]N)(CHN)(CNO)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CC[6a]N)(CHN)(CNO)	N(C[6a]C[6a]2)(CC[6a]C)	125.2930	0.616	5	125.2930	0.379	5	124.7325	1.768	8	122.8537	9.950	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:3:	3:3:	C[6a]-3:N-2:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CC[6a]N)(CHN)(CNS)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CC[6a]N)(CHN)(CNS)	N(C[6a]C[6a]2)(CC[6a]C)	124.8520	0.074	2	124.8520	0.005	2	124.7325	1.768	8	122.8537	9.950	12	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:4:	3:3:	N[5]-3:N-2:C-3:	C-3:C-3:Si-4:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CSiC)	C(CC[6a]H)(CN[5]N)(SiC3)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(NC[6a])(CSiC)	C(CC[6a]H)(CN[5]N)(SiC3)	N(C[6a]C[6a]2)(CN[5]C)	125.5300	0.000	1	125.5300	0.000	1	125.5300	0.000	1	125.5300	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:4:3:	4:3:	N-3:N-2:C-3:	C-3:Si-4:C-3:	C[6]-4:C-3:	C(NC[6]Al)(NC[6])(CSiC)	C(CN[6]H)(SiC3)(CNN)	N(C[6]C[6]2H)(CCN)	C(NC[6]Al)(NC[6])(CSiC)	C(CN[6]H)(SiC3)(CNN)	N(C[6]C[6]2H)(CCN)	124.5080	0.000	1	124.5080	0.000	1	124.5080	0.000	1	124.5080	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:4:	3:3:1:	3:3:	C-3:N-2:C-4:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:	C(CC[5]H)(NC[6a])(CClFF)	C(C[5]C[5]N[5])(CCN)(H)	N(C[6a]C[6a]2)(CCC)	C(CC[5]H)(NC[6a])(CClFF)	C(C[5]C[5]N[5])(CCN)(H)	N(C[6a]C[6a]2)(CCC)	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	119.0370	12.034	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:4:	3:3:1:	3:3:	C-3:N-2:C-4:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:	C(CC[6a]O)(NC[6a])(CH3)	C(C[6a]C[6a]2)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	C(CC[6a]O)(NC[6a])(CH3)	C(C[6a]C[6a]2)(CCN)(O)	N(C[6a]C[6a]2)(CCC)	116.5840	0.000	1	116.5840	0.000	1	116.5840	0.000	1	119.0370	12.034	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:4:	3:3:2:	3:3:	C-3:N-2:C-4:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:	C(CC[6a]N)(NC[6a])(CCHH)	C(C[6a]C[6a]2)(CCN)(NC)	N(C[6a]C[6a]2)(CCC)	C(CC[6a]N)(NC[6a])(CCHH)	C(C[6a]C[6a]2)(CCN)(NC)	N(C[6a]C[6a]2)(CCC)	124.0840	0.000	1	124.0840	0.000	1	124.5600	0.453	2	124.5600	0.453	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:4:	3:3:2:	3:3:	C-3:N-2:C-4:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:	C(CC[6a]N)(NC[6a])(CH3)	C(C[6a]C[6a]2)(CCN)(NC)	N(C[6a]C[6a]2)(CCC)	C(CC[6a]N)(NC[6a])(CH3)	C(C[6a]C[6a]2)(CCN)(NC)	N(C[6a]C[6a]2)(CCC)	125.0360	0.000	1	125.0360	0.000	1	124.5600	0.453	2	124.5600	0.453	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:2:4:	3:4:3:	3:3:	C-3:N-2:C-4:	N[5]-3:C-4:C-3:	C[6a]-3:C-3:	C(CN[5]C)(NC[6a])(CH3)	C(N[5]C[5,6a]Ga[5])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	C(CN[5]C)(NC[6a])(CH3)	C(N[5]C[5,6a]Ga[5])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)	116.1430	0.000	1	116.1430	0.000	1	116.1430	0.000	1	116.1430	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	2:4:3:	3:2:	C-3:C-3:N-2:	N-2:C-4:C-3:	C-3:O-2:	C(CCN)2(NO)	C(NC[6a])(CH3)(CCN)	N(CCC)(OH)	C(CCN)2(NO)	C(NC[6a])(CH3)(CCN)	N(CCC)(OH)	120.7990	5.108	2	120.7990	26.093	2	120.7990	26.093	2	120.7990	26.093	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	2:4:3:	3:3:	C-3:C-3:N-2:	N-2:C-4:C-3:	N-3:C-3:	C(CC[6a]O)(CCN)(NN)	C(NC[6a])(CH3)(CCN)	N(NC[6a]H)(CCC)	C(CC[6a]O)(CCN)(NN)	C(NC[6a])(CH3)(CCN)	N(NC[6a]H)(CCC)	126.4680	0.000	1	126.4680	0.000	1	126.4680	0.000	1	126.4680	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:1:1:	3:2:	C-3:C-3:N-2:	C-3:H-1:H-1:	C-3:O-2:	C(CCN)(CHH)(NO)	C(CCN)(H)2	N(CCC)(OH)	C(CCN)(CHH)(NO)	C(CCN)(H)2	N(CCC)(OH)	125.1930	0.000	1	125.1930	0.000	1	125.1930	0.000	1	116.0982	15.228	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:1:1:	3:2:	C[5]-3:C-3:N-2:	C-3:O-1:O-1:	C-3:O-2:	C(C[5]C[5]N[5])(COO)(NO)	C(CC[5]N)(O)2	N(CC[5]C)(OC)	C(C[5]C[5]N[5])(COO)(NO)	C(CC[5]N)(O)2	N(CC[5]C)(OC)	124.8960	0.000	1	124.8960	0.000	1	124.8960	0.000	1	116.0982	15.228	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:1:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:Cl-1:Cl-1:	C-3:N-2:	C(C[6a]C[6a]2)(CCl2)(NN)	C(CC[6a]N)(Cl)2	N(CC[6a]C)(NC[6a])	C(C[6a]C[6a]2)(CCl2)(NN)	C(CC[6a]N)(Cl)2	N(CC[6a]C)(NC[6a])	114.7218	1.540	13	114.7218	2.370	13	114.7218	2.370	13	116.0982	15.228	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:1:1:	3:3:	C-3:C-3:N-2:	C-3:H-1:O-1:	N-3:C-3:	C(CCO)(CHO)(NN)	C(CCN)(H)(O)	N(NC[6a]H)(CCC)	C(CCO)(CHO)(NN)	C(CCN)(H)(O)	N(NC[6a]H)(CCC)	125.6770	0.000	1	125.6770	0.000	1	125.2320	0.150	3	125.3567	0.547	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:1:1:	3:3:	C-3:C-3:N-2:	C-3:H-1:O-1:	N-3:C-3:	C(CC[6a]O)(CHO)(NN)	C(CCN)(H)(O)	N(NC[6a]H)(CCC)	C(CC[6a]O)(CHO)(NN)	C(CCN)(H)(O)	N(NC[6a]H)(CCC)	125.0095	0.054	2	125.0095	0.003	2	125.2320	0.150	3	125.3567	0.547	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:1:1:	3:3:	C[6]-3:C-3:N-2:	C-3:H-1:H-1:	C-3:N-3:	C(C[6]C[6]N[6])(CHH)(NN)	C(CC[6]N)(H)2	N(CC[6]C)(NCH)	C(C[6]C[6]N[6])(CHH)(NN)	C(CC[6]N)(H)2	N(CC[6]C)(NCH)	126.7040	0.000	1	126.7040	0.000	1	126.7040	0.000	1	125.3567	0.547	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:1:1:	3:3:	N[5a]-3:C-3:N-2:	C-3:Cl-1:H-1:	C-3:C-3:	C(N[5a]C[5a]2)(CClH)(NC)	C(CN[5a]N)(Cl)(H)	N(CC[6a]2)(CN[5a]C)	C(N[5a]C[5a]2)(CClH)(NC)	C(CN[5a]N)(Cl)(H)	N(CC[6a]2)(CN[5a]C)	124.8700	0.318	2	124.8700	0.101	2	124.8700	0.101	2	125.3567	0.547	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:1:1:	3:4:	C[6a]-3:C-3:N-2:	C-3:H-1:H-1:	C-3:C-4:	C(C[6a]C[6a]2)(CHH)(NC)	C(CC[6a]N)(H)2	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CHH)(NC)	C(CC[6a]N)(H)2	N(CC[6a]C)(CCHH)	122.4550	0.000	1	122.4550	0.000	1	122.4550	0.000	1	122.4550	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:1:1:	4:3:	C-3:C-3:N-2:	C-3:H-1:H-1:	C-4:C-3:	C(CCH)(CHH)(NC)	C(CCN)(H)2	N(CCHH)(CCC)	C(CCH)(CHH)(NC)	C(CCN)(H)2	N(CCHH)(CCC)	114.7870	0.000	1	114.7870	0.000	1	114.7870	0.000	1	114.7870	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	2:3:	C-3:C-3:N-2:	C-3:O-2:O-1:	N-2:C-3:	C(CCN)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a])(CCC)	C(CCN)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a])(CCC)	113.3860	0.000	1	113.3860	0.000	1	118.2915	48.128	2	118.2915	48.128	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	2:3:	C-3:C-3:N-2:	C-3:O-2:O-1:	N-2:C-3:	C(CCO)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a])(CCC)	C(CCO)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a])(CCC)	123.1970	0.000	1	123.1970	0.000	1	118.2915	48.128	2	118.2915	48.128	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:1:	C-3:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(CCO)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	C(CCO)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	116.2645	1.108	2	116.2645	1.228	2	116.0103	0.808	3	117.1780	6.681	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:1:	C-3:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(CC[6a]O)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	C(CC[6a]O)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	115.5020	0.000	1	115.5020	0.000	1	116.0103	0.808	3	117.1780	6.681	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:1:	C-3:S-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(COO)(SCC)(NN)	C(CNS)(OC)(O)	N(CCS)(N)	C(COO)(SCC)(NN)	C(CNS)(OC)(O)	N(CCS)(N)	118.9310	0.000	1	118.9310	0.000	1	118.9310	0.000	1	117.1780	6.681	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:1:	C[5a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:H-1:	C(C[5a]C[5a]N[5a])(COO)(NH)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(COO)(NH)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(H)	121.4510	0.000	1	121.4510	0.000	1	121.4510	0.000	1	117.1780	6.681	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:1:	C[6a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(N)	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(N)	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	117.1780	6.681	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C-3:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(CCN)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OH)	C(CCN)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OH)	122.9270	0.000	1	122.9270	0.000	1	122.6466	11.307	8	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C-3:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(CCO)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OC)	C(CCO)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OC)	123.9010	0.565	5	123.9010	0.319	5	122.6466	11.307	8	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C-3:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(CCO)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OH)	C(CCO)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OH)	124.2930	0.000	1	124.2930	0.000	1	122.6466	11.307	8	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C-3:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(CC[6a]O)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OC)	C(CC[6a]O)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OC)	114.4480	0.000	1	114.4480	0.000	1	122.6466	11.307	8	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C-3:N-3:N-2:	C-3:N-2:H-1:	C-3:O-2:	C(CHN)(NCH)(NO)	C(CNN)(NO)(H)	N(CCN)(OH)	C(CHN)(NCH)(NO)	C(CNN)(NO)(H)	N(CCN)(OH)	112.0420	0.000	1	112.0420	0.000	1	112.0420	0.000	1	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C[5a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(C[5a]C[5a,6a]C[5a,6])(COO)(NO)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(OC)	C(C[5a]C[5a,6a]C[5a,6])(COO)(NO)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(OC)	117.6745	7.251	2	117.6745	52.583	2	119.1437	28.866	6	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C[5a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(C[5a]C[5a]N[5a])(COO)(NO)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(OC)	C(C[5a]C[5a]N[5a])(COO)(NO)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(OC)	123.1900	0.991	2	123.1900	0.983	2	119.1437	28.866	6	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C[5a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(C[5a]C[5a]N[5a])(COO)(NO)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(OH)	C(C[5a]C[5a]N[5a])(COO)(NO)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(OH)	121.0620	0.000	1	121.0620	0.000	1	119.1437	28.866	6	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C[5a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(C[5a]C[5a]O[5a])(COO)(NO)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(OH)	C(C[5a]C[5a]O[5a])(COO)(NO)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(OH)	112.0710	0.000	1	112.0710	0.000	1	119.1437	28.866	6	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C[5a]-3:C-3:N-2:	C-3:S-2:O-1:	C-3:O-2:	C(C[5a]C[5a]N[5a])(COS)(NO)	C(CC[5a]N)(SC[5a])(O)	N(CC[5a]C)(OC)	C(C[5a]C[5a]N[5a])(COS)(NO)	C(CC[5a]N)(SC[5a])(O)	N(CC[5a]C)(OC)	121.0290	0.000	1	121.0290	0.000	1	121.0290	0.000	1	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	C-3:N-2:	C(C[6a]C[6a]2)(CHN)(NN)	C(CC[6a]N)(NO)(H)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CHN)(NN)	C(CC[6a]N)(NO)(H)	N(CC[6a]C)(NC)	122.5463	0.693	3	122.5463	0.480	3	122.5463	0.480	3	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:N-2:	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(NC)	121.3650	0.000	1	121.3650	0.000	1	121.3650	0.000	1	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(C[6a]C[6a]2)(COO)(NO)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(COO)(NO)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(OC)	117.5283	3.771	6	117.5283	14.219	6	117.1710	12.743	7	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(C[6a]C[6a]2)(COO)(NO)	C(CC[6a]N)(OH)(O)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(COO)(NO)	C(CC[6a]N)(OH)(O)	N(CC[6a]C)(OC)	115.0270	0.000	1	115.0270	0.000	1	117.1710	12.743	7	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	N-3:C-3:N-2:	C-3:N-2:H-1:	C-3:O-2:	C(NC[6a]H)(CHN)(NO)	C(CNN)(NO)(H)	N(CCN)(OH)	C(NC[6a]H)(CHN)(NO)	C(CNN)(NO)(H)	N(CCN)(OH)	115.4300	0.000	1	115.4300	0.000	1	115.4300	0.000	1	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	N[5a]-3:C-3:N-2:	C-3:N-2:H-1:	C-3:O-2:	C(N[5a]C[5a]N[5a])(CHN)(NO)	C(CN[5a]N)(NO)(H)	N(CN[5a]C)(OH)	C(N[5a]C[5a]N[5a])(CHN)(NO)	C(CN[5a]N)(NO)(H)	N(CN[5a]C)(OH)	118.0710	0.000	1	118.0710	0.000	1	118.0710	0.000	1	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:2:	N[6]-3:C-3:N-2:	C-3:N-2:H-1:	C-3:O-2:	C(N[6]C[6]2)(CHN)(NO)	C(CN[6]N)(NO)(H)	N(CN[6]C)(OH)	C(N[6]C[6]2)(CHN)(NO)	C(CN[6]N)(NO)(H)	N(CN[6]C)(OH)	122.4295	1.604	2	122.4295	2.574	2	122.4295	2.574	2	119.8925	18.056	31	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C-3:C-3:N-2:	C-3:O-2:O-1:	C-3:C-3:	C(CC[5a]H)(COO)(NC)	C(CCN)(OC)(O)	N(CCC)2	C(CC[5a]H)(COO)(NC)	C(CCN)(OC)(O)	N(CCC)2	120.9120	0.412	2	120.9120	0.169	2	119.7593	4.071	3	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C-3:C-3:N-2:	C-3:O-2:O-1:	C-3:C-3:	C(CHN)(COO)(NC)	C(CCN)(OC)(O)	N(CCC)(COS)	C(CHN)(COO)(NC)	C(CCN)(OC)(O)	N(CCC)(COS)	117.4540	0.000	1	117.4540	0.000	1	119.7593	4.071	3	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C-3:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(CCO)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]Cu)(CCC)	C(CCO)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]Cu)(CCC)	109.9060	0.024	2	109.9060	0.001	2	118.9133	22.221	30	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C-3:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(CCO)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]H)(CCC)	C(CCO)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]H)(CCC)	119.1173	4.192	23	119.1173	17.569	23	118.9133	22.221	30	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C-3:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(CCO)(COO)(NN)	C(CCN)(OH)(O)	N(NC[6a]H)(CCC)	C(CCO)(COO)(NN)	C(CCN)(OH)(O)	N(NC[6a]H)(CCC)	123.8533	0.319	3	123.8533	0.102	3	118.9133	22.221	30	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C-3:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(CNO)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]H)(CCC)	C(CNO)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]H)(CCC)	114.9920	0.000	1	114.9920	0.000	1	118.9133	22.221	30	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C-3:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(COsO)(COO)(NN)	C(CCN)(OC)(O)	N(NOsRh)(CCC)	C(COsO)(COO)(NN)	C(CCN)(OC)(O)	N(NOsRh)(CCC)	121.3350	0.000	1	121.3350	0.000	1	118.9133	22.221	30	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C-3:N-3:N-2:	C-3:N-2:S-1:	C-3:N-3:	C(CNS)(NHH)(NN)	C(CNN)(NN)(S)	N(CCN)(NHH)	C(CNS)(NHH)(NN)	C(CNN)(NN)(S)	N(CCN)(NHH)	119.0290	0.000	1	119.0290	0.000	1	119.0290	0.000	1	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[5]-3:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(C[5]N[5]2)(COO)(NN)	C(CC[5]N)(OC)(O)	N(NC[6a]H)(CC[5]C)	C(C[5]N[5]2)(COO)(NN)	C(CC[5]N)(OC)(O)	N(NC[6a]H)(CC[5]C)	122.6910	0.000	1	122.6910	0.000	1	122.6910	0.000	1	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[5a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:N-3:	C(C[5a]N[5a]2)(COO)(NN)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(NC[6a]H)	C(C[5a]N[5a]2)(COO)(NN)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(NC[6a]H)	115.2953	0.956	3	115.2953	0.914	3	115.2953	0.914	3	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[5a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:S-3:	C(C[5a]C[5a]S[5a])(COO)(NS)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(SCO)	C(C[5a]C[5a]S[5a])(COO)(NS)	C(CC[5a]N)(OC)(O)	N(CC[5a]C)(SCO)	126.2100	0.327	2	126.2100	0.107	2	126.2100	0.107	2	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[6]-3:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(C[6]C[6]N[6])(COO)(NN)	C(CC[6]N)(OC)(O)	N(NC[6a]H)(CC[6]C)	C(C[6]C[6]N[6])(COO)(NN)	C(CC[6]N)(OC)(O)	N(NC[6a]H)(CC[6]C)	125.8435	2.307	2	125.8435	5.324	2	125.8435	5.324	2	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CHN)(NN)	C(CC[6a]N)(NN)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CHN)(NN)	C(CC[6a]N)(NN)(H)	N(CC[6a]C)(NCH)	126.9880	0.000	1	126.9880	0.000	1	120.3848	49.843	6	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CHN)(NN)	C(CC[6a]N)(NN[5a])(H)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CHN)(NN)	C(CC[6a]N)(NN[5a])(H)	N(CC[6a]C)(NHS)	112.0330	0.000	1	112.0330	0.000	1	120.3848	49.843	6	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CHN)(NN)	C(CC[6a]N)(NO)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CHN)(NN)	C(CC[6a]N)(NO)(H)	N(CC[6a]C)(NCH)	125.3660	0.000	1	125.3660	0.000	1	120.3848	49.843	6	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CHN)(NN)	C(CC[6a]N)(NO)(H)	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CHN)(NN)	C(CC[6a]N)(NO)(H)	N(CC[6a]C)(NHH)	119.3073	7.334	3	119.3073	53.783	3	120.3848	49.843	6	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:N-3:	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(NCH)	118.5093	6.033	4	118.5093	36.393	4	116.7755	21.823	28	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:N-3:	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(NC[6a]C)	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(NC[6a]C)	119.6870	0.000	1	119.6870	0.000	1	116.7755	21.823	28	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:N-3:	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(NC[6a]H)	119.4789	4.288	12	119.4789	18.387	12	116.7755	21.823	28	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:N-3:	C(C[6a]C[6a]N[6a])(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(COO)(NN)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(NC[6a]H)	112.9311	0.837	11	112.9311	0.700	11	116.7755	21.823	28	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:S-3:	C(C[6a]C[6a]2)(COO)(NS)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(SCO)	C(C[6a]C[6a]2)(COO)(NS)	C(CC[6a]N)(OC)(O)	N(CC[6a]C)(SCO)	124.4300	0.542	2	124.4300	0.293	2	124.4300	0.293	2	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:	N[5a]-3:C-3:N-2:	C-3:O-2:O-1:	C-3:N-3:	C(N[5a]C[5a,6a]C[5a])(COO)(NN)	C(CN[5a]N)(OC)(O)	N(CN[5a]C)(NC[6a]H)	C(N[5a]C[5a,6a]C[5a])(COO)(NN)	C(CN[5a]N)(OC)(O)	N(CN[5a]C)(NC[6a]H)	119.1750	0.457	2	119.1750	0.209	2	119.1750	0.209	2	118.7203	24.759	80	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	4:3:	C-3:C-3:N-2:	C-3:O-2:O-1:	P-4:C-3:	C(CC[6a]H)(COO)(NP)	C(CCN)(OC)(O)	N(PC[6a]3)(CCC)	C(CC[6a]H)(COO)(NP)	C(CCN)(OC)(O)	N(PC[6a]3)(CCC)	117.7233	0.393	6	117.7233	0.154	6	117.7233	0.154	6	119.1204	5.047	10	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	4:3:	C-3:C-3:N-2:	C-3:O-2:O-1:	S-4:C-3:	C(CCH)(COO)(NS)	C(CCN)(OC)(O)	N(SC[6a]OO)(CCC)	C(CCH)(COO)(NS)	C(CCN)(OC)(O)	N(SC[6a]OO)(CCC)	124.5100	0.000	1	124.5100	0.000	1	124.5100	0.000	1	119.1204	5.047	10	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	4:3:	C[6a]-3:C-3:N-2:	C-3:O-2:O-1:	P-4:C-3:	C(C[6a]C[6a]2)(COO)(NP)	C(CC[6a]N)(OC)(O)	N(PC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(COO)(NP)	C(CC[6a]N)(OC)(O)	N(PC[6a]2O)(CC[6a]C)	120.1180	0.672	3	120.1180	0.452	3	120.1180	0.452	3	119.1204	5.047	10	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:2:	3:3:	C[5a]-3:C-3:N-2:	C-3:O-2:O-2:	N-3:C-3:	C(C[5a]N[5a]2)(COO)(NN)	C(CC[5a]N)(OZn)(OC)	N(NC[6a]Zn)(CC[5a]C)	C(C[5a]N[5a]2)(COO)(NN)	C(CC[5a]N)(OZn)(OC)	N(NC[6a]Zn)(CC[5a]C)	126.3240	0.000	1	126.3240	0.000	1	126.3240	0.000	1	124.5123	2.915	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:2:	3:3:	C[6]-3:C-3:N-2:	C-3:O-2:O-2:	N-3:C-3:	C(C[6]C[6]N[6])(COO)(NN)	C(CC[6]N)(OZn)(OC)	N(NC[6a]Zn)(CC[6]C)	C(C[6]C[6]N[6])(COO)(NN)	C(CC[6]N)(OZn)(OC)	N(NC[6a]Zn)(CC[6]C)	126.3930	0.000	1	126.3930	0.000	1	126.3930	0.000	1	124.5123	2.915	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:2:	3:3:	C[6a]-3:C-3:N-2:	C-3:O-2:N-2:	C-3:N-3:	C(C[6a]C[6a]2)(CNO)(NN)	C(CC[6a]N)(OMn)(NN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CNO)(NN)	C(CC[6a]N)(OMn)(NN)	N(CC[6a]C)(NCH)	124.3350	1.448	2	124.3350	2.097	2	124.3350	2.097	2	124.5123	2.915	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:2:	3:3:	C[6a]-3:C-3:N-2:	C-3:O-2:O-2:	C-3:N-3:	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OFe)(OC)	N(CC[6a]C)(NFeN)	C(C[6a]C[6a]2)(COO)(NN)	C(CC[6a]N)(OFe)(OC)	N(CC[6a]C)(NFeN)	122.7310	0.000	1	122.7310	0.000	1	122.7310	0.000	1	124.5123	2.915	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:2:	3:3:	C[6a]-3:C-3:N-2:	C-3:S-2:N-2:	C-3:C-3:	C(C[6a]C[6a]2)(CNS)(NC)	C(CC[6a]N)(SC[6a])(NC)	N(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CNS)(NC)	C(CC[6a]N)(SC[6a])(NC)	N(CC[6a]C)(COO)	122.9560	0.000	1	122.9560	0.000	1	122.9560	0.000	1	124.5123	2.915	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:3:	3:3:	C-3:N-3:N-2:	C[6a]-3:O-2:C-3:	C-3:C-3:	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(CNN)	N(CC[6a]H)(CCN)	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(CNN)	N(CC[6a]H)(CCN)	128.1320	0.000	1	128.1320	0.000	1	127.0365	2.400	2	127.0365	2.400	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:3:	3:3:	C-3:N-3:N-2:	C[6a]-3:O-2:C-3:	C-3:C-3:	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a]2)(OC[6a])(CNN)	N(CC[6a]2)(CCN)	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a]2)(OC[6a])(CNN)	N(CC[6a]2)(CCN)	125.9410	0.000	1	125.9410	0.000	1	127.0365	2.400	2	127.0365	2.400	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:4:	4:3:	C[6a]-3:C-3:N-2:	C-3:N-2:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCN)(NC)	C(CC[6a]N)(NC[6a])(CCHH)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(NC)	C(CC[6a]N)(NC[6a])(CCHH)	N(CC[6a]HH)(CC[6a]C)	123.2810	0.000	1	123.2810	0.000	1	124.0090	1.060	2	124.0090	1.060	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:4:	4:3:	C[6a]-3:C-3:N-2:	C-3:N-2:C-4:	C-4:C-3:	C(C[6a]C[6a]2)(CCN)(NC)	C(CC[6a]N)(NC[6a])(CH3)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(NC)	C(CC[6a]N)(NC[6a])(CH3)	N(CC[6a]HH)(CC[6a]C)	124.7370	0.000	1	124.7370	0.000	1	124.0090	1.060	2	124.0090	1.060	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	2:3:	C-3:C-3:N-2:	C-3:C-3:H-1:	N-2:C-3:	C(CCH)2(NN)	C(CCH)(CCN)(H)	N(NC[6a])(CCC)	C(CCH)2(NN)	C(CCH)(CCN)(H)	N(NC[6a])(CCC)	116.4917	6.123	4	116.4917	37.494	4	115.9930	29.488	10	116.4506	28.843	11	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	2:3:	C-3:C-3:N-2:	C-3:C-3:H-1:	N-2:C-3:	C(CCH)2(NN)	C(CC[5]H)(CCN)(H)	N(NC[6a])(CCC)	C(CCH)2(NN)	C(CC[5]H)(CCN)(H)	N(NC[6a])(CCC)	115.6605	5.500	6	115.6605	30.250	6	115.9930	29.488	10	116.4506	28.843	11	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	2:3:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	N-2:C-3:	C(CC[6a]O)(CCO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6a])(CCC)	C(CC[6a]O)(CCO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6a])(CCC)	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	116.4506	28.843	11	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:1:	C-3:C-3:N-2:	C[6a]-3:C-3:H-1:	C-3:C-1:	C(CC[6a]H)(CCN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(C)	C(CC[6a]H)(CCN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(C)	121.6190	0.000	1	121.6190	0.000	1	121.6190	0.000	1	118.4123	19.795	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:1:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(CC[6a]O)(COO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(N)	C(CC[6a]O)(COO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(N)	113.3330	0.000	1	113.3330	0.000	1	113.3330	0.000	1	118.4123	19.795	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:1:	N[6]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:H-1:	C(N[6]C[6]2)(CCH)(NH)	C(CN[6]N)(CCN)(H)	N(CN[6]C)(H)	C(N[6]C[6]2)(CCH)(NH)	C(CN[6]N)(CCN)(H)	N(CN[6]C)(H)	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	118.4123	19.795	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C-3:C-3:N-2:	C-3:C-3:H-1:	C-3:O-2:	C(CCH)2(NO)	C(CC[6,6]H)(CCN)(H)	N(CCC)(OC)	C(CCH)2(NO)	C(CC[6,6]H)(CCN)(H)	N(CCC)(OC)	118.0520	7.763	2	118.0520	60.258	2	118.0520	60.258	2	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-3:O-2:	C(CC[6a]O)(COO)(NO)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(OC)	C(CC[6a]O)(COO)(NO)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(OC)	122.6610	0.000	1	122.6610	0.000	1	122.6610	0.000	1	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C-3:N-3:N-2:	C-3:C-3:H-1:	C-3:O-2:	C(CCH)(NHH)(NO)	C(CCH)(CNN)(H)	N(CCN)(OH)	C(CCH)(NHH)(NO)	C(CCH)(CNN)(H)	N(CCN)(OH)	115.3935	0.069	2	115.3935	0.005	2	115.3935	0.005	2	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C-3:N-3:N-2:	C[6a]-3:C-3:O-1:	C-3:O-2:	C(CC[6a]O)(NC[6a]H)(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(CCN)(OH)	C(CC[6a]O)(NC[6a]H)(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(CCN)(OH)	113.8800	1.193	11	113.8800	1.424	11	114.2260	2.731	12	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C-3:N-3:N-2:	C[6a]-3:C-3:O-1:	C-3:O-2:	C(CC[6a]O)(NHH)(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(CCN)(OH)	C(CC[6a]O)(NHH)(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(CCN)(OH)	118.0320	0.000	1	118.0320	0.000	1	114.2260	2.731	12	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[5]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-3:N-2:	C(C[5]S[5]2)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CC[5]N)(O)	N(CC[5]C)(NC[6a])	C(C[5]S[5]2)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CC[5]N)(O)	N(CC[5]C)(NC[6a])	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[5a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:C-2:	C(C[5a]N[5a]2)(CCH)(NC)	C(CC[5a]N)(CCH)(H)	N(CC[5a]C)(CH)	C(C[5a]N[5a]2)(CCH)(NC)	C(CC[5a]N)(CCH)(H)	N(CC[5a]C)(CH)	122.9130	0.000	1	122.9130	0.000	1	122.9130	0.000	1	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[5a]-3:C-3:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(C[5a]C[5a]N[5a])(CNO)(NO)	C(CC[5a]N)(NC[4]H)(O)	N(CC[5a]C)(OC)	C(C[5a]C[5a]N[5a])(CNO)(NO)	C(CC[5a]N)(NC[4]H)(O)	N(CC[5a]C)(OC)	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:N-2:	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(NC)	122.9890	0.000	1	122.9890	0.000	1	122.9890	0.000	1	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:O-2:	C(C[6a]C[6a]2)(CCH)(NO)	C(CC[5a]C[6a])(CC[6a]N)(H)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CCH)(NO)	C(CC[5a]C[6a])(CC[6a]N)(H)	N(CC[6a]C)(OC)	124.6930	0.533	2	124.6930	0.284	2	125.0798	0.827	8	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:O-2:	C(C[6a]C[6a]2)(CCH)(NO)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CCH)(NO)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(OC)	125.4685	1.142	4	125.4685	1.304	4	125.0798	0.827	8	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:O-2:	C(C[6a]C[6a]2)(CCH)(NO)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CCH)(NO)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(OH)	124.6890	0.622	2	124.6890	0.387	2	125.0798	0.827	8	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(C[6a]C[6a]2)(CNO)(NO)	C(CC[6a]N)(NCH)(O)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CNO)(NO)	C(CC[6a]N)(NCH)(O)	N(CC[6a]C)(OC)	115.5260	0.000	1	115.5260	0.000	1	114.9383	18.156	9	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(C[6a]C[6a]2)(CNO)(NO)	C(CC[6a]N)(NCH)(O)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CNO)(NO)	C(CC[6a]N)(NCH)(O)	N(CC[6a]C)(OH)	123.1120	0.000	1	123.1120	0.000	1	114.9383	18.156	9	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(C[6a]C[6a]2)(CNO)(NO)	C(CC[6a]N)(NCO)(O)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CNO)(NO)	C(CC[6a]N)(NCO)(O)	N(CC[6a]C)(OC)	112.7940	0.000	1	112.7940	0.000	1	114.9383	18.156	9	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(C[6a]C[6a]2)(CNO)(NO)	C(CC[6a]N)(NHN)(O)	N(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CNO)(NO)	C(CC[6a]N)(NHN)(O)	N(CC[6a]C)(OC)	115.2860	0.877	5	115.2860	0.769	5	114.9383	18.156	9	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(C[6a]C[6a]N[6a])(CNO)(NO)	C(CC[6a]N)(NHN)(O)	N(CC[6a]C)(OH)	C(C[6a]C[6a]N[6a])(CNO)(NO)	C(CC[6a]N)(NHN)(O)	N(CC[6a]C)(OH)	106.5830	0.000	1	106.5830	0.000	1	114.9383	18.156	9	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(CC[6a]C)(NC)	121.0553	0.954	12	121.0553	0.910	12	121.0553	0.910	12	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[6a]O)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(CC[6a]C)(OH)	119.7836	3.042	5	119.7836	9.253	5	119.7836	9.253	5	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:2:	N[5a]-3:C-3:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(N[5a]C[5a]N[5a])(CNO)(NO)	C(CN[5a]N)(NHN)(O)	N(CN[5a]C)(OH)	C(N[5a]C[5a]N[5a])(CNO)(NO)	C(CN[5a]N)(NHN)(O)	N(CN[5a]C)(OH)	118.8433	0.532	3	118.8433	0.283	3	118.8433	0.283	3	118.7314	20.341	58	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	C-3:N-3:H-1:	C-3:C-3:	C(CHN)(CNO)(NC)	C(CCN)(NCC)(H)	N(CC[6a]2)(CCC)	C(CHN)(CNO)(NC)	C(CCN)(NCC)(H)	N(CC[6a]2)(CCC)	121.7405	0.292	2	121.7405	0.085	2	121.7405	0.085	2	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	C-3:N-3:O-1:	N-3:C-3:	C(CCO)(CNO)(NN)	C(CCN)(NCC)(O)	N(NC[6a]H)(CCC)	C(CCO)(CNO)(NN)	C(CCN)(NCC)(O)	N(NC[6a]H)(CCC)	124.5168	1.153	6	124.5168	1.330	6	124.5168	1.330	6	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	C[5a]-3:C-3:H-1:	C-3:C-3:	C(CC[5a]H)(CC[6a]O)(NC)	C(C[5a]C[5a]N[5a])(CCN)(H)	N(CCC)(CCO)	C(CC[5a]H)(CC[6a]O)(NC)	C(C[5a]C[5a]N[5a])(CCN)(H)	N(CCC)(CCO)	125.8680	0.000	1	125.8680	0.000	1	124.6317	1.147	3	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	C[5a]-3:C-3:H-1:	C-3:C-3:	C(CC[5a]H)(COO)(NC)	C(C[5a]C[5a]N[5a])(CCN)(H)	N(CCC)2	C(CC[5a]H)(COO)(NC)	C(C[5a]C[5a]N[5a])(CCN)(H)	N(CCC)2	124.0135	0.015	2	124.0135	0.000	2	124.6317	1.147	3	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-3:C-3:	C(CC[5a]H)(CC[6a]O)(NC)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(CCO)	C(CC[5a]H)(CC[6a]O)(NC)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(CCO)	117.0370	0.000	1	117.0370	0.000	1	117.0370	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	N-3:C-3:	C(CC[6a]O)(CCN)(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6a]H)(CCC)	C(CC[6a]O)(CCN)(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6a]H)(CCC)	112.7560	0.000	1	112.7560	0.000	1	118.6845	23.689	15	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	N-3:C-3:	C(CC[6a]O)(CHO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6a]H)(CCC)	C(CC[6a]O)(CHO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6a]H)(CCC)	116.6400	0.491	2	116.6400	0.241	2	118.6845	23.689	15	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	N-3:C-3:	C(CC[6a]O)2(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6]H)(CCC)	C(CC[6a]O)2(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6]H)(CCC)	118.3165	8.305	2	118.3165	68.973	2	118.6845	23.689	15	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	N-3:C-3:	C(CC[6a]O)2(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6a]H)(CCC)	C(CC[6a]O)2(NN)	C(C[6a]C[6a]2)(CCN)(O)	N(NC[6a]H)(CCC)	119.7598	4.797	10	119.7598	23.010	10	118.6845	23.689	15	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	N-3:C-3:H-1:	C-3:C-3:	C(CHN)(COO)(NC)	C(NC[6]H)(CCN)(H)	N(CCC)(COS)	C(CHN)(COO)(NC)	C(NC[6]H)(CCN)(H)	N(CCC)(COS)	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	N-3:C-3:O-1:	C-3:C-3:	C(CHN)(CNO)(NC)	C(NC[6a]C)(CCN)(O)	N(CC[6a]2)(CCC)	C(CHN)(CNO)(NC)	C(NC[6a]C)(CCN)(O)	N(CC[6a]2)(CCC)	121.5750	0.696	2	121.5750	0.484	2	121.5750	0.484	2	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	N-3:C-3:O-1:	N-3:C-3:	C(CCO)(CNO)(NN)	C(NC[6a]H)(CCN)(O)	N(NC[6a]H)(CCC)	C(CCO)(CNO)(NN)	C(NC[6a]H)(CCN)(O)	N(NC[6a]H)(CCC)	123.0425	0.315	6	123.0425	0.099	6	123.1001	0.106	7	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:C-3:N-2:	N-3:C-3:O-1:	N-3:C-3:	C(CNO)(COO)(NN)	C(NC[5a]H)(CCN)(O)	N(NC[6a]H)(CCC)	C(CNO)(COO)(NN)	C(NC[5a]H)(CCN)(O)	N(NC[6a]H)(CCC)	123.4460	0.000	1	123.4460	0.000	1	123.1001	0.106	7	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	C-3:C-3:	C(CCH)(NCS)(NC)	C(CCC)(CNN)(H)	N(CCC)(CCN)	C(CCH)(NCS)(NC)	C(CCC)(CNN)(H)	N(CCC)(CCN)	127.3830	0.567	2	127.3830	0.322	2	127.1127	0.380	3	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	C-3:C-3:	C(CCH)(NCS)(NC)	C(CCC)(CNN)(H)	N(CCH)(CCN)	C(CCH)(NCS)(NC)	C(CCC)(CNN)(H)	N(CCH)(CCN)	126.5720	0.000	1	126.5720	0.000	1	127.1127	0.380	3	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C-3:C-3:	C(CC[6a]H)(NC[6a]S)(NC)	C(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]H)(CCN)	C(CC[6a]H)(NC[6a]S)(NC)	C(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]H)(CCN)	124.4120	0.000	1	124.4120	0.000	1	124.4120	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:N-3:N-2:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:	C(CC[6a]O)(NC[6a]H)(NC[6a])	C(C[6a]C[6a]2)(CNN)(O)	N(C[6a]C[6a]2)(CCN)	C(CC[6a]O)(NC[6a]H)(NC[6a])	C(C[6a]C[6a]2)(CNN)(O)	N(C[6a]C[6a]2)(CCN)	124.6580	0.000	1	124.6580	0.000	1	124.6580	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C-3:N-3:N-2:	C[6a]-3:C-3:O-1:	S-3:C-3:	C(CC[6a]O)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(O)	N(SC[6a]O)(CCN)	C(CC[6a]O)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(O)	N(SC[6a]O)(CCN)	122.7320	0.933	2	122.7320	0.871	2	122.7320	0.871	2	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[5a]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CC[5a]N)(O)	N(C[6a]C[6a]2)(CC[5a]C)	C(C[5a]N[5a,6a]C[5a])(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CC[5a]N)(O)	N(C[6a]C[6a]2)(CC[5a]C)	122.8550	0.000	1	122.8550	0.000	1	122.8550	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-3:Br-1:	C-3:C-3:	C(C[6a]C[6a]2)(CBrC)(NC)	C(CC[6a]N)(CHO)(Br)	N(CC[6a]C)2	C(C[6a]C[6a]2)(CBrC)(NC)	C(CC[6a]N)(CHO)(Br)	N(CC[6a]C)2	121.7900	0.000	1	121.7900	0.000	1	121.7900	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:C-3:	C(C[6a]C[6a]2)(CCH)(NC)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCH)(NC)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]C)(CCH)	125.4220	0.000	1	125.4220	0.000	1	125.4220	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[5a]H)(CC[6a]N)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[5a]H)(CC[6a]N)(H)	N(CC[6a]C)(NC[6a]H)	117.2400	0.000	1	117.2400	0.000	1	122.1662	20.593	12	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]2)(CC[6a]N)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]2)(CC[6a]N)(H)	N(CC[6a]C)(NCH)	126.1170	1.223	2	126.1170	1.496	2	122.1662	20.593	12	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(NCH)	119.7770	5.728	2	119.7770	32.805	2	122.1662	20.593	12	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(NC[6a]H)	115.9910	1.420	2	115.9910	2.016	2	122.1662	20.593	12	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]C)(NHS)	124.1260	0.000	2	124.1260	0.000	2	122.1662	20.593	12	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]N)(CCH)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]N)(CCH)(H)	N(CC[6a]C)(NC[6a]H)	126.4070	0.000	1	126.4070	0.000	1	122.1662	20.593	12	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]N)(CCO)(H)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]N)(CCO)(H)	N(CC[6a]C)(NC[6a]H)	123.8580	0.000	1	123.8580	0.000	1	122.1662	20.593	12	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]N)(CN[6]C)(H)	N(CC[6a]C)(NC[6]C)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]N)(CN[6]C)(H)	N(CC[6a]C)(NC[6]C)	126.4680	0.000	1	126.4680	0.000	1	122.1662	20.593	12	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:N-3:O-1:	C-3:N-3:	C(C[6a]C[6a]2)(CNO)(NN)	C(CC[6a]N)(NC[6a]C)(O)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CNO)(NN)	C(CC[6a]N)(NC[6a]C)(O)	N(CC[6a]C)(NHS)	122.7050	0.000	1	122.7050	0.000	1	122.7375	0.002	2	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:N-3:O-1:	C-3:N-3:	C(C[6a]C[6a]2)(CNO)(NN)	C(CC[6a]N)(NHN)(O)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CNO)(NN)	C(CC[6a]N)(NHN)(O)	N(CC[6a]C)(NCH)	122.7700	0.000	1	122.7700	0.000	1	122.7375	0.002	2	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5]H)(NC[6a])	C(C[5]N[5]S[5])(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(NC[6a])	C(C[5]N[5]S[5])(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	117.5495	2.242	2	117.5495	5.028	2	117.5495	5.028	2	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]H)(NC[6a])	C(C[5a]C[5a,6a]O[5a])(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(NC[6a])	C(C[5a]C[5a,6a]O[5a])(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	123.1440	0.000	1	123.1440	0.000	1	123.1440	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6]H)(NC[6a])	C(C[6]C[6]2)(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(NC[6a])	C(C[6]C[6]2)(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)	125.2360	0.000	1	125.2360	0.000	1	125.2360	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:H-1:	C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]H)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]C)2	124.1220	0.000	1	124.1220	0.000	1	124.1220	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(CC[6a]C)(NCC)	122.9760	0.000	1	122.9760	0.000	1	118.9320	25.991	4	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(CC[6a]C)(NC[6a]H)	117.5840	5.299	3	117.5840	28.083	3	118.9320	25.991	4	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(C[6a]C[6a]2)(CC[6a]C)	121.8673	3.966	6	121.8673	15.733	6	121.8673	15.733	6	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	N[5]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CN[5]N)(O)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CN[5]N)(O)	N(C[6a]C[6a]2)(CN[5]C)	123.0720	0.000	1	123.0720	0.000	1	123.0720	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:	N[5a]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CN[5a]N)(O)	N(C[6a]C[6a]2)(CN[5a]C)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CN[5a]N)(O)	N(C[6a]C[6a]2)(CN[5a]C)	125.4870	0.000	1	125.4870	0.000	1	125.4870	0.000	1	121.9012	15.611	78	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:C-4:	C(C[6a]C[6a]2)(CCH)(NC)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(NC)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]C)(CCHH)	125.3220	0.000	1	125.3220	0.000	1	125.3220	0.000	1	125.1620	0.051	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:4:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	C-3:Si-4:	C(C[6a]C[6a]2)(CCH)(NSi)	C(CC[6a]N)(CCN)(H)	N(CC[6a]C)(SiC3)	C(C[6a]C[6a]2)(CCH)(NSi)	C(CC[6a]N)(CCN)(H)	N(CC[6a]C)(SiC3)	125.0020	0.000	1	125.0020	0.000	1	125.0020	0.000	1	125.1620	0.051	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C-3:C-3:N-2:	C-3:C-3:H-1:	C-4:C-3:	C(CCH)(CCN)(NC)	C(CCH)(CCN)(H)	N(CC3)(CCC)	C(CCH)(CCN)(NC)	C(CCH)(CCN)(H)	N(CC3)(CCC)	125.6670	0.112	2	125.6670	0.012	2	124.7727	2.406	3	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C-3:C-3:N-2:	C-3:C-3:H-1:	C-4:C-3:	C(CCH)(CHH)(NC)	C(CCN)(CHN)(H)	N(CCHH)(CCC)	C(CCH)(CHH)(NC)	C(CCN)(CHN)(H)	N(CCHH)(CCC)	122.9840	0.000	1	122.9840	0.000	1	124.7727	2.406	3	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C-3:C-3:N-2:	C-3:C-3:H-1:	S-4:C-3:	C(CCH)(CCN)(NS)	C(CCH)(CCN)(H)	N(SC[6a]OO)(CCC)	C(CCH)(CCN)(NS)	C(CCH)(CCN)(H)	N(SC[6a]OO)(CCC)	125.2870	0.000	1	125.2870	0.000	1	121.3450	31.079	2	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C-3:C-3:N-2:	C-3:C-3:H-1:	S-4:C-3:	C(CCH)(COO)(NS)	C(CC[6a]H)(CCN)(H)	N(SC[6a]OO)(CCC)	C(CCH)(COO)(NS)	C(CC[6a]H)(CCN)(H)	N(SC[6a]OO)(CCC)	117.4030	0.000	1	117.4030	0.000	1	121.3450	31.079	2	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C-3:C-3:N-2:	C[6a]-3:C-3:H-1:	P-4:C-3:	C(CC[6a]H)(COO)(NP)	C(C[6a]C[6a]2)(CCN)(H)	N(PC[6a]3)(CCC)	C(CC[6a]H)(COO)(NP)	C(C[6a]C[6a]2)(CCN)(H)	N(PC[6a]3)(CCC)	123.7862	0.483	6	123.7862	0.233	6	123.7862	0.233	6	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	S-4:C-3:	C(CCH)(NCC)(NS)	C(CC[5]H)(CNN)(H)	N(SC[6a]OO)(CCN)	C(CCH)(NCC)(NS)	C(CC[5]H)(CNN)(H)	N(SC[6a]OO)(CCN)	123.4630	0.000	1	123.4630	0.000	1	124.3486	1.734	5	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	S-4:C-3:	C(CCH)(NCC)(NS)	C(CC[6a]C)(CNN)(H)	N(SCOO)(CCN)	C(CCH)(NCC)(NS)	C(CC[6a]C)(CNN)(H)	N(SCOO)(CCN)	123.7270	0.000	1	123.7270	0.000	1	124.3486	1.734	5	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	S-4:C-3:	C(CCH)(NCC)(NS)	C(CC[6a]H)(CNN)(H)	N(SC[6a]OO)(CCN)	C(CCH)(NCC)(NS)	C(CC[6a]H)(CNN)(H)	N(SC[6a]OO)(CCN)	126.6490	0.000	1	126.6490	0.000	1	124.3486	1.734	5	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	S-4:C-3:	C(CCH)(NCC)(NS)	C(CHH)(CNN)(H)	N(SC[6a]OO)(CCN)	C(CCH)(NCC)(NS)	C(CHH)(CNN)(H)	N(SC[6a]OO)(CCN)	123.9520	0.399	2	123.9520	0.159	2	124.3486	1.734	5	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C-3:N-3:N-2:	C-3:N-3:O-1:	S-4:C-3:	C(CNO)(NCH)(NS)	C(CNN)(NCH)(O)	N(SC[6a]OO)(CCN)	C(CNO)(NCH)(NS)	C(CNN)(NCH)(O)	N(SC[6a]OO)(CCN)	125.9190	0.147	2	125.9190	0.022	2	125.9190	0.022	2	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C-3:N-3:N-2:	C[6a]-3:C-3:H-1:	S-4:C-3:	C(CC[6a]H)(NCS)(NS)	C(C[6a]C[6a]2)(CNN)(H)	N(SC[6a]2O)(CCN)	C(CC[6a]H)(NCS)(NS)	C(C[6a]C[6a]2)(CNN)(H)	N(SC[6a]2O)(CCN)	127.8250	0.000	1	127.8250	0.000	1	127.8250	0.000	1	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C[5a]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	S-4:C-3:	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NS)	C(C[6a]C[6a]2)(CC[5a]N)(O)	N(SC[6a]OO)(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NS)	C(C[6a]C[6a]2)(CC[5a]N)(O)	N(SC[6a]OO)(CC[5a]C)	123.1540	0.000	1	123.1540	0.000	1	123.1540	0.000	1	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C-3:N-2:	C-3:C-3:H-1:	S-4:C-3:	C(C[6a]C[6a]2)(CCH)(NS)	C(CC[6a]N)(CCH)(H)	N(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NS)	C(CC[6a]N)(CCH)(H)	N(SC[6a]OO)(CC[6a]C)	123.0010	0.000	1	123.0010	0.000	1	123.0010	0.000	1	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C-3:N-2:	C-3:C-3:I-1:	S-4:C-3:	C(C[6a]C[6a]2)(CCI)(NS)	C(CC[6a]2)(CC[6a]N)(I)	N(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(NS)	C(CC[6a]2)(CC[6a]N)(I)	N(SC[6a]OO)(CC[6a]C)	125.4360	0.000	1	125.4360	0.000	1	125.4360	0.000	1	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C-3:N-2:	C-3:N-3:O-1:	C-4:C-3:	C(C[6a]C[6a]2)(CNO)(NC)	C(CC[6a]N)(NCH)(O)	N(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(NC)	C(CC[6a]N)(NCH)(O)	N(CC[6a]HH)(CC[6a]C)	122.7370	0.000	1	122.7370	0.000	1	122.7370	0.000	1	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(CC[6a]CH)(CC[6a]C)	121.7020	0.000	1	121.7020	0.000	1	121.7020	0.000	1	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:	N[6]-3:C-3:N-2:	C-3:C-3:H-1:	S-4:C-3:	C(N[6]C[6]2)(CCH)(NS)	C(CN[6]N)(CHH)(H)	N(SC[6a]OO)(CN[6]C)	C(N[6]C[6]2)(CCH)(NS)	C(CN[6]N)(CHH)(H)	N(SC[6a]OO)(CN[6]C)	122.7345	0.042	2	122.7345	0.002	2	122.7345	0.002	2	123.9473	3.863	26	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:1:	C-3:C-3:N-2:	C-3:C-3:N-2:	C-3:C-1:	C(CC[6a]H)(CCN)(NC)	C(CC[6a]H)(CCN)(NC)	N(CCC)(C)	C(CC[6a]H)(CCN)(NC)	C(CC[6a]H)(CCN)(NC)	N(CCC)(C)	113.5550	0.000	1	113.5550	0.000	1	113.5550	0.000	1	114.8755	3.487	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:1:	C[6a]-3:C-3:N-2:	C-3:N-3:N-2:	C-3:N-1:	C(C[6a]C[6a]2)(CNN)(NN)	C(CC[6a]N)(NCC)(NS)	N(CC[6a]C)(N)	C(C[6a]C[6a]2)(CNN)(NN)	C(CC[6a]N)(NCC)(NS)	N(CC[6a]C)(N)	116.1960	0.000	1	116.1960	0.000	1	116.1960	0.000	1	114.8755	3.487	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:2:	C-3:N-3:N-2:	C-3:N-3:N-2:	C-3:O-2:	C(CNN)(NHH)(NO)	C(CNN)(NHH)(NO)	N(CCN)(OH)	C(CNN)(NHH)(NO)	C(CNN)(NHH)(NO)	N(CCN)(OH)	115.4103	0.132	3	115.4103	0.017	3	115.4103	0.017	3	120.6324	8.843	36	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:2:	C-3:N-3:N-2:	C[6a]-3:C-3:N-2:	C-3:O-2:	C(CC[6a]N)(NCH)(NO)	C(C[6a]C[6a]2)(CNN)(NO)	N(CCN)(OH)	C(CC[6a]N)(NCH)(NO)	C(C[6a]C[6a]2)(CNN)(NO)	N(CCN)(OH)	111.7100	0.000	1	111.7100	0.000	1	111.7100	0.000	1	120.6324	8.843	36	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C-3:N-2:	C-3:N-3:N-2:	C-3:O-2:	C(C[6a]C[6a]2)(CNN)(NO)	C(CC[6a]N)(NCH)(NO)	N(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CNN)(NO)	C(CC[6a]N)(NCH)(NO)	N(CC[6a]C)(OH)	121.3720	0.000	1	121.3720	0.000	1	121.3720	0.000	1	120.6324	8.843	36	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NC)	121.6800	1.404	30	121.6800	1.970	30	121.6800	1.970	30	120.6324	8.843	36	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]N)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(NO)	N(CC[6a]C)(OS)	C(C[6a]C[6a]2)(CC[6a]N)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(NO)	N(CC[6a]C)(OS)	113.0540	0.000	1	113.0540	0.000	1	113.0540	0.000	1	120.6324	8.843	36	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:	C-3:N-3:N-2:	C-3:N-3:C-2:	C-3:C-3:	C(CCN)(NCC)(NC)	C(CNN)(NOO)(CN)	N(CCN)2	C(CCN)(NCC)(NC)	C(CNN)(NOO)(CN)	N(CCN)2	119.7840	0.000	1	119.7840	0.000	1	119.7840	0.000	1	122.5317	13.338	22	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:	C[5a]-3:C-3:N-2:	C[5a]-3:C-3:N-2:	C[6a]-3:C-3:	C(C[5a]C[5a]S[5a])(CC[5a]N)(NC[6a])	C(C[5a]C[5a]S[5a])(CC[5a]N)(NC[6a])	N(C[6a]C[6a]2)(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[5a]N)(NC[6a])	C(C[5a]C[5a]S[5a])(CC[5a]N)(NC[6a])	N(C[6a]C[6a]2)(CC[5a]C)	125.3443	0.664	6	125.3443	0.441	6	125.3443	0.441	6	122.5317	13.338	22	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NCH)	117.0238	5.424	4	117.0238	29.418	4	121.1630	17.916	12	122.5317	13.338	22	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NCoC)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NCoC)	123.8885	1.807	2	123.8885	3.264	2	121.1630	17.916	12	122.5317	13.338	22	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NHH)	123.2873	0.487	4	123.2873	0.237	4	121.1630	17.916	12	122.5317	13.338	22	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NHP)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	N(CC[6a]C)(NHP)	122.4675	0.037	2	122.4675	0.001	2	121.1630	17.916	12	122.5317	13.338	22	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]C)	123.2970	0.887	3	123.2970	0.786	3	123.2970	0.786	3	122.5317	13.338	22	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	N(CC[6a]C)(CCCH)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	N(CC[6a]C)(CCCH)	123.3018	0.593	6	123.3018	0.351	6	122.7613	1.253	8	122.7613	1.253	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:N-2:	C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	N(CC[6a]C)(CCHH)	121.1395	0.013	2	121.1395	0.000	2	122.7613	1.253	8	122.7613	1.253	8	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:3:	C-3:N-3:N-2:	C[6a]-3:C-3:N-2:	S-4:C-3:	C(CC[6a]N)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(NN)	N(SC[6a]OO)(CCN)	C(CC[6a]N)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(NN)	N(SC[6a]OO)(CCN)	124.1550	0.000	1	124.1550	0.000	1	124.1550	0.000	1	124.7420	0.294	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:N-2:	C[6]-4:C-3:	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	N(C[6]C[6]2H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	N(C[6]C[6]2H)(CC[6a]C)	124.8888	0.498	4	124.8888	0.248	4	124.8888	0.248	4	124.7420	0.294	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:N-2:	C[6,6]-3:C-3:C-3:	C-3:H-1:	C(C[6a]C[6a]2)(CC[6,6]C)(NH)	C(C[6,6]C[3x6]2)(CC[6a]N)(CC[6a]O)	N(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6,6]C)(NH)	C(C[6,6]C[3x6]2)(CC[6a]N)(CC[6a]O)	N(CC[6a]C)(H)	121.7490	0.000	1	121.7490	0.000	1	121.7490	0.000	1	122.3940	0.327	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:1:	N-3:C-3:N-2:	N-3:C-3:N-3:	C-3:H-1:	C(NCoO)(CNN)(NH)	C(NCoO)(CNN)(NHH)	N(CCN)(H)	C(NCoO)(CNN)(NH)	C(NCoO)(CNN)(NHH)	N(CCN)(H)	122.7165	0.175	2	122.7165	0.031	2	122.7165	0.031	2	122.3940	0.327	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:2:	C-3:N-3:N-2:	C-3:N-3:N-3:	C-3:O-2:	C(CNN)(NHH)(NO)	C(CNN)(NHH)(NHO)	N(CCN)(OH)	C(CNN)(NHH)(NO)	C(CNN)(NHH)(NHO)	N(CCN)(OH)	114.5050	0.000	1	114.5050	0.000	1	114.5050	0.000	1	114.5050	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:3:	C-3:C-3:N-2:	C-3:C-3:N-3:	N-3:C-3:	C(CCN)(CCO)(NN)	C(CCN)(CHN)(NCC)	N(NC[6a]H)(CCC)	C(CCN)(CCO)(NN)	C(CCN)(CHN)(NCC)	N(NC[6a]H)(CCC)	126.5280	0.000	1	126.5280	0.000	1	126.5280	0.000	1	124.3414	30.449	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	N(CC[6a]C)(CC[6]H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	N(CC[6a]C)(CC[6]H)	122.8490	0.000	1	122.8490	0.000	1	122.8490	0.000	1	124.3414	30.449	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]C)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	N(CC[6a]C)(NHS)	C(C[6a]C[6a]2)(CC[6a]C)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	N(CC[6a]C)(NHS)	115.3780	0.000	1	115.3780	0.000	1	115.3780	0.000	1	124.3414	30.449	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:N-3:	C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NPdN)	N(CC[6a]C)(NC[6]Pd)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NPdN)	N(CC[6a]C)(NC[6]Pd)	128.4760	0.505	2	128.4760	0.255	2	128.4760	0.255	2	124.3414	30.449	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:4:	C[5]-3:C-3:N-2:	C[5]-3:C-3:N-3:	C-3:C-4:	C(C[5]C[5,6a]N[5])(CC[5]N)(NC)	C(C[5]C[5,6a]N[5])(CC[5]N)(NCC)	N(CC[5]C)(CCHH)	C(C[5]C[5,6a]N[5])(CC[5]N)(NC)	C(C[5]C[5,6a]N[5])(CC[5]N)(NCC)	N(CC[5]C)(CCHH)	114.8490	0.000	1	114.8490	0.000	1	114.8490	0.000	1	120.3165	59.787	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:N-2:	C-3:C-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CCC)(NC)	C(CC[6a]2)(CC[6a]N)(CCO)	N(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCC)(NC)	C(CC[6a]2)(CC[6a]N)(CCO)	N(CC[6a]C)(CCHH)	125.7840	0.000	1	125.7840	0.000	1	125.7840	0.000	1	120.3165	59.787	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:3:	C-3:C-3:N-2:	C-3:C-3:N-3:	C-4:C-3:	C(CCH)(CCN)(NC)	C(CCH)(CCN)(NCH)	N(CC3)(CCC)	C(CCH)(CCN)(NC)	C(CCH)(CCN)(NCH)	N(CC3)(CCC)	112.2615	0.078	2	112.2615	0.006	2	112.2615	0.006	2	120.0036	41.208	13	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:3:	C-3:C-3:N-2:	C-3:C-3:N-3:	S-4:C-3:	C(CCH)(CCN)(NS)	C(CCH)(CCN)(NCH)	N(SC[6a]OO)(CCC)	C(CCH)(CCN)(NS)	C(CCH)(CCN)(NCH)	N(SC[6a]OO)(CCC)	110.7200	0.000	1	110.7200	0.000	1	110.7200	0.000	1	120.0036	41.208	13	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:3:	C-3:N-3:N-2:	C-3:C-3:C-3:	S-4:C-3:	C(CCC)(NCC)(NS)	C(CC[6a]H)(CNN)(COO)	N(SC[6a]OO)(CCN)	C(CCC)(NCC)(NS)	C(CC[6a]H)(CNN)(COO)	N(SC[6a]OO)(CCN)	121.6760	0.000	1	121.6760	0.000	1	123.7275	8.417	2	120.0036	41.208	13	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:3:	C-3:N-3:N-2:	C-3:C-3:C-3:	S-4:C-3:	C(CCC)(NCH)(NS)	C(CC[6a]H)(CNN)(COO)	N(SC[6a]OO)(CCN)	C(CCC)(NCH)(NS)	C(CC[6a]H)(CNN)(COO)	N(SC[6a]OO)(CCN)	125.7790	0.000	1	125.7790	0.000	1	123.7275	8.417	2	120.0036	41.208	13	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:3:	C-3:N-3:N-2:	C[6]-3:C-3:C-3:	S-4:C-3:	C(CC[6]C)(NCC)(NS)	C(C[6]C[6]2)(CHO)(CNN)	N(SC[6a]OO)(CCN)	C(CC[6]C)(NCC)(NS)	C(C[6]C[6]2)(CHO)(CNN)	N(SC[6a]OO)(CCN)	125.8340	0.000	1	125.8340	0.000	1	125.8340	0.000	1	120.0036	41.208	13	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:3:	C-3:N-3:N-2:	C[6a]-3:C-3:C-3:	S-4:C-3:	C(CC[6a]C)(NCC)(NS)	C(C[6a]C[6a]2)(CHO)(CNN)	N(SC[6a]OO)(CCN)	C(CC[6a]C)(NCC)(NS)	C(C[6a]C[6a]2)(CHO)(CNN)	N(SC[6a]OO)(CCN)	125.7390	0.000	1	125.7390	0.000	1	125.7390	0.000	1	120.0036	41.208	13	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:3:	N-3:C-3:N-2:	C-3:C-3:C-3:	S-4:C-3:	C(NC[6a]H)(CCC)(NS)	C(CC[6a]N)(CNN)(CNO)	N(SC[6a]OO)(CCN)	C(NC[6a]H)(CCC)(NS)	C(CC[6a]N)(CNN)(CNO)	N(SC[6a]OO)(CCN)	120.9386	6.705	5	120.9386	44.963	5	120.9386	44.963	5	120.0036	41.208	13	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:3:	N-3:C-3:N-2:	N-3:C-3:N-3:	C-4:C-3:	C(NPdO)(CNN)(NC)	C(NPdO)(CNN)(NCH)	N(CCHH)(CCN)	C(NPdO)(CNN)(NC)	C(NPdO)(CNN)(NCH)	N(CCHH)(CCN)	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	120.0036	41.208	13	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:4:	3:3:	C[6a]-3:C-3:N-2:	C-3:N-3:C-4:	C-3:N-3:	C(C[6a]C[6a]2)(CCN)(NN)	C(CC[6a]N)(NCuO)(CH3)	N(CC[6a]C)(NCuC)	C(C[6a]C[6a]2)(CCN)(NN)	C(CC[6a]N)(NCuO)(CH3)	N(CC[6a]C)(NCuC)	128.2740	0.000	1	128.2740	0.000	1	128.2740	0.000	1	128.2740	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:C-4:H-1:	C-3:N-2:	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]N)(CCHH)(H)	N(CC[6a]C)(NN)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]N)(CCHH)(H)	N(CC[6a]C)(NN)	116.9380	0.000	1	116.9380	0.000	1	116.9380	0.000	1	119.6770	15.004	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:1:	3:2:	C[6a]-3:C-3:N-2:	C-3:C-4:O-1:	C-3:N-2:	C(C[6a]C[6a]2)(CCO)(NN)	C(CC[6a]N)(CCHH)(O)	N(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CCO)(NN)	C(CC[6a]N)(CCHH)(O)	N(CC[6a]C)(NC)	122.4160	0.000	1	122.4160	0.000	1	122.4160	0.000	1	119.6770	15.004	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:1:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-4:O-1:	C-3:N-3:	C(C[6a]C[6a]N[6a])(CCO)(NN)	C(CC[6a]N)(CCHH)(O)	N(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CCO)(NN)	C(CC[6a]N)(CCHH)(O)	N(CC[6a]C)(NC[6a]H)	115.8850	0.000	1	115.8850	0.000	1	115.8850	0.000	1	116.3315	0.399	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:1:	3:3:	N[6]-3:C-3:N-2:	C-3:C-4:O-1:	N-3:C-3:	C(N[6]C[6]2)(CCO)(NN)	C(CN[6]N)(CH3)(O)	N(NC[6a]H)(CN[6]C)	C(N[6]C[6]2)(CCO)(NN)	C(CN[6]N)(CH3)(O)	N(NC[6a]H)(CN[6]C)	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	116.3315	0.399	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:2:	3:3:	C[6]-3:C-3:N-2:	C-3:C-4:O-2:	N-3:C-3:	C(C[6]C[6]N[6])(CCO)(NN)	C(CC[6]N)(CCHH)(OZn)	N(NC[6a]Zn)(CC[6]C)	C(C[6]C[6]N[6])(CCO)(NN)	C(CC[6]N)(CCHH)(OZn)	N(NC[6a]Zn)(CC[6]C)	128.1700	0.177	2	128.1700	0.031	2	128.1700	0.031	2	120.8920	44.912	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:2:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-4:N-2:	C-3:N-3:	C(C[6a]C[6a]2)(CCN)(NN)	C(CC[6a]N)(CH3)(NO)	N(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CCN)(NN)	C(CC[6a]N)(CH3)(NO)	N(CC[6a]C)(NCH)	116.6920	0.709	2	116.6920	0.502	2	116.0400	1.526	3	120.8920	44.912	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:2:	3:3:	C[6a]-3:C-3:N-2:	C-3:C-4:N-2:	C-3:N-3:	C(C[6a]C[6a]2)(CCN)(NN)	C(CC[6a]N)(CH3)(NO)	N(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CCN)(NN)	C(CC[6a]N)(CH3)(NO)	N(CC[6a]C)(NHH)	114.7360	0.000	1	114.7360	0.000	1	116.0400	1.526	3	120.8920	44.912	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:3:	3:3:	O-3:C-3:N-2:	N-3:C-4:C-3:	N-3:C-3:	C(OFe2)(CCN)(NN)	C(NFeO)(CH3)(CNO)	N(NFeC)(CCO)	C(OFe2)(CCN)(NN)	C(NFeO)(CH3)(CNO)	N(NFeC)(CCO)	122.7060	0.024	2	122.7060	0.001	2	119.6685	12.422	4	119.6685	12.422	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:3:	3:3:	O-3:C-3:N-2:	N-3:C-4:C-3:	N-3:C-3:	C(ONi2)(CCN)(NN)	C(NNiO)(CH3)(CNO)	N(NNiC)(CCO)	C(ONi2)(CCN)(NN)	C(NNiO)(CH3)(CNO)	N(NNiC)(CCO)	116.6310	0.600	2	116.6310	0.360	2	119.6685	12.422	4	119.6685	12.422	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:3:	4:3:	C-3:N-3:N-2:	C[6a]-3:P-4:C-3:	S-4:C-3:	C(CC[6a]P)(NC[6a]C)(NS)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	N(SCOO)(CCN)	C(CC[6a]P)(NC[6a]C)(NS)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	N(SCOO)(CCN)	119.8290	0.000	1	119.8290	0.000	1	118.1440	3.432	3	118.1440	3.432	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:3:	4:3:	C-3:N-3:N-2:	C[6a]-3:P-4:C-3:	S-4:C-3:	C(CC[6a]P)(NC[6a]H)(NS)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	N(SC[6a]OO)(CCN)	C(CC[6a]P)(NC[6a]H)(NS)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	N(SC[6a]OO)(CCN)	117.3015	1.614	2	117.3015	2.606	2	118.1440	3.432	3	118.1440	3.432	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	2:3:	C-3:C-3:N-2:	C-4:C-3:O-1:	N-2:C-3:	C(CCN)(CCO)(NN)	C(CH3)(CCN)(O)	N(NC[6a])(CCC)	C(CCN)(CCO)(NN)	C(CH3)(CCN)(O)	N(NC[6a])(CCC)	112.1980	0.000	1	112.1980	0.000	1	112.5570	0.258	2	112.5570	0.258	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	2:3:	C-3:C-3:N-2:	C-4:C-3:O-1:	N-2:C-3:	C(CCO)(COO)(NN)	C(CClHH)(CCN)(O)	N(NC[6a])(CCC)	C(CCO)(COO)(NN)	C(CClHH)(CCN)(O)	N(NC[6a])(CCC)	112.9160	0.000	1	112.9160	0.000	1	112.5570	0.258	2	112.5570	0.258	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:N-1:	C(CCO)(COO)(NN)	C(CCHH)(CCN)(O)	N(CCC)(N)	C(CCO)(COO)(NN)	C(CCHH)(CCN)(O)	N(CCC)(N)	114.1905	2.180	2	114.1905	4.752	2	114.1905	4.752	2	114.1905	4.752	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:2:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:	C(CCO)(COO)(NO)	C(CC[5]HH)(CCN)(O)	N(CCC)(OC)	C(CCO)(COO)(NO)	C(CC[5]HH)(CCN)(O)	N(CCC)(OC)	119.2320	0.000	1	119.2320	0.000	1	118.1605	0.391	6	118.1605	0.391	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:2:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:	C(CCO)(COO)(NO)	C(CC[6]HH)(CCN)(O)	N(CCC)(OC)	C(CCO)(COO)(NO)	C(CC[6]HH)(CCN)(O)	N(CCC)(OC)	117.9460	0.658	2	117.9460	0.432	2	118.1605	0.391	6	118.1605	0.391	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:2:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:	C(CCO)(COO)(NO)	C(CH3)(CCN)(O)	N(CCC)(OC)	C(CCO)(COO)(NO)	C(CH3)(CCN)(O)	N(CCC)(OC)	118.0030	0.000	1	118.0030	0.000	1	118.1605	0.391	6	118.1605	0.391	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:2:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:	C(CCO)(COO)(NO)	C(CH3)(CCN)(O)	N(CCC)(OH)	C(CCO)(COO)(NO)	C(CH3)(CCN)(O)	N(CCC)(OH)	117.6540	0.000	1	117.6540	0.000	1	118.1605	0.391	6	118.1605	0.391	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:2:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:	C(CCO)(COO)(NO)	C(CHHS)(CCN)(O)	N(CCC)(OC)	C(CCO)(COO)(NO)	C(CHHS)(CCN)(O)	N(CCC)(OC)	118.1820	0.000	1	118.1820	0.000	1	118.1605	0.391	6	118.1605	0.391	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-1:	N-3:C-3:	C(CCN)(CCO)(NN)	C(CH3)(CCN)(O)	N(NC[6a]H)(CCC)	C(CCN)(CCO)(NN)	C(CH3)(CCN)(O)	N(NC[6a]H)(CCC)	115.2830	0.000	1	115.2830	0.000	1	116.6684	22.472	66	116.6684	22.472	66	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-1:	N-3:C-3:	C(CCO)(CHO)(NN)	C(CF3)(CCN)(O)	N(NC[6a]H)(CCC)	C(CCO)(CHO)(NN)	C(CF3)(CCN)(O)	N(NC[6a]H)(CCC)	115.1255	0.356	2	115.1255	0.127	2	116.6684	22.472	66	116.6684	22.472	66	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-1:	N-3:C-3:	C(CCO)(CNO)(NN)	C(CH3)(CCN)(O)	N(NC[6a]H)(CCC)	C(CCO)(CNO)(NN)	C(CH3)(CCN)(O)	N(NC[6a]H)(CCC)	114.8821	1.818	12	114.8821	3.305	12	116.6684	22.472	66	116.6684	22.472	66	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-1:	N-3:C-3:	C(CCO)(COO)(NN)	C(CClHH)(CCN)(O)	N(NC[6a]H)(CCC)	C(CCO)(COO)(NN)	C(CClHH)(CCN)(O)	N(NC[6a]H)(CCC)	114.3036	2.979	12	114.3036	8.873	12	116.6684	22.472	66	116.6684	22.472	66	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-1:	N-3:C-3:	C(CCO)(COO)(NN)	C(CH3)(CCN)(O)	N(NC[6a]H)(CCC)	C(CCO)(COO)(NN)	C(CH3)(CCN)(O)	N(NC[6a]H)(CCC)	119.3967	5.124	15	119.3967	26.258	15	116.6684	22.472	66	116.6684	22.472	66	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-1:	N-3:C-3:	C(CCO)2(NN)	C(CF3)(CCN)(O)	N(NC[6a]H)(CCC)	C(CCO)2(NN)	C(CF3)(CCN)(O)	N(NC[6a]H)(CCC)	116.3310	5.123	3	116.3310	26.243	3	116.6684	22.472	66	116.6684	22.472	66	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-1:	N-3:C-3:	C(CCO)2(NN)	C(CH3)(CCN)(O)	N(NC[6a]Cu)(CCC)	C(CCO)2(NN)	C(CH3)(CCN)(O)	N(NC[6a]Cu)(CCC)	110.8610	0.536	3	110.8610	0.287	3	116.6684	22.472	66	116.6684	22.472	66	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-1:	N-3:C-3:	C(CCO)2(NN)	C(CH3)(CCN)(O)	N(NC[6a]H)(CCC)	C(CCO)2(NN)	C(CH3)(CCN)(O)	N(NC[6a]H)(CCC)	118.9104	5.334	17	118.9104	28.451	17	116.6684	22.472	66	116.6684	22.472	66	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-1:	N-3:C-3:	C(CCO)2(NN)	C(CH3)(CCN)(O)	N(NC[6a]Zn)(CCC)	C(CCO)2(NN)	C(CH3)(CCN)(O)	N(NC[6a]Zn)(CCC)	110.3470	0.000	1	110.3470	0.000	1	116.6684	22.472	66	116.6684	22.472	66	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	4:3:	C[6a]-3:C-3:N-2:	C-4:C-3:H-1:	S-4:C-3:	C(C[6a]C[6a]2)(CCH)(NS)	C(CC[6a]HH)(CC[6a]N)(H)	N(SC[6a]CO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NS)	C(CC[6a]HH)(CC[6a]N)(H)	N(SC[6a]CO)(CC[6a]C)	117.4430	0.000	1	117.4430	0.000	1	117.4430	0.000	1	117.4430	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	2:3:	C-3:C-3:N-2:	C-4:C-3:O-2:	N-2:C-3:	C(CC[6a]O)(CCO)(NN)	C(CC[6a]HH)(CCN)(OC)	N(NC[6a])(CCC)	C(CC[6a]O)(CCO)(NN)	C(CC[6a]HH)(CCN)(OC)	N(NC[6a])(CCC)	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	3:2:	C-3:C-3:N-2:	C-4:C-3:N-2:	C-3:O-2:	C(CCN)(CHH)(NO)	C(CH3)(CCN)(NO)	N(CCC)(OH)	C(CCN)(CHH)(NO)	C(CH3)(CCN)(NO)	N(CCC)(OH)	114.8780	0.000	1	114.8780	0.000	1	116.6255	6.108	2	116.6252	2.037	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	3:2:	C-3:C-3:N-2:	C-4:C-3:N-2:	C-3:O-2:	C(CCN)(COO)(NO)	C(CH3)(CCN)(NN)	N(CCC)(OH)	C(CCN)(COO)(NO)	C(CH3)(CCN)(NN)	N(CCC)(OH)	118.3730	0.000	1	118.3730	0.000	1	116.6255	6.108	2	116.6252	2.037	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	3:2:	C-3:N-3:N-2:	C-4:C-3:N-2:	C-3:O-2:	C(CCN)(NHH)(NO)	C(CCHH)(CNN)(NO)	N(CCN)(OH)	C(CCN)(NHH)(NO)	C(CCHH)(CNN)(NO)	N(CCN)(OH)	116.6670	0.000	1	116.6670	0.000	1	116.6670	0.000	1	116.6252	2.037	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	3:2:	N-3:C-3:N-2:	C-4:C-3:N-2:	C-3:O-2:	C(NC[6a]H)(CCN)(NO)	C(CH3)(CNN)(NO)	N(CCN)(OH)	C(NC[6a]H)(CCN)(NO)	C(CH3)(CNN)(NO)	N(CCN)(OH)	116.5830	0.000	1	116.5830	0.000	1	116.5830	0.000	1	116.6252	2.037	4	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-2:	N-3:C-3:	C(CCO)(COO)(NN)	C(CH3)(CCN)(OCu)	N(NC[6a]Cu)(CCC)	C(CCO)(COO)(NN)	C(CH3)(CCN)(OCu)	N(NC[6a]Cu)(CCC)	126.5460	0.957	2	126.5460	0.917	2	126.1782	0.915	6	126.1782	0.915	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-2:	N-3:C-3:	C(CCO)2(NN)	C(CH3)(CCN)(OCu)	N(NC[6a]Cu)(CCC)	C(CCO)2(NN)	C(CH3)(CCN)(OCu)	N(NC[6a]Cu)(CCC)	125.8590	1.231	3	125.8590	1.517	3	126.1782	0.915	6	126.1782	0.915	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	3:3:	C-3:C-3:N-2:	C-4:C-3:O-2:	N-3:C-3:	C(CCO)2(NN)	C(CH3)(CCN)(OZn)	N(NC[6a]Zn)(CCC)	C(CCO)2(NN)	C(CH3)(CCN)(OZn)	N(NC[6a]Zn)(CCC)	126.4000	0.000	1	126.4000	0.000	1	126.1782	0.915	6	126.1782	0.915	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:3:	2:3:	C-3:C-3:N-2:	C-4:C-3:N-3:	N-2:C-3:	C(CCN)(CCO)(NN)	C(CH3)(CCN)(NHH)	N(NC[6a])(CCC)	C(CCN)(CCO)(NN)	C(CH3)(CCN)(NHH)	N(NC[6a])(CCC)	124.8980	0.000	1	124.8980	0.000	1	124.9130	0.000	2	124.9130	0.000	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:3:	2:3:	C-3:C-3:N-2:	C-4:C-3:N-3:	N-2:C-3:	C(CCN)(COO)(NN)	C(CH3)(CCN)(NHH)	N(NC[6a])(CCC)	C(CCN)(COO)(NN)	C(CH3)(CCN)(NHH)	N(NC[6a])(CCC)	124.9280	0.000	1	124.9280	0.000	1	124.9130	0.000	2	124.9130	0.000	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:4:	3:3:	C[6a]-3:C-3:N-2:	P[5]-4:C-3:S-4:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	C(P[5]C[5,6a]C[6a]O[5])(CC[6a]N)(SCOO)	N(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	C(P[5]C[5,6a]C[6a]O[5])(CC[6a]N)(SCOO)	N(C[6a]C[6a]2)(CC[6a]C)	107.2440	0.163	2	107.2440	0.026	2	107.2440	0.026	2	107.2440	0.026	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:4:2:	3:2:1:	3:3:	C-3:C-4:N-2:	C-3:N-2:Cl-1:	C-3:N-3:	C(CClN)(CH3)(NN)	C(CCN)(NN)(Cl)	N(CCC)(NCH)	C(CClN)(CH3)(NN)	C(CCN)(NN)(Cl)	N(CCC)(NCH)	115.0740	0.625	2	115.0740	0.391	2	115.0740	0.391	2	115.0740	0.391	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:4:2:	3:3:1:	2:3:	C-3:C-4:N-2:	C-3:C-3:Cl-1:	N-2:C-3:	C(CClC)(CH3)(NN)	C(CCN)(COO)(Cl)	N(NC[6])(CCC)	C(CClC)(CH3)(NN)	C(CCN)(COO)(Cl)	N(NC[6])(CCC)	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:4:2:	3:3:1:	3:1:	C-3:C-4:N-2:	N[5]-3:C-3:O-1:	C-3:N-1:	C(CN[5]O)(CH3)(NN)	C(N[5]C[5,5,6]S[5])(CCN)(O)	N(CCC)(N)	C(CN[5]O)(CH3)(NN)	C(N[5]C[5,5,6]S[5])(CCN)(O)	N(CCC)(N)	118.6170	0.000	1	118.6170	0.000	1	118.6170	0.000	1	118.6170	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:4:2:	3:3:1:	3:2:	C-3:C-4:N-2:	C[5a]-3:C-3:O-1:	C-3:O-2:	C(CC[5a]O)(CH3)(NO)	C(C[5a]C[5a]2)(CCN)(O)	N(CCC)(OH)	C(CC[5a]O)(CH3)(NO)	C(C[5a]C[5a]2)(CCN)(O)	N(CCC)(OH)	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	115.7387	0.107	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:4:2:	3:3:1:	3:2:	C-3:C-4:N-2:	C[6a]-3:C-3:O-1:	C-3:O-2:	C(CC[6a]O)(CH3)(NO)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(OH)	C(CC[6a]O)(CH3)(NO)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(OH)	115.7890	0.445	2	115.7890	0.198	2	115.7890	0.198	2	115.7387	0.107	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:4:2:	3:3:2:	3:2:	C-3:C-4:N-2:	C[6a]-3:C-3:N-2:	C-3:O-2:	C(CC[6a]N)(CH3)(NO)	C(C[6a]C[6a]2)(CCN)(NN)	N(CCC)(OC)	C(CC[6a]N)(CH3)(NO)	C(C[6a]C[6a]2)(CCN)(NN)	N(CCC)(OC)	114.1550	0.000	1	114.1550	0.000	1	114.5097	0.616	3	114.5097	0.616	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:4:2:	3:3:2:	3:2:	C-3:C-4:N-2:	C[6a]-3:C-3:N-2:	C-3:O-2:	C(CC[6a]N)(CH3)(NO)	C(C[6a]C[6a]2)(CCN)(NN)	N(CCC)(OH)	C(CC[6a]N)(CH3)(NO)	C(C[6a]C[6a]2)(CCN)(NN)	N(CCC)(OH)	114.6870	1.021	2	114.6870	1.043	2	114.5097	0.616	3	114.5097	0.616	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:4:2:	3:3:3:	4:3:	C-3:C-4:N-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:	C(CC[6a]2)(CCHN)(NS)	C(C[6a]C[6a]2)2(CCN)	N(SC[6a]OO)(CCC)	C(CC[6a]2)(CCHN)(NS)	C(C[6a]C[6a]2)2(CCN)	N(SC[6a]OO)(CCC)	121.7450	0.000	1	121.7450	0.000	1	121.7450	0.000	1	121.1635	0.676	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	3:4:2:	3:3:3:	4:3:	C-3:C-4:N-2:	N[5]-3:C-3:C-3:	C-4:C-3:	C(CN[5]C)(CH3)(NC)	C(N[5]C[5]2)(CCN)2	N(CC[6a]CH)(CCC)	C(CN[5]C)(CH3)(NC)	C(N[5]C[5]2)(CCN)2	N(CC[6a]CH)(CCC)	120.5820	0.000	1	120.5820	0.000	1	120.5820	0.000	1	121.1635	0.676	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:2:3:	3:3:3:	3:3:	P-4:N-2:C-3:	N-3:P-3:C-3:	C[6a]-3:C-3:	C(PC[6a]2Mo)(NC[6a])(CNP)	C(NC[6a]Mo)(PC[6a]2)(CNP)	N(C[6a]C[6a]2)(CCP)	C(PC[6a]2Mo)(NC[6a])(CNP)	C(NC[6a]Mo)(PC[6a]2)(CNP)	N(C[6a]C[6a]2)(CCP)	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:2:3:	4:2:3:	3:3:	P-4:N-2:C-3:	P-4:N-2:C-3:	C[6a]-3:C-3:	C(PC[6a]2Cu)(NC[6a])(CNP)	C(PC[6a]2Cu)(NC[6a])(CNP)	N(C[6a]C[6a]2)(CCP)	C(PC[6a]2Cu)(NC[6a])(CNP)	C(PC[6a]2Cu)(NC[6a])(CNP)	N(C[6a]C[6a]2)(CCP)	127.2220	0.761	2	127.2220	0.579	2	127.2220	0.579	2	127.2220	0.579	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	2:4:3:	3:2:	C-4:C-3:N-2:	N-2:C-4:C-3:	C-3:N-2:	C(CH3)(CCN)(NN)	C(NC[6a])(CH3)(CCN)	N(CCC)(NC)	C(CH3)(CCN)(NN)	C(NC[6a])(CH3)(CCN)	N(CCC)(NC)	115.5685	0.100	2	115.5685	0.010	2	115.5685	0.010	2	115.5685	0.010	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:1:1:	3:2:	C-4:C-3:N-2:	C-3:H-1:O-1:	C-3:O-2:	C(CCHH)(CHO)(NO)	C(CCN)(H)(O)	N(CCC)(OH)	C(CCHH)(CHO)(NO)	C(CCN)(H)(O)	N(CCC)(OH)	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	114.0040	2.738	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:1:1:	3:2:	C-4:C-3:N-2:	C-3:O-1:O-1:	C-3:O-2:	C(CH3)(COO)(NO)	C(CCN)(O)2	N(CCC)(OH)	C(CH3)(COO)(NO)	C(CCN)(O)2	N(CCC)(OH)	115.1740	0.000	1	115.1740	0.000	1	115.1740	0.000	1	114.0040	2.738	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:1:	C-4:C-3:N-2:	C-3:N-2:Cl-1:	C-3:O-1:	C(CCHH)(CClN)(NO)	C(CCN)(NO)(Cl)	N(CCC)(O)	C(CCHH)(CClN)(NO)	C(CCN)(NO)(Cl)	N(CCC)(O)	114.1600	0.781	2	114.1600	0.609	2	114.1600	0.609	2	116.4094	4.669	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:1:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(CCHN)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	C(CCHN)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	117.1510	0.543	2	117.1510	0.295	2	116.7047	2.037	7	116.4094	4.669	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:1:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(CCHS)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	C(CCHS)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	113.6020	0.000	1	113.6020	0.000	1	116.7047	2.037	7	116.4094	4.669	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:1:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(CC[6a]HN)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	C(CC[6a]HN)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	116.8545	0.158	2	116.8545	0.025	2	116.7047	2.037	7	116.4094	4.669	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:1:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(CC[6a]N[6]H)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	C(CC[6a]N[6]H)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(N)	117.6600	0.089	2	117.6600	0.008	2	116.7047	2.037	7	116.4094	4.669	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:1:	C[5]-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[5]C[5,6a]C[5a]N[5])(COO)(NN)	C(CC[5]N)(OC)(O)	N(CC[5]C)(N)	C(C[5]C[5,6a]C[5a]N[5])(COO)(NN)	C(CC[5]N)(OC)(O)	N(CC[5]C)(N)	116.1890	0.000	1	116.1890	0.000	1	114.8353	1.388	3	116.4094	4.669	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:1:	C[5]-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[5]C[5]2O)(COO)(NN)	C(CC[5]N)(OC)(O)	N(CC[5]C)(N)	C(C[5]C[5]2O)(COO)(NN)	C(CC[5]N)(OC)(O)	N(CC[5]C)(N)	114.0420	0.000	1	114.0420	0.000	1	114.8353	1.388	3	116.4094	4.669	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:1:	C[5]-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[5]C[5]N[5]C)(COO)(NN)	C(CC[5]N)(OC)(O)	N(CC[5]C)(N)	C(C[5]C[5]N[5]C)(COO)(NN)	C(CC[5]N)(OC)(O)	N(CC[5]C)(N)	114.2750	0.000	1	114.2750	0.000	1	114.8353	1.388	3	116.4094	4.669	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:1:	C[6]-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[6]C[6,6a]N[6]H)(COO)(NN)	C(CC[6]N)(OC)(O)	N(CC[6]C)(N)	C(C[6]C[6,6a]N[6]H)(COO)(NN)	C(CC[6]N)(OC)(O)	N(CC[6]C)(N)	122.3870	0.000	1	122.3870	0.000	1	118.6433	10.543	3	116.4094	4.669	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:1:	C[6]-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[6]C[6]N[6]O)(COO)(NN)	C(CC[6]N)(OC)(O)	N(CC[6]C)(N)	C(C[6]C[6]N[6]O)(COO)(NN)	C(CC[6]N)(OC)(O)	N(CC[6]C)(N)	116.7715	0.252	2	116.7715	0.064	2	118.6433	10.543	3	116.4094	4.669	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:1:	N-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(NC3)(COO)(NN)	C(CNN)(OC)(O)	N(CCN)(N)	C(NC3)(COO)(NN)	C(CNN)(OC)(O)	N(CCN)(N)	116.8610	0.000	1	116.8610	0.000	1	116.8610	0.000	1	116.4094	4.669	16	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:2:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(CCHH)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OH)	C(CCHH)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OH)	113.7680	1.530	2	113.7680	2.341	2	114.3478	1.319	5	115.9498	16.454	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:2:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(CC[5]HH)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OH)	C(CC[5]HH)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OH)	113.6550	0.000	1	113.6550	0.000	1	114.3478	1.319	5	115.9498	16.454	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:2:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(CH3)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OC)	C(CH3)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OC)	115.4560	0.000	1	115.4560	0.000	1	114.3478	1.319	5	115.9498	16.454	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:2:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	C(CH3)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OH)	C(CH3)(COO)(NO)	C(CCN)(OC)(O)	N(CCC)(OH)	115.0920	0.000	1	115.0920	0.000	1	114.3478	1.319	5	115.9498	16.454	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:2:	C[5]-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-2:	C(C[5]C[5,6a]N[5]C)(COO)(NN)	C(CC[5]N)(OC)(O)	N(CC[5]C)(NH)	C(C[5]C[5,6a]N[5]C)(COO)(NN)	C(CC[5]N)(OC)(O)	N(CC[5]C)(NH)	123.9600	0.000	1	123.9600	0.000	1	123.9600	0.000	1	115.9498	16.454	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:N-2:H-1:	C-3:N-3:	C(CCHO)(CHN)(NN)	C(CCN)(NN)(H)	N(CCC)(NCH)	C(CCHO)(CHN)(NN)	C(CCN)(NN)(H)	N(CCC)(NCH)	113.2370	0.000	1	113.2370	0.000	1	113.2370	0.000	1	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:N-2:H-1:	N-3:C-3:	C(CH3)(CHN)(NN)	C(CCN)(NN)(H)	N(NC[6a]H)(CCC)	C(CH3)(CHN)(NN)	C(CCN)(NN)(H)	N(NC[6a]H)(CCC)	114.5470	0.000	1	114.5470	0.000	1	114.5470	0.000	1	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-3:	C(CCHH)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(NCH)	C(CCHH)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(NCH)	123.7380	0.000	1	123.7380	0.000	1	116.0173	11.269	8	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-3:	C(CCHH)(COO)(NN)	C(CCN)(OH)(O)	N(CCC)(NCH)	C(CCHH)(COO)(NN)	C(CCN)(OH)(O)	N(CCC)(NCH)	113.4150	0.000	1	113.4150	0.000	1	116.0173	11.269	8	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-3:	C(CH3)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(NCH)	C(CH3)(COO)(NN)	C(CCN)(OC)(O)	N(CCC)(NCH)	115.2600	0.000	1	115.2600	0.000	1	116.0173	11.269	8	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:O-2:O-1:	C-3:N-3:	C(CH3)(COO)(NN)	C(CCN)(OH)(O)	N(CCC)(NCH)	C(CH3)(COO)(NN)	C(CCN)(OH)(O)	N(CCC)(NCH)	115.1450	1.425	5	115.1450	2.031	5	116.0173	11.269	8	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(CCHH)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]H)(CCC)	C(CCHH)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]H)(CCC)	116.3650	0.000	1	116.3650	0.000	1	117.6221	19.262	7	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(CCHH)(COO)(NN)	C(CCN)(OH)(O)	N(NC[6a]H)(CCC)	C(CCHH)(COO)(NN)	C(CCN)(OH)(O)	N(NC[6a]H)(CCC)	124.5350	0.000	1	124.5350	0.000	1	117.6221	19.262	7	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(CC[6a]CH)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]H)(CCC)	C(CC[6a]CH)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]H)(CCC)	122.9260	0.000	1	122.9260	0.000	1	117.6221	19.262	7	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(CC[6a]HH)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6]H)(CCC)	C(CC[6a]HH)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6]H)(CCC)	115.9310	0.000	1	115.9310	0.000	1	117.6221	19.262	7	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(CH3)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]H)(CCC)	C(CH3)(COO)(NN)	C(CCN)(OC)(O)	N(NC[6a]H)(CCC)	114.9130	2.390	2	114.9130	5.712	2	117.6221	19.262	7	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	C-3:O-2:O-1:	N-3:C-3:	C(CH3)(COO)(NN)	C(CCN)(OH)(O)	N(NC[6a]H)(CCC)	C(CH3)(COO)(NN)	C(CCN)(OH)(O)	N(NC[6a]H)(CCC)	113.7720	0.000	1	113.7720	0.000	1	117.6221	19.262	7	116.4281	13.719	17	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:2:	C-4:C-3:N-2:	C-3:C-3:H-1:	C-3:O-2:	C(CH3)(CCH)(NO)	C(CC[6a]H)(CCN)(H)	N(CCC)(OC)	C(CH3)(CCH)(NO)	C(CC[6a]H)(CCN)(H)	N(CCC)(OC)	114.1020	0.000	1	114.1020	0.000	1	114.1020	0.000	1	116.0542	8.491	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:2:	C-4:C-3:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(CH3)(CNO)(NO)	C(CCN)(NCH)(O)	N(CCC)(OH)	C(CH3)(CNO)(NO)	C(CCN)(NCH)(O)	N(CCC)(OH)	115.0913	1.548	3	115.0913	2.397	3	115.2923	1.162	7	116.0542	8.491	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:2:	C-4:C-3:N-2:	C-3:N-3:O-1:	C-3:O-2:	C(CH3)(CNO)(NO)	C(CCN)(NHN)(O)	N(CCC)(OH)	C(CH3)(CNO)(NO)	C(CCN)(NHN)(O)	N(CCC)(OH)	115.4430	0.809	4	115.4430	0.654	4	115.2923	1.162	7	116.0542	8.491	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:2:	C-4:C-3:N-2:	C[6a]-3:C-3:H-1:	C-3:N-2:	C(CC[6a]HO)(CC[6a]H)(NN)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(NC)	C(CC[6a]HO)(CC[6a]H)(NN)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(NC)	123.3400	0.000	1	123.3400	0.000	1	123.3400	0.000	1	116.0542	8.491	9	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	C-3:C-3:H-1:	C-3:N-3:	C(CH3)(CCH)(NN)	C(CC[5a]H)(CCN)(H)	N(CCC)(NCH)	C(CH3)(CCH)(NN)	C(CC[5a]H)(CCN)(H)	N(CCC)(NCH)	114.4180	0.000	1	114.4180	0.000	1	113.8415	0.665	2	117.6875	22.852	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	C-3:C-3:H-1:	C-3:N-3:	C(CH3)(CCH)(NN)	C(CC[6a]H)(CCN)(H)	N(CCC)(NCH)	C(CH3)(CCH)(NN)	C(CC[6a]H)(CCN)(H)	N(CCC)(NCH)	113.2650	0.000	1	113.2650	0.000	1	113.8415	0.665	2	117.6875	22.852	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	C-3:C-3:H-1:	C-3:S-3:	C(CF3)(CCH)(NS)	C(CC[6a]H)(CCN)(H)	N(CCC)(SCO)	C(CF3)(CCH)(NS)	C(CC[6a]H)(CCN)(H)	N(CCC)(SCO)	129.8650	0.000	1	129.8650	0.000	1	129.8650	0.000	1	117.6875	22.852	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	C-3:C-3:H-1:	N-3:C-3:	C(CCHH)(CCH)(NN)	C(CCH)(CCN)(H)	N(NC[6a]H)(CCC)	C(CCHH)(CCH)(NN)	C(CCH)(CCN)(H)	N(NC[6a]H)(CCC)	112.1480	0.000	1	112.1480	0.000	1	117.9347	55.265	3	117.6875	22.852	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	C-3:C-3:H-1:	N-3:C-3:	C(CH3)(CCH)(NN)	C(CC[5a]H)(CCN)(H)	N(NC[6a]H)(CCC)	C(CH3)(CCH)(NN)	C(CC[5a]H)(CCN)(H)	N(NC[6a]H)(CCC)	126.3190	0.000	1	126.3190	0.000	1	117.9347	55.265	3	117.6875	22.852	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	C-3:C-3:H-1:	N-3:C-3:	C(CH3)(CCH)(NN)	C(CC[6a]H)(CCN)(H)	N(NC[6a]H)(CCC)	C(CH3)(CCH)(NN)	C(CC[6a]H)(CCN)(H)	N(NC[6a]H)(CCC)	115.3370	0.000	1	115.3370	0.000	1	117.9347	55.265	3	117.6875	22.852	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	C-3:C-3:I-1:	N-3:C-3:	C(CCHH)(CCI)(NN)	C(CCH)(CCN)(I)	N(NC[6a]H)(CCC)	C(CCHH)(CCI)(NN)	C(CCH)(CCN)(I)	N(NC[6a]H)(CCC)	115.7520	0.000	1	115.7520	0.000	1	115.7520	0.000	1	117.6875	22.852	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	C-3:N-3:O-1:	C-3:N-3:	C(CC[6a]HH)(CNO)(NN)	C(CCN)(NCH)(O)	N(CCC)(NHH)	C(CC[6a]HH)(CNO)(NN)	C(CCN)(NCH)(O)	N(CCC)(NHH)	115.0370	0.000	1	115.0370	0.000	1	115.0370	0.000	1	117.6875	22.852	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	C-3:N-3:O-1:	N-3:C-3:	C(CH3)(CNO)(NN)	C(CCN)(NCH)(O)	N(NC[6a]H)(CCC)	C(CH3)(CNO)(NN)	C(CCN)(NCH)(O)	N(NC[6a]H)(CCC)	114.3930	0.000	1	114.3930	0.000	1	114.3930	0.000	1	117.6875	22.852	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	3:3:	S-4:C-3:N-2:	C[6a]-3:C-3:O-1:	N-3:C-3:	C(SC[6a]OO)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CNS)(O)	N(NC[6a]H)(CCS)	C(SC[6a]OO)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CNS)(O)	N(NC[6a]H)(CCS)	118.1298	1.255	6	118.1298	1.574	6	118.1298	1.574	6	117.6875	22.852	15	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	4:3:	C-4:C-3:N-2:	C-3:C-3:H-1:	C-4:C-3:	C(CH3)(CCH)(NC)	C(CCN)(CCO)(H)	N(CCHH)(CCC)	C(CH3)(CCH)(NC)	C(CCN)(CCO)(H)	N(CCHH)(CCC)	121.9320	0.000	1	121.9320	0.000	1	121.9060	0.001	2	121.4207	0.707	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	4:3:	C-4:C-3:N-2:	C-3:C-3:H-1:	C-4:C-3:	C(CH3)(CCH)(NC)	C(CCN)2(H)	N(CC[6a]HH)(CCC)	C(CH3)(CCH)(NC)	C(CCN)2(H)	N(CC[6a]HH)(CCC)	121.8800	0.000	1	121.8800	0.000	1	121.9060	0.001	2	121.4207	0.707	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:1:	4:3:	C-4:C-3:N-2:	C-3:C-3:H-1:	Si-4:C-3:	C(CC3)(CCH)(NSi)	C(CC[6a]N)(CCN)(H)	N(SiC3)(CCC)	C(CC3)(CCH)(NSi)	C(CC[6a]N)(CCN)(H)	N(SiC3)(CCC)	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	121.4207	0.707	3	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:2:	2:3:	C-4:C-3:N-2:	C-3:C-3:C-2:	N-2:C-3:	C(CH3)(CCC)(NN)	C(CCN)(CHN)(CN)	N(NC[6a])(CCC)	C(CH3)(CCC)(NN)	C(CCN)(CHN)(CN)	N(NC[6a])(CCC)	114.3380	0.000	1	114.3380	0.000	1	114.3380	0.000	1	114.3380	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:2:	3:2:	C-4:C-3:N-2:	C-3:C-3:N-2:	C-3:N-2:	C(CH3)(CCN)(NN)	C(CCN)(COO)(NO)	N(CCC)(NC)	C(CH3)(CCN)(NN)	C(CCN)(COO)(NO)	N(CCC)(NC)	113.3970	0.000	1	113.3970	0.000	1	113.3970	0.000	1	114.2409	1.202	7	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:2:	3:2:	C-4:C-3:N-2:	C-3:C-3:N-2:	C-3:O-2:	C(CH3)(CCN)(NO)	C(CCN)(CHH)(NO)	N(CCC)(OC)	C(CH3)(CCN)(NO)	C(CCN)(CHH)(NO)	N(CCC)(OC)	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	114.2409	1.202	7	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:2:	3:2:	C-4:C-3:N-2:	C-3:C-3:S-2:	C-3:O-2:	C(CCHH)(CCS)(NO)	C(CC[6a]2)(CCN)(SC)	N(CCC)(OH)	C(CCHH)(CCS)(NO)	C(CC[6a]2)(CCN)(SC)	N(CCC)(OH)	115.7290	0.000	1	115.7290	0.000	1	115.7290	0.000	1	114.2409	1.202	7	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:2:	3:2:	C-4:C-3:N-2:	C-3:N-3:N-2:	C-3:O-2:	C(CCHH)(CNN)(NO)	C(CCN)(NHH)(NO)	N(CCC)(OH)	C(CCHH)(CNN)(NO)	C(CCN)(NHH)(NO)	N(CCC)(OH)	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	114.2409	1.202	7	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:2:	3:2:	C-4:C-3:N-2:	C-3:N-3:O-2:	C-3:O-2:	C(CH3)(CNO)(NO)	C(CCN)(NHN)(OFe)	N(CCC)(OH)	C(CH3)(CNO)(NO)	C(CCN)(NHN)(OFe)	N(CCC)(OH)	113.7735	1.493	2	113.7735	2.228	2	113.7735	2.228	2	114.2409	1.202	7	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:2:	3:2:	C-4:C-3:N-2:	N-3:C-3:N-2:	C-3:O-2:	C(CH3)(CNN)(NO)	C(NC[6a]H)(CCN)(NO)	N(CCC)(OH)	C(CH3)(CNN)(NO)	C(NC[6a]H)(CCN)(NO)	N(CCC)(OH)	115.0550	0.000	1	115.0550	0.000	1	115.0550	0.000	1	114.2409	1.202	7	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:3:	3:1:	C-4:C-3:N-2:	C-3:C-3:C-3:	C-3:H-1:	C(CH3)(CCC)(NH)	C(CCN)2(CHN)	N(CCC)(H)	C(CH3)(CCC)(NH)	C(CCN)2(CHN)	N(CCC)(H)	119.6240	0.000	1	119.6240	0.000	1	119.6240	0.000	1	119.6240	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:3:	3:2:	C-4:C-3:N-2:	C-3:C-3:N-3:	C-3:O-2:	C(CCHH)(CCN)(NO)	C(CC[6a]2)(CCN)(NOO)	N(CCC)(OH)	C(CCHH)(CCN)(NO)	C(CC[6a]2)(CCN)(NOO)	N(CCC)(OH)	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:3:	4:3:	C-4:C-3:N-2:	C-3:C-3:C-3:	C-4:C-3:	C(CH3)(CCC)(NC)	C(CCN)2(CHN)	N(CCHH)(CCC)	C(CH3)(CCC)(NC)	C(CCN)2(CHN)	N(CCHH)(CCC)	121.3320	0.000	1	121.3320	0.000	1	121.3320	0.000	1	120.8365	0.491	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:3:3:	4:3:	C-4:C-3:N-2:	C-3:C-3:N-3:	C-4:C-3:	C(CH3)(CCN)(NC)	C(CCN)(COO)(NCS)	N(CC[6a]HH)(CCC)	C(CH3)(CCN)(NC)	C(CCN)(COO)(NCS)	N(CC[6a]HH)(CCC)	120.3410	0.000	1	120.3410	0.000	1	120.3410	0.000	1	120.8365	0.491	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	3:4:1:	3:3:	C[5,6]-4:C-3:N-2:	C-3:C-4:H-1:	C-3:N-3:	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(NN)	C(CC[5,6]N)(CCHH)(H)	N(CC[5,6]C)(NC[6a]H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(NN)	C(CC[5,6]N)(CCHH)(H)	N(CC[5,6]C)(NC[6a]H)	123.7570	0.000	1	123.7570	0.000	1	123.7570	0.000	1	123.7570	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:1:	2:3:	C-4:C-3:N-2:	C-4:C-3:O-1:	N-2:C-3:	C(CH3)(CCO)(NN)	C(CH3)(CCN)(O)	N(NC[5])(CCC)	C(CH3)(CCO)(NN)	C(CH3)(CCN)(O)	N(NC[5])(CCC)	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:1:	3:2:	C-4:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:	C(CCHH)(CCO)(NO)	C(CCHH)(CCN)(O)	N(CCC)(OH)	C(CCHH)(CCO)(NO)	C(CCHH)(CCN)(O)	N(CCC)(OH)	114.6150	0.000	1	114.6150	0.000	1	113.9250	1.149	6	113.9250	1.149	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:1:	3:2:	C-4:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:	C(CC[6]HH)(CCO)(NO)	C(CCHH)(CCN)(O)	N(CCC)(OH)	C(CC[6]HH)(CCO)(NO)	C(CCHH)(CCN)(O)	N(CCC)(OH)	113.1153	0.292	3	113.1153	0.085	3	113.9250	1.149	6	113.9250	1.149	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:1:	3:2:	C-4:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:	C(CH3)(CCO)(NO)	C(CH3)(CCN)(O)	N(CCC)(OC)	C(CH3)(CCO)(NO)	C(CH3)(CCN)(O)	N(CCC)(OC)	113.8950	0.000	1	113.8950	0.000	1	113.9250	1.149	6	113.9250	1.149	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:1:	3:2:	C-4:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:	C(CH3)(CCO)(NO)	C(CH3)(CCN)(O)	N(CCC)(OH)	C(CH3)(CCO)(NO)	C(CH3)(CCN)(O)	N(CCC)(OH)	115.6940	0.000	1	115.6940	0.000	1	113.9250	1.149	6	113.9250	1.149	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:1:	3:3:	C-4:C-3:N-2:	C-4:C-3:H-1:	C-3:C-3:	C(CCHH)(CCH)(NC)	C(CCHH)(CCN)(H)	N(CC[6a]2)(CCC)	C(CCHH)(CCH)(NC)	C(CCHH)(CCN)(H)	N(CC[6a]2)(CCC)	120.4255	0.344	2	120.4255	0.119	2	120.4255	0.119	2	119.4768	12.695	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:1:	3:3:	C-4:C-3:N-2:	C-4:C-3:O-1:	C-3:N-3:	C(CH3)(CCO)(NN)	C(CH3)(CCN)(O)	N(CCC)(NCH)	C(CH3)(CCO)(NN)	C(CH3)(CCN)(O)	N(CCC)(NCH)	115.4440	0.000	1	115.4440	0.000	1	115.4440	0.000	1	119.4768	12.695	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:1:	3:3:	C-4:C-3:N-2:	C-4:C-3:O-1:	N-3:C-3:	C(CFe2S)(CCO)(NN)	C(CH3)(CCN)(O)	N(NFeC)(CCC)	C(CFe2S)(CCO)(NN)	C(CH3)(CCN)(O)	N(NFeC)(CCC)	116.6510	0.000	1	116.6510	0.000	1	116.6510	0.000	1	119.4768	12.695	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:1:	3:3:	C-4:C-3:N-2:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:	C(CC[6a]2H)(CC[5]H)(NC[6a])	C(C[5]C[5]2Co)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	C(CC[6a]2H)(CC[5]H)(NC[6a])	C(C[5]C[5]2Co)(CCN)(H)	N(C[6a]C[6a]2)(CCC)	124.4380	0.000	1	124.4380	0.000	1	124.4380	0.000	1	119.4768	12.695	5	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:1:	4:3:	C-4:C-3:N-2:	C-4:C-3:H-1:	S-4:C-3:	C(CCHO)(CCH)(NS)	C(CCCH)(CCN)(H)	N(SO3)(CCC)	C(CCHO)(CCH)(NS)	C(CCCH)(CCN)(H)	N(SO3)(CCC)	119.6350	0.000	1	119.6350	0.000	1	119.6350	0.000	1	120.9200	3.302	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:1:	4:3:	C-4:C-3:N-2:	S-4:C-3:H-1:	C-4:C-3:	C(CH3)(CHS)(NC)	C(SCOO)(CCN)(H)	N(CCCH)(CCC)	C(CH3)(CHS)(NC)	C(SCOO)(CCN)(H)	N(CCCH)(CCC)	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	120.9200	3.302	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	2:3:	C-4:C-3:N-2:	C-4:C-3:N-2:	O-2:C-3:	C(CH3)(CCN)(NO)	C(CH3)(CCN)(NO)	N(OC[6a])(CCC)	C(CH3)(CCN)(NO)	C(CH3)(CCN)(NO)	N(OC[6a])(CCC)	113.5895	0.016	2	113.5895	0.000	2	113.5895	0.000	2	113.5895	0.000	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:2:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:N-2:	C(CCHH)(CCN)(NN)	C(CH3)(CCN)(NN)	N(CCC)(NC)	C(CCHH)(CCN)(NN)	C(CH3)(CCN)(NN)	N(CCC)(NC)	114.8960	0.000	1	114.8960	0.000	1	115.1929	0.193	16	114.9411	0.402	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:2:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:N-2:	C(CH3)(CCN)(NN)	C(CCHH)(CCN)(NN)	N(CCC)(NC)	C(CH3)(CCN)(NN)	C(CCHH)(CCN)(NN)	N(CCC)(NC)	114.9150	0.000	1	114.9150	0.000	1	115.1929	0.193	16	114.9411	0.402	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:2:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:N-2:	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NN)	N(CCC)(NC)	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NN)	N(CCC)(NC)	115.2721	0.451	13	115.2721	0.203	13	115.1929	0.193	16	114.9411	0.402	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:2:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:N-2:	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NO)	N(CCC)(NC)	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NO)	N(CCC)(NC)	114.7390	0.000	1	114.7390	0.000	1	115.1929	0.193	16	114.9411	0.402	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:2:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:O-2:	C(CCHH)(CCN)(NO)	C(CCHH)(CCN)(NO)	N(CCC)(OH)	C(CCHH)(CCN)(NO)	C(CCHH)(CCN)(NO)	N(CCC)(OH)	115.3525	0.585	2	115.3525	0.342	2	114.6532	0.507	14	114.9411	0.402	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:2:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:O-2:	C(CH3)(CCN)(NO)	C(CH3)(CCN)(NC)	N(CCC)(OH)	C(CH3)(CCN)(NO)	C(CH3)(CCN)(NC)	N(CCC)(OH)	114.2120	0.000	1	114.2120	0.000	1	114.6532	0.507	14	114.9411	0.402	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:2:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:O-2:	C(CH3)(CCN)(NO)	C(CH3)(CCN)(NN)	N(CCC)(OH)	C(CH3)(CCN)(NO)	C(CH3)(CCN)(NN)	N(CCC)(OH)	114.4518	0.731	8	114.4518	0.534	8	114.6532	0.507	14	114.9411	0.402	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:2:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:O-2:	C(CH3)(CCN)(NO)	C(CH3)(CCN)(NO)	N(CCC)(OH)	C(CH3)(CCN)(NO)	C(CH3)(CCN)(NO)	N(CCC)(OH)	114.8713	0.661	3	114.8713	0.437	3	114.6532	0.507	14	114.9411	0.402	30	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:3:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:N-3:	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NN)	N(CCC)(NCH)	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NN)	N(CCC)(NCH)	114.6075	0.668	2	114.6075	0.447	2	114.9111	0.520	8	121.1574	37.540	24	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:3:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:N-3:	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NN)	N(CCC)(NHP)	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NN)	N(CCC)(NHP)	115.4230	0.000	1	115.4230	0.000	1	114.9111	0.520	8	121.1574	37.540	24	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:3:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:N-3:	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NO)	N(CCC)(NCH)	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NO)	N(CCC)(NCH)	115.2560	0.457	4	115.2560	0.209	4	114.9111	0.520	8	121.1574	37.540	24	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:3:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-3:N-3:	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NO)	N(CCC)(NHS)	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NO)	N(CCC)(NHS)	113.6270	0.000	1	113.6270	0.000	1	114.9111	0.520	8	121.1574	37.540	24	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:3:	C-4:C-3:N-2:	C-4:C-3:N-2:	N-3:C-3:	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NO)	N(NC[6a]H)(CCC)	C(CH3)(CCN)(NN)	C(CH3)(CCN)(NO)	N(NC[6a]H)(CCC)	115.5355	0.613	2	115.5355	0.376	2	115.5355	0.376	2	121.1574	37.540	24	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:3:	C-4:C-3:N-2:	C-4:C-3:O-2:	N-3:C-3:	C(CH3)(CCO)(NN)	C(CH3)(CCN)(OCo)	N(NCoC)(CCC)	C(CH3)(CCO)(NN)	C(CH3)(CCN)(OCo)	N(NCoC)(CCC)	126.9747	0.074	3	126.9747	0.005	3	126.4543	0.567	12	121.1574	37.540	24	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:3:	C-4:C-3:N-2:	C-4:C-3:O-2:	N-3:C-3:	C(CH3)(CCO)(NN)	C(CH3)(CCN)(OFe)	N(NFeC)(CCC)	C(CH3)(CCO)(NN)	C(CH3)(CCN)(OFe)	N(NFeC)(CCC)	126.5690	0.853	6	126.5690	0.727	6	126.4543	0.567	12	121.1574	37.540	24	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:3:	C-4:C-3:N-2:	C-4:C-3:O-2:	N-3:C-3:	C(CH3)(CCO)(NN)	C(CH3)(CCN)(ONi)	N(NNiC)(CCC)	C(CH3)(CCO)(NN)	C(CH3)(CCN)(ONi)	N(NNiC)(CCC)	125.7047	0.094	3	125.7047	0.009	3	126.4543	0.567	12	121.1574	37.540	24	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:3:	C-4:C-3:N-2:	S-4:C-3:N-2:	C-3:N-3:	C(CH3)(CNS)(NN)	C(SC[6a]OO)(CCN)(NN)	N(CCC)(NCH)	C(CH3)(CNS)(NN)	C(SC[6a]OO)(CCN)(NN)	N(CCC)(NCH)	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	121.1574	37.540	24	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	3:3:	S-4:C-3:N-2:	C-4:C-3:N-2:	N-3:C-3:	C(SC[6a]OO)(CCN)(NN)	C(CH3)(CNS)(NN)	N(NC[6a]H)(CCS)	C(SC[6a]OO)(CCN)(NN)	C(CH3)(CNS)(NN)	N(NC[6a]H)(CCS)	128.3000	0.000	1	128.3000	0.000	1	128.3000	0.000	1	121.1574	37.540	24	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:2:	4:3:	C-4:C-3:N-2:	C-4:C-3:N-2:	C-4:C-3:	C(CH3)(CCN)(NC)	C(CH3)(CCN)(NO)	N(CCHH)(CCC)	C(CH3)(CCN)(NC)	C(CH3)(CCN)(NO)	N(CCHH)(CCC)	117.6940	0.000	1	117.6940	0.000	1	117.6940	0.000	1	117.6940	0.000	1	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:3:	3:2:	C-4:C-3:N-2:	S-4:C-3:C-3:	C-3:O-2:	C(CCHH)(CCS)(NO)	C(SC[6a]OO)(CC[6a]2)(CCN)	N(CCC)(OC)	C(CCHH)(CCS)(NO)	C(SC[6a]OO)(CC[6a]2)(CCN)	N(CCC)(OC)	116.0310	0.000	1	116.0310	0.000	1	114.7360	3.354	2	114.7360	3.354	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:3:	3:2:	C-4:C-3:N-2:	S-4:C-3:C-3:	C-3:O-2:	C(CCHH)(CCS)(NO)	C(SC[6a]OO)(CC[6a]2)(CCN)	N(CCC)(OH)	C(CCHH)(CCS)(NO)	C(SC[6a]OO)(CC[6a]2)(CCN)	N(CCC)(OH)	113.4410	0.000	1	113.4410	0.000	1	114.7360	3.354	2	114.7360	3.354	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:3:	3:3:	C-4:C-3:N-2:	C-4:C-3:C-3:	C-3:C-3:	C(CH3)(CCC)(NC)	C(CCHH)(CCN)(CCO)	N(CCC)(CCN)	C(CH3)(CCC)(NC)	C(CCHH)(CCN)(CCO)	N(CCC)(CCN)	122.1530	0.000	1	122.1530	0.000	1	122.9860	1.388	2	122.9860	1.388	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:3:	3:3:	C-4:C-3:N-2:	C-4:C-3:C-3:	C-3:C-3:	C(CH3)(CCC)(NC)	C(CC[6a]CH)(CCN)(CCO)	N(CCC)(CCN)	C(CH3)(CCC)(NC)	C(CC[6a]CH)(CCN)(CCO)	N(CCC)(CCN)	123.8190	0.000	1	123.8190	0.000	1	122.9860	1.388	2	122.9860	1.388	2	119.8295	20.388	1356	119.8295	20.388	1356
930	930	941	0:SP2_SP2_SP2	C	C	N	4:3:2:	4:3:3:	4:3:	C-4:C-3:N-2:	C-4:C-3:C-3:	C-4:C-3:	C(CH3)(CCC)(NC)	C(CH3)(CCN)2	N(CC[6a]HH)(CCC)	C(CH3)(CCC)(NC)	C(CH3)(CCN)2	N(CC[6a]HH)(CCC)	121.1137	0.255	6	121.1137	0.065	6	121.1137	0.065	6	121.1137	0.065	6	119.8295	20.388	1356	119.8295	20.388	1356
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:1:1:	3:	C-3:I-1:I-1:	C-3:I-1:I-1:	C-3:	C(CII)(I)2	C(CII)(I)2	I(CCI)	C(CII)(I)2	C(CII)(I)2	I(CCI)	123.4805	1.721	44	123.4805	2.963	44	123.4805	2.963	44	123.4805	2.963	44	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(I)	C(CCH)(CHI)(H)	I(CCH)	C(CCH)(H)(I)	C(CCH)(CHI)(H)	I(CCH)	125.6830	2.932	4	125.6830	8.594	4	124.3985	10.787	6	123.3753	5.364	19	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(I)	C(CCO)(CHI)(H)	I(CCH)	C(CCH)(H)(I)	C(CCO)(CHI)(H)	I(CCH)	119.7860	0.000	1	119.7860	0.000	1	124.3985	10.787	6	123.3753	5.364	19	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(I)	C(CHI)(COO)(H)	I(CCH)	C(CCH)(H)(I)	C(CHI)(COO)(H)	I(CCH)	123.8730	0.000	1	123.8730	0.000	1	124.3985	10.787	6	123.3753	5.364	19	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]Cl)(H)(I)	C(C[6a]C[6a]2)(CHI)(Cl)	I(CCH)	C(CC[6a]Cl)(H)(I)	C(C[6a]C[6a]2)(CHI)(Cl)	I(CCH)	122.5950	0.629	2	122.5950	0.396	2	122.5950	0.396	2	123.3753	5.364	19	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(H)(I)	C(C[6a]C[6a]2)(CHI)(H)	I(CCH)	C(CC[6a]H)(H)(I)	C(C[6a]C[6a]2)(CHI)(H)	I(CCH)	123.6363	0.879	6	123.6363	0.773	6	123.6363	0.773	6	123.3753	5.364	19	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	N[5a]-3:C-3:H-1:	C-3:	C(CN[5a]H)(H)(I)	C(N[5a]C[5a,6a]2)(CHI)(H)	I(CCH)	C(CN[5a]H)(H)(I)	C(N[5a]C[5a,6a]2)(CHI)(H)	I(CCH)	125.0950	0.000	1	125.0950	0.000	1	125.0950	0.000	1	123.3753	5.364	19	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:1:	3:	C-3:I-1:I-1:	C-3:N-3:H-1:	C-3:	C(CHN)(I)2	C(CII)(NCC)(H)	I(CCI)	C(CHN)(I)2	C(CII)(NCC)(H)	I(CCI)	121.0425	3.388	2	121.0425	11.477	2	121.4090	4.010	4	123.3753	5.364	19	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:1:	3:	C-3:I-1:I-1:	C-3:N-3:H-1:	C-3:	C(CHN)(I)2	C(CII)(NCH)(H)	I(CCI)	C(CHN)(I)2	C(CII)(NCH)(H)	I(CCI)	121.7755	0.127	2	121.7755	0.016	2	121.4090	4.010	4	123.3753	5.364	19	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:3:	3:	C-3:Br-1:I-1:	N[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5a])(Br)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBrI)	I(CBrC)	C(CC[6a]N[5a])(Br)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBrI)	I(CBrC)	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	124.0906	1.402	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:3:	3:	C-3:H-1:I-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)(I)	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	I(CCH)	C(CC[6a]C)(H)(I)	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	I(CCH)	125.3940	0.004	2	125.3940	0.000	2	125.3940	0.000	2	124.0906	1.402	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:3:	3:	C-3:H-1:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(H)(I)	C(C[6a]C[6a]2)2(CHI)	I(CCH)	C(CC[6a]2)(H)(I)	C(C[6a]C[6a]2)2(CHI)	I(CCH)	125.1520	0.000	1	125.1520	0.000	1	125.1520	0.000	1	124.0906	1.402	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:3:	3:	C-3:H-1:I-1:	C[6a]-3:N[5a]-3:C-3:	C-3:	C(CC[6a]N[5a])(H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CHI)	I(CCH)	C(CC[6a]N[5a])(H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CHI)	I(CCH)	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	124.0906	1.402	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:3:3:	3:	C-3:I-1:I-1:	N[6]-3:N-3:C-3:	C-3:	C(CN[6]N)(I)2	C(N[6]C[6]2)(NC[6a]C)(CII)	I(CCI)	C(CN[6]N)(I)2	C(N[6]C[6]2)(NC[6a]C)(CII)	I(CCI)	123.2920	0.069	2	123.2920	0.005	2	123.2920	0.005	2	124.0906	1.402	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	3:4:3:	3:	C-3:H-1:I-1:	C[6a]-3:C[5]-4:C-3:	C-3:	C(CC[6a]C[5])(H)(I)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHI)	I(CCH)	C(CC[6a]C[5])(H)(I)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHI)	I(CCH)	124.2350	0.000	1	124.2350	0.000	1	124.2350	0.000	1	124.2350	0.000	1	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	4:3:1:	3:	C-3:H-1:I-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)(I)	C(CC3)(CHI)(H)	I(CCH)	C(CCH)(H)(I)	C(CC3)(CHI)(H)	I(CCH)	122.3253	0.364	3	122.3253	0.132	3	123.0030	1.925	4	123.2831	0.932	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	4:3:1:	3:	C-3:H-1:I-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)(I)	C(CN[5]HH)(CHI)(H)	I(CCH)	C(CCH)(H)(I)	C(CN[5]HH)(CHI)(H)	I(CCH)	125.0360	0.000	1	125.0360	0.000	1	123.0030	1.925	4	123.2831	0.932	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	4:3:1:	3:	C-3:H-1:I-1:	C-4:C-3:I-1:	C-3:	C(CCI)(H)(I)	C(CHHO)(CHI)(I)	I(CCH)	C(CCI)(H)(I)	C(CHHO)(CHI)(I)	I(CCH)	123.7265	0.602	2	123.7265	0.362	2	123.6130	0.220	3	123.2831	0.932	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	4:3:1:	3:	C-3:H-1:I-1:	C-4:C-3:I-1:	C-3:	C(CCI)(H)(I)	C(CN[6]HH)(CHI)(I)	I(CCH)	C(CCI)(H)(I)	C(CN[6]HH)(CHI)(I)	I(CCH)	123.3860	0.000	1	123.3860	0.000	1	123.6130	0.220	3	123.2831	0.932	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	4:3:1:	3:	C-3:H-1:I-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)(I)	C(C[6]C[6]O[6]H)(CHI)(H)	I(CCH)	C(CC[6]H)(H)(I)	C(C[6]C[6]O[6]H)(CHI)(H)	I(CCH)	123.3485	0.771	2	123.3485	0.595	2	123.3485	0.595	2	123.2831	0.932	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	4:4:3:	3:	C-3:H-1:I-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)(I)	C(CCHH)(CC3)(CHI)	I(CCH)	C(CCC)(H)(I)	C(CCHH)(CC3)(CHI)	I(CCH)	123.9700	0.000	1	123.9700	0.000	1	124.9972	0.439	6	124.9972	0.439	6	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	4:4:3:	3:	C-3:H-1:I-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)(I)	C(CCHH)(CH3)(CHI)	I(CCH)	C(CCC)(H)(I)	C(CCHH)(CH3)(CHI)	I(CCH)	125.0845	0.465	4	125.0845	0.216	4	124.9972	0.439	6	124.9972	0.439	6	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:1:1:	4:4:3:	3:	C-3:H-1:I-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)(I)	C(CC[5]HO)(CH3)(CHI)	I(CCH)	C(CCC)(H)(I)	C(CC[5]HO)(CH3)(CHI)	I(CCH)	125.6750	0.000	1	125.6750	0.000	1	124.9972	0.439	6	124.9972	0.439	6	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:2:1:	3:3:1:	3:	C-3:C-2:I-1:	C[6a]-3:C-3:I-1:	C-3:	C(CC[6a]I)(CC)(I)	C(C[6a]C[6a]2)(CCI)(I)	I(CCC)	C(CC[6a]I)(CC)(I)	C(C[6a]C[6a]2)(CCI)(I)	I(CCC)	121.8400	0.013	2	121.8400	0.000	2	121.8400	0.000	2	121.8400	0.000	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:2:1:	3:4:3:	3:	C-3:C-2:I-1:	C[6a]-3:S-4:C-3:	C-3:	C(CC[6a]S)(CC)(I)	C(C[6a]C[6a]2)(SC[6a]OO)(CCI)	I(CCC)	C(CC[6a]S)(CC)(I)	C(C[6a]C[6a]2)(SC[6a]OO)(CCI)	I(CCC)	117.9790	0.000	1	117.9790	0.000	1	117.9790	0.000	1	117.9790	0.000	1	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:2:1:	3:	C-3:C-3:I-1:	C-3:N-2:H-1:	C-3:	C(CCH)(CHN)(I)	C(CCI)(NN)(H)	I(CCC)	C(CCH)(CHN)(I)	C(CCI)(NN)(H)	I(CCC)	115.8230	0.000	1	115.8230	0.000	1	115.8230	0.000	1	116.1554	0.236	5	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:2:1:	3:	C-3:C-3:I-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]I)(COO)(I)	C(CCI)(OC)(O)	I(CCC)	C(CC[6a]I)(COO)(I)	C(CCI)(OC)(O)	I(CCC)	115.9130	0.000	1	115.9130	0.000	1	115.9130	0.000	1	116.1554	0.236	5	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:I-1:	C-3:C-2:I-1:	C-3:	C(C[6a]C[6a]2)(CCI)(I)	C(CC[6a]I)(CC)(I)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(I)	C(CC[6a]I)(CC)(I)	I(CC[6a]C)	116.4275	0.790	2	116.4275	0.624	2	116.4275	0.624	2	116.1554	0.236	5	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:I-1:	C-3:Se-2:H-1:	C-3:	C(C[6a]C[6a]2)(CSeH)(I)	C(CC[6a]I)(SeC[6a])(H)	I(CC[6a]C)	C(C[6a]C[6a]2)(CSeH)(I)	C(CC[6a]I)(SeC[6a])(H)	I(CC[6a]C)	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	116.1554	0.236	5	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:2:3:	3:	C-3:C-3:I-1:	C[6a]-3:S-2:C-3:	C-3:	C(CC[6a]S)(CCH)(I)	C(C[6a]C[6a]2)(SC[6a])(CCI)	I(CCC)	C(CC[6a]S)(CCH)(I)	C(C[6a]C[6a]2)(SC[6a])(CCI)	I(CCC)	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C-3:C-3:I-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(I)	C(CCH)(CCI)(H)	I(CCC)	C(CCH)(CCO)(I)	C(CCH)(CCI)(H)	I(CCC)	116.2150	0.000	1	116.2150	0.000	1	116.2050	1.295	3	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C-3:C-3:I-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(I)	C(CCH)(CCI)(H)	I(CCC)	C(CCH)2(I)	C(CCH)(CCI)(H)	I(CCC)	116.2000	1.609	2	116.2000	2.590	2	116.2050	1.295	3	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C-3:C-3:I-1:	C-3:C-3:I-1:	C-3:	C(CCC)(CCI)(I)	C(CCC)(CCI)(I)	I(CCC)	C(CCC)(CCI)(I)	C(CCC)(CCI)(I)	I(CCC)	112.7500	0.000	1	112.7500	0.000	1	112.8723	17.925	10	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C-3:C-3:I-1:	C-3:C-3:I-1:	C-3:	C(CCI)2(I)	C(CCI)2(I)	I(CCC)	C(CCI)2(I)	C(CCI)2(I)	I(CCC)	111.4160	0.906	8	111.4160	0.821	8	112.8723	17.925	10	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C-3:C-3:I-1:	C-3:C-3:I-1:	C-3:	C(CC[6a]O)(CCI)(I)	C(CC[6a]O)(CCI)(I)	I(CCC)	C(CC[6a]O)(CCI)(I)	C(CC[6a]O)(CCI)(I)	I(CCC)	124.6450	0.000	1	124.6450	0.000	1	112.8723	17.925	10	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C-3:C-3:I-1:	C-3:C-3:O-1:	C-3:	C(CCH)(CCO)(I)	C(CCI)(CCO)(O)	I(CCC)	C(CCH)(CCO)(I)	C(CCI)(CCO)(O)	I(CCC)	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C-3:C-3:I-1:	C-3:N-3:O-1:	C-3:	C(CCH)(CNO)(I)	C(CCI)(NCS)(O)	I(CCC)	C(CCH)(CNO)(I)	C(CCI)(NCS)(O)	I(CCC)	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C-3:C-3:I-1:	C[6a]-3:C-3:I-1:	C-3:	C(CC[6a]I)(COO)(I)	C(C[6a]C[6a]2)(CCI)(I)	I(CCC)	C(CC[6a]I)(COO)(I)	C(C[6a]C[6a]2)(CCI)(I)	I(CCC)	119.8190	0.000	1	119.8190	0.000	1	119.8190	0.000	1	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C-3:C-3:I-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CCI)(O)	I(CCC)	C(CC[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CCI)(O)	I(CCC)	111.6280	0.000	1	111.6280	0.000	1	112.0630	0.246	4	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C-3:C-3:I-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]N[5a])(CC[6a]O)(I)	C(C[6a]C[6a]2)(CCI)(O)	I(CCC)	C(CC[6a]N[5a])(CC[6a]O)(I)	C(C[6a]C[6a]2)(CCI)(O)	I(CCC)	112.4185	0.467	2	112.4185	0.218	2	112.0630	0.246	4	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C-3:C-3:I-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CCI)(I)	C(C[6a]C[6a]2)(CCI)(O)	I(CCC)	C(CC[6a]O)(CCI)(I)	C(C[6a]C[6a]2)(CCI)(O)	I(CCC)	111.7870	0.000	1	111.7870	0.000	1	112.0630	0.246	4	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:I-1:	C-3:C-3:I-1:	C-3:	C(C[6a]C[6a]2)(CCI)(I)	C(CC[6a]I)(COO)(I)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(I)	C(CC[6a]I)(COO)(I)	I(CC[6a]C)	121.5660	0.000	1	121.5660	0.000	1	121.5660	0.000	1	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:I-1:	C-3:N-3:F-1:	C-3:	C(C[6a]C[6a]2)(CFN)(I)	C(CC[6a]I)(NCS)(F)	I(CC[6a]C)	C(C[6a]C[6a]2)(CFN)(I)	C(CC[6a]I)(NCS)(F)	I(CC[6a]C)	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C-3:I-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]I)(I)	C(C[6a]C[6a]2)(CC[6a]I)(I)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]I)(I)	C(C[6a]C[6a]2)(CC[6a]I)(I)	I(CC[6a]C)	118.4296	0.763	5	118.4296	0.582	5	118.4296	0.582	5	114.9479	15.383	27	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:2:	3:	C-3:C-3:I-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]2)(CC[6a]N)(I)	C(C[6a]C[6a]2)(CCI)(NS)	I(CCC)	C(CC[6a]2)(CC[6a]N)(I)	C(C[6a]C[6a]2)(CCI)(NS)	I(CCC)	111.1300	0.000	1	111.1300	0.000	1	111.1300	0.000	1	118.2247	9.287	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:2:	3:	C[6]-3:C-3:I-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[6]C[6]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CC[6]I)(OC)	I(CC[6]C)	C(C[6]C[6]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CC[6]I)(OC)	I(CC[6]C)	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	118.2247	9.287	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CC[6a]I)(OC)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CC[6a]I)(OC)	I(CC[6a]C)	119.5892	1.454	6	119.5892	2.115	6	119.5892	2.115	6	118.2247	9.287	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:I-1:	N[5]-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CN[5]O)(I)	C(N[5]C[5]2)(CC[6a]I)(OC)	I(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]O)(I)	C(N[5]C[5]2)(CC[6a]I)(OC)	I(CC[6a]C)	118.5790	0.000	1	118.5790	0.000	1	118.5790	0.000	1	118.2247	9.287	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:3:	3:	C-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC[6a]N)(I)	C(C[6a]C[6a]2)2(CCI)	I(CCC)	C(CC[6a]2)(CC[6a]N)(I)	C(C[6a]C[6a]2)2(CCI)	I(CCC)	123.2770	0.000	1	123.2770	0.000	1	122.7625	0.529	2	121.6046	4.339	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:3:	3:	C-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)2(CCI)	I(CCC)	C(CC[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)2(CCI)	I(CCC)	122.2480	0.000	1	122.2480	0.000	1	122.7625	0.529	2	121.6046	4.339	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:3:	3:	C-3:C-3:I-1:	N[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5a])(CC[6a]O)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCI)	I(CCC)	C(CC[6a]N[5a])(CC[6a]O)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCI)	I(CCC)	122.4070	0.942	2	122.4070	0.887	2	122.4070	0.887	2	121.6046	4.339	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:I-1:	C[6a]-3:N[5a]-3:C-3:	C-3:	C(CC[6a]N[5a])(C[6a]C[6a]2)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[6a]I)	I(CC[6a]C)	C(CC[6a]N[5a])(C[6a]C[6a]2)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[6a]I)	I(CC[6a]C)	118.7345	0.196	2	118.7345	0.038	2	118.7345	0.038	2	121.6046	4.339	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:3:	3:	C[5]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(CC[6a]2)(I)	C(C[6a]C[6a]2)2(CC[5]I)	I(CC[5]C)	C(C[5]C[5,6a]N[5])(CC[6a]2)(I)	C(C[6a]C[6a]2)2(CC[5]I)	I(CC[5]C)	124.8750	0.000	1	124.8750	0.000	1	124.8750	0.000	1	121.6046	4.339	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(I)	C(C[6a]C[6a]2)2(CC[6a]I)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(I)	C(C[6a]C[6a]2)2(CC[6a]I)	I(CC[6a]C)	120.1490	0.000	1	120.1490	0.000	1	120.1490	0.000	1	121.6046	4.339	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:I-1:	N[5]-3:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CN[5]N)(I)	C(N[5]C[5]2)(CC[6a]I)(NCS)	I(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]N)(I)	C(N[5]C[5]2)(CC[6a]I)(NCS)	I(CC[6a]C)	121.6090	0.000	1	121.6090	0.000	1	121.6090	0.000	1	121.6046	4.339	9	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:I-1:	C-3:C-4:I-1:	C-3:	C(C[6a]C[6a]2)(CCI)(I)	C(CC[6a]I)(CCHO)(I)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(I)	C(CC[6a]I)(CCHO)(I)	I(CC[6a]C)	120.3780	0.000	1	120.3780	0.000	1	121.0512	1.147	4	121.0512	1.147	4	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:I-1:	C-3:C-4:I-1:	C-3:	C(C[6a]C[6a]2)(CCI)(I)	C(CC[6a]I)(CHOO)(I)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(I)	C(CC[6a]I)(CHOO)(I)	I(CC[6a]C)	121.4150	1.649	2	121.4150	2.719	2	121.0512	1.147	4	121.0512	1.147	4	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:I-1:	C-3:C-4:I-1:	C-3:	C(C[6a]C[6a]O[6a])(CCI)(I)	C(CC[6a]I)(CHHO)(I)	I(CC[6a]C)	C(C[6a]C[6a]O[6a])(CCI)(I)	C(CC[6a]I)(CHHO)(I)	I(CC[6a]C)	120.9970	0.000	1	120.9970	0.000	1	121.0512	1.147	4	121.0512	1.147	4	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:I-1:	C-3:C-4:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(I)	C(CC[6a]I)(CH3)(CN)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(I)	C(CC[6a]I)(CH3)(CN)	I(CC[6a]C)	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	119.8290	0.000	1	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:I-1:	C[5a]-3:C[3]-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C[3])(I)	C(C[5a]C[5a]N[5a])(C[3]C[3]2H)(CC[6a]I)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C[3])(I)	C(C[5a]C[5a]N[5a])(C[3]C[3]2H)(CC[6a]I)	I(CC[6a]C)	117.5540	0.000	1	117.5540	0.000	1	117.5540	0.000	1	117.2386	0.156	5	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:S-4:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	I(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	I(CC[6a]C)	116.9740	0.099	2	116.9740	0.010	2	117.1598	0.167	4	117.2386	0.156	5	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:I-1:	C[6a]-3:S-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]S)(I)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(I)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	I(CC[6a]C)	117.3455	0.595	2	117.3455	0.354	2	117.1598	0.167	4	117.2386	0.156	5	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	3:4:4:	3:	N[5]-3:C-3:I-1:	C-3:C-4:C-4:	C-3:	C(N[5]C[5]2)(CCC)(I)	C(CN[5]I)(CCHH)2	I(CN[5]C)	C(N[5]C[5]2)(CCC)(I)	C(CN[5]I)(CCHH)2	I(CN[5]C)	122.4655	0.507	2	122.4655	0.257	2	122.4655	0.257	2	122.4655	0.257	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:1:	3:	C-3:C-3:I-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CCN)(I)	C(CCHH)(CCI)(H)	I(CCC)	C(CCH)(CCN)(I)	C(CCHH)(CCI)(H)	I(CCC)	118.8210	0.000	1	118.8210	0.000	1	120.5065	20.156	4	120.5029	9.227	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:1:	3:	C-3:C-3:I-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CHN)(I)	C(CCHH)(CCI)(H)	I(CCC)	C(CCH)(CHN)(I)	C(CCHH)(CCI)(H)	I(CCC)	122.6030	0.000	1	122.6030	0.000	1	120.5065	20.156	4	120.5029	9.227	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:1:	3:	C-3:C-3:I-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CNO)(I)	C(CCHH)(CCI)(H)	I(CCC)	C(CCH)(CNO)(I)	C(CCHH)(CCI)(H)	I(CCC)	125.4560	0.000	1	125.4560	0.000	1	120.5065	20.156	4	120.5029	9.227	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:1:	3:	C-3:C-3:I-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]S)(CCH)(I)	C(CHHI)(CCI)(H)	I(CCC)	C(CC[6a]S)(CCH)(I)	C(CHHI)(CCI)(H)	I(CCC)	115.1460	0.000	1	115.1460	0.000	1	120.5065	20.156	4	120.5029	9.227	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:1:	3:	C-3:C-3:I-1:	C-4:C-3:I-1:	C-3:	C(CCI)2(I)	C(CN[5]HH)(CCI)(I)	I(CCC)	C(CCI)2(I)	C(CN[5]HH)(CCI)(I)	I(CCC)	121.8063	1.246	8	121.8063	1.553	8	121.8063	1.553	8	120.5029	9.227	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:I-1:	C-4:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(I)	C(CC[6a]HH)(CC[5a]I)(H)	I(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(I)	C(CC[6a]HH)(CC[5a]I)(H)	I(CC[5a]C)	120.5530	0.000	1	120.5530	0.000	1	120.5530	0.000	1	120.5029	9.227	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:I-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(I)	C(CC[6a]N[6]H)(CC[6a]I)(H)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(I)	C(CC[6a]N[6]H)(CC[6a]I)(H)	I(CC[6a]C)	116.7100	0.000	1	116.7100	0.000	1	116.7100	0.000	1	120.5029	9.227	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:I-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(I)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(I)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	I(CC[6a]C)	117.9170	0.000	1	117.9170	0.000	1	117.9170	0.000	1	120.5029	9.227	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:I-1:	S-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHS)(I)	C(SC[6a]OO)(CC[6a]I)(H)	I(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(I)	C(SC[6a]OO)(CC[6a]I)(H)	I(CC[6a]C)	118.4470	5.760	2	118.4470	33.179	2	118.4470	33.179	2	120.5029	9.227	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:2:	3:	C-3:C-3:I-1:	C-4:C-3:N-2:	C-3:	C(CCH)(CCN)(I)	C(CCHH)(CCI)(NN)	I(CCC)	C(CCH)(CCN)(I)	C(CCHH)(CCI)(NN)	I(CCC)	115.9670	0.000	1	115.9670	0.000	1	115.9670	0.000	1	116.5705	0.505	13	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:2:	3:	C-3:C-3:I-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(I)	C(CH3)(CCI)(ORu)	I(CCC)	C(CCO)2(I)	C(CH3)(CCI)(ORu)	I(CCC)	116.6208	0.718	12	116.6208	0.515	12	116.6208	0.515	12	116.5705	0.505	13	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:I-1:	C[6]-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(I)	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	I(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(I)	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	I(CC[6a]C)	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	120.4655	2.279	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:I-1:	S-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(I)	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(I)	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	I(CC[6a]C)	119.3980	0.000	1	119.3980	0.000	1	119.3980	0.000	1	120.4655	2.279	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:I-1:	C-4:C-3:S-4:	C-3:	C(C[6a]C[6a]2)(CCS)(I)	C(CC[6a]HO)(CC[6a]I)(SCOO)	I(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(I)	C(CC[6a]HO)(CC[6a]I)(SCOO)	I(CC[6a]C)	119.6270	0.000	1	119.6270	0.000	1	119.6270	0.000	1	119.6270	0.000	1	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:3:1:	4:4:3:	3:	C-3:C-3:I-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CCI)(I)	C(CH3)2(CCI)	I(CCC)	C(CCC)(CCI)(I)	C(CH3)2(CCI)	I(CCC)	121.2660	0.000	1	121.2660	0.000	1	121.2660	0.000	1	121.2660	0.000	1	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:3:1:	3:	C-3:C-4:I-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CRuCC)(I)	C(C[6a]C[6a]2)(CCI)(H)	I(CCC)	C(CC[6a]H)(CRuCC)(I)	C(C[6a]C[6a]2)(CCI)(H)	I(CCC)	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	119.7376	6.084	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:3:1:	3:	C-3:C-4:I-1:	C[6a]-3:C-3:I-1:	C-3:	C(CC[6a]I)(CCHO)(I)	C(C[6a]C[6a]2)(CCI)(I)	I(CCC)	C(CC[6a]I)(CCHO)(I)	C(C[6a]C[6a]2)(CCI)(I)	I(CCC)	118.1360	0.000	1	118.1360	0.000	1	120.2740	11.053	4	119.7376	6.084	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:3:1:	3:	C-3:C-4:I-1:	C[6a]-3:C-3:I-1:	C-3:	C(CC[6a]I)(CHHO)(I)	C(C[6a]C[6a]O[6a])(CCI)(I)	I(CCC)	C(CC[6a]I)(CHHO)(I)	C(C[6a]C[6a]O[6a])(CCI)(I)	I(CCC)	118.3940	0.000	1	118.3940	0.000	1	120.2740	11.053	4	119.7376	6.084	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:3:1:	3:	C-3:C-4:I-1:	C[6a]-3:C-3:I-1:	C-3:	C(CC[6a]I)(CHOO)(I)	C(C[6a]C[6a]2)(CCI)(I)	I(CCC)	C(CC[6a]I)(CHOO)(I)	C(C[6a]C[6a]2)(CCI)(I)	I(CCC)	122.2830	4.121	2	122.2830	16.983	2	120.2740	11.053	4	119.7376	6.084	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:3:1:	3:	C-3:Si-4:I-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]Cl)(SiC3)(I)	C(C[6a]C[6a]2)(CSiI)(Cl)	I(CSiC)	C(CC[6a]Cl)(SiC3)(I)	C(C[6a]C[6a]2)(CSiI)(Cl)	I(CSiC)	118.7910	0.580	2	118.7910	0.336	2	118.7910	0.336	2	119.7376	6.084	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:3:2:	3:	C-3:C-4:I-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(CH3)(I)	C(C[6a]C[6a]2)(CCI)(CN)	I(CCC)	C(CC[6a]C)(CH3)(I)	C(C[6a]C[6a]2)(CCI)(CN)	I(CCC)	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	119.8400	2.464	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:3:2:	3:	C-3:C-4:I-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCHH)(I)	C(C[6a]C[6a]2)(CCI)(OC)	I(CCC)	C(CC[6a]O)(CCHH)(I)	C(C[6a]C[6a]2)(CCI)(OC)	I(CCC)	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	119.8400	2.464	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:3:3:	3:	C-3:C[3]-4:I-1:	C[6a]-3:N[5a]-3:C-3:	C-3:	C(CC[6a]N[5a])(C[3]C[3]2H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[3]I)	I(CC[3]C)	C(CC[6a]N[5a])(C[3]C[3]2H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[3]I)	I(CC[3]C)	118.0240	0.000	1	118.0240	0.000	1	118.0240	0.000	1	118.4570	0.375	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:3:3:	3:	C-3:Si-4:I-1:	C[6a]-3:N[5a]-3:C-3:	C-3:	C(CC[6a]N[5a])(SiC3)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSiI)	I(CSiC)	C(CC[6a]N[5a])(SiC3)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSiI)	I(CSiC)	118.8900	0.000	1	118.8900	0.000	1	118.8900	0.000	1	118.4570	0.375	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:4:3:	3:	C-3:C-4:I-1:	C[6a]-3:P-4:C-3:	C-3:	C(CC[6a]P)(CFHH)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	I(CCC)	C(CC[6a]P)(CFHH)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	I(CCC)	120.2058	0.664	5	120.2058	0.440	5	120.0933	1.521	11	120.1213	1.392	12	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:4:3:	3:	C-3:C-4:I-1:	C[6a]-3:P-4:C-3:	C-3:	C(CC[6a]P)(CHHI)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	I(CCC)	C(CC[6a]P)(CHHI)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	I(CCC)	118.3390	1.143	2	118.3390	1.306	2	120.0933	1.521	11	120.1213	1.392	12	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:4:3:	3:	C-3:C-4:I-1:	C[6a]-3:P-4:C-3:	C-3:	C(CC[6a]P)(CHHN)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	I(CCC)	C(CC[6a]P)(CHHN)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	I(CCC)	120.8298	1.119	4	120.8298	1.252	4	120.0933	1.521	11	120.1213	1.392	12	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	3:4:1:	3:4:3:	3:	C-3:C-4:I-1:	C[6a]-3:P[6]-4:C-3:	C-3:	C(CC[6a]P[6])(CFHH)(I)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCI)	I(CCC)	C(CC[6a]P[6])(CFHH)(I)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCI)	I(CCC)	120.4300	0.000	1	120.4300	0.000	1	120.4300	0.000	1	120.1213	1.392	12	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	2:3:1:	3:	C-4:C-3:I-1:	Se-2:C-3:H-1:	C-3:	C(CHHN)(CSeH)(I)	C(SeC[6a])(CCI)(H)	I(CCC)	C(CHHN)(CSeH)(I)	C(SeC[6a])(CCI)(H)	I(CCC)	121.5040	0.000	2	121.5040	0.000	2	121.5040	0.000	2	121.5040	0.000	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	2:3:2:	3:	C-4:C-3:I-1:	O-2:C-3:C-2:	C-3:	C(CH3)(CCO)(I)	C(OC[6a])(CCI)(CC)	I(CCC)	C(CH3)(CCO)(I)	C(OC[6a])(CCI)(CC)	I(CCC)	119.2320	0.000	1	119.2320	0.000	1	119.2320	0.000	1	119.2320	0.000	1	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	2:4:3:	3:	C-4:C-3:I-1:	O-2:C-4:C-3:	C-3:	C(CH3)(CCO)(I)	C(OC[6a])(CC3)(CCI)	I(CCC)	C(CH3)(CCO)(I)	C(OC[6a])(CC3)(CCI)	I(CCC)	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:1:1:	3:	C-4:C-3:I-1:	C-3:H-1:H-1:	C-3:	C(CCCH)(CHH)(I)	C(CCI)(H)2	I(CCC)	C(CCCH)(CHH)(I)	C(CCI)(H)2	I(CCC)	117.4385	0.050	4	117.4385	0.003	4	118.7644	1.658	10	118.4278	1.752	13	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:1:1:	3:	C-4:C-3:I-1:	C-3:H-1:H-1:	C-3:	C(CCHH)(CHH)(I)	C(CCI)(H)2	I(CCC)	C(CCHH)(CHH)(I)	C(CCI)(H)2	I(CCC)	119.4625	1.339	2	119.4625	1.792	2	118.7644	1.658	10	118.4278	1.752	13	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:1:1:	3:	C-4:C-3:I-1:	C-3:H-1:H-1:	C-3:	C(CN[5a]HN)(CHH)(I)	C(CCI)(H)2	I(CCC)	C(CN[5a]HN)(CHH)(I)	C(CCI)(H)2	I(CCC)	119.7793	0.800	3	119.7793	0.640	3	118.7644	1.658	10	118.4278	1.752	13	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:1:1:	3:	C-4:C-3:I-1:	C-3:H-1:H-1:	C-3:	C(CN[6,6]CH)(CHH)(I)	C(CCI)(H)2	I(CCC)	C(CN[6,6]CH)(CHH)(I)	C(CCI)(H)2	I(CCC)	119.6270	0.000	1	119.6270	0.000	1	118.7644	1.658	10	118.4278	1.752	13	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:1:1:	3:	C-4:C-3:I-1:	C-3:H-1:I-1:	C-3:	C(CHHO)(CHI)(I)	C(CCI)(H)(I)	I(CCC)	C(CHHO)(CHI)(I)	C(CCI)(H)(I)	I(CCC)	116.8675	0.193	2	116.8675	0.037	2	117.3060	0.595	3	118.4278	1.752	13	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:1:1:	3:	C-4:C-3:I-1:	C-3:H-1:I-1:	C-3:	C(CN[6]HH)(CHI)(I)	C(CCI)(H)(I)	I(CCC)	C(CN[6]HH)(CHI)(I)	C(CCI)(H)(I)	I(CCC)	118.1830	0.000	1	118.1830	0.000	1	117.3060	0.595	3	118.4278	1.752	13	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:2:1:	3:	C[5]-4:C-3:I-1:	C-3:C-2:H-1:	C-3:	C(C[5]C[5]2Fe)(CCH)(I)	C(CC[5]I)(CN)(H)	I(CC[5]C)	C(C[5]C[5]2Fe)(CCH)(I)	C(CC[5]I)(CN)(H)	I(CC[5]C)	117.0545	3.642	2	117.0545	13.266	2	117.0545	13.266	2	117.0545	13.266	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:3:1:	3:	B[5,5]-4:C-3:I-1:	C[6a]-3:C-3:F-1:	C-3:	C(B[5,5]N[5,5]O[5]2)(CC[6a]F)(I)	C(C[6a]C[6a]2)(CB[5,5]I)(F)	I(CB[5,5]C)	C(B[5,5]N[5,5]O[5]2)(CC[6a]F)(I)	C(C[6a]C[6a]2)(CB[5,5]I)(F)	I(CB[5,5]C)	118.2290	2.355	2	118.2290	5.544	2	118.2290	5.544	2	118.7801	5.811	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:3:1:	3:	C-4:C-3:I-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(I)	C(CCI)(COO)(H)	I(CCC)	C(CH3)(CCH)(I)	C(CCI)(COO)(H)	I(CCC)	124.6850	0.000	1	124.6850	0.000	1	124.6850	0.000	1	118.7801	5.811	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:3:1:	3:	C-4:C-3:I-1:	C-3:C-3:I-1:	C-3:	C(CN[5]HH)(CCI)(I)	C(CCI)2(I)	I(CCC)	C(CN[5]HH)(CCI)(I)	C(CCI)2(I)	I(CCC)	118.3810	0.507	8	118.3810	0.257	8	118.3810	0.257	8	118.7801	5.811	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:3:1:	3:	C-4:C-3:I-1:	N-3:C-3:H-1:	C-3:	C(CC[5a]HH)(CHN)(I)	C(NC[6a]S)(CCI)(H)	I(CCC)	C(CC[5a]HH)(CHN)(I)	C(NC[6a]S)(CCI)(H)	I(CCC)	121.2440	0.000	1	121.2440	0.000	1	121.2440	0.000	1	118.7801	5.811	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:3:1:	3:	C-4:C-3:I-1:	S-3:C-3:H-1:	C-3:	C(CHHO)(CHS)(I)	C(SC[6a]O)(CCI)(H)	I(CCC)	C(CHHO)(CHS)(I)	C(SC[6a]O)(CCI)(H)	I(CCC)	118.3915	0.033	2	118.3915	0.001	2	118.3915	0.001	2	118.7801	5.811	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:I-1:	C-3:S-3:H-1:	C-3:	C(C[5,6]C[5,5,6]C[5,6]O)(CHS)(I)	C(CC[5,6]I)(SC[6a]O)(H)	I(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6]O)(CHS)(I)	C(CC[5,6]I)(SC[6a]O)(H)	I(CC[5,6]C)	112.6100	0.000	1	112.6100	0.000	1	112.6100	0.000	1	118.7801	5.811	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:3:1:	3:	Si-4:C-3:I-1:	C-3:C-3:H-1:	C-3:	C(SiC3)(CCH)(I)	C(CSiI)(CCH)(H)	I(CSiC)	C(SiC3)(CCH)(I)	C(CSiI)(CCH)(H)	I(CSiC)	120.2165	0.558	2	120.2165	0.311	2	120.2165	0.311	2	118.7801	5.811	17	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:4:3:	3:	C-4:C-3:I-1:	C[6a]-3:P-4:C-3:	C-3:	C(CC[5]HO)(CC[6a]P)(I)	C(C[6a]C[6a]2)(PO3)(CCI)	I(CCC)	C(CC[5]HO)(CC[6a]P)(I)	C(C[6a]C[6a]2)(PO3)(CCI)	I(CCC)	119.3840	0.000	1	119.3840	0.000	1	119.0610	0.209	2	119.0610	0.209	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	3:4:3:	3:	C-4:C-3:I-1:	C[6a]-3:P-4:C-3:	C-3:	C(CN[5a]HH)(CC[6a]P)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	I(CCC)	C(CN[5a]HH)(CC[6a]P)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	I(CCC)	118.7380	0.000	1	118.7380	0.000	1	119.0610	0.209	2	119.0610	0.209	2	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	4:2:3:	3:	C-4:C-3:I-1:	C-4:O-2:C-3:	C-3:	C(CH3)(CCO)(I)	C(CC[6a]CC)(OC[6a])(CCI)	I(CCC)	C(CH3)(CCO)(I)	C(CC[6a]CC)(OC[6a])(CCI)	I(CCC)	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	4:3:1:	3:	C-4:C-3:I-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(I)	C(CC[6]HN)(CCI)(H)	I(CCC)	C(CH3)(CCH)(I)	C(CC[6]HN)(CCI)(H)	I(CCC)	117.9065	1.876	2	117.9065	3.519	2	118.3647	2.389	3	119.8391	8.069	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	4:3:1:	3:	C-4:C-3:I-1:	C-4:C-3:H-1:	C-3:	C(CN[5]HH)(CCH)(I)	C(CHHO)(CCI)(H)	I(CCC)	C(CN[5]HH)(CCH)(I)	C(CHHO)(CCI)(H)	I(CCC)	119.2810	0.000	1	119.2810	0.000	1	118.3647	2.389	3	119.8391	8.069	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	4:3:1:	3:	C-4:C-3:I-1:	C-4:C-3:I-1:	C-3:	C(CC[6a]2H)(CCI)(I)	C(CHHO)(CCI)(I)	I(CCC)	C(CC[6a]2H)(CCI)(I)	C(CHHO)(CCI)(I)	I(CCC)	122.0270	0.000	1	122.0270	0.000	1	122.2867	5.311	3	119.8391	8.069	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	4:3:1:	3:	C-4:C-3:I-1:	C-4:C-3:I-1:	C-3:	C(CHHO)(CCI)(I)	C(CC[6a]2H)(CCI)(I)	I(CCC)	C(CHHO)(CCI)(I)	C(CC[6a]2H)(CCI)(I)	I(CCC)	124.7100	0.000	1	124.7100	0.000	1	122.2867	5.311	3	119.8391	8.069	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	4:3:1:	3:	C-4:C-3:I-1:	C-4:C-3:I-1:	C-3:	C(CHHO)(CCI)(I)	C(CHHO)(CCI)(I)	I(CCC)	C(CHHO)(CCI)(I)	C(CHHO)(CCI)(I)	I(CCC)	120.1230	0.000	1	120.1230	0.000	1	122.2867	5.311	3	119.8391	8.069	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	4:3:1:	3:	C-4:C-3:I-1:	P-4:C-3:H-1:	C-3:	C(CCHO)(CHP)(I)	C(PC[6a]2O)(CCI)(H)	I(CCC)	C(CCHO)(CHP)(I)	C(PC[6a]2O)(CCI)(H)	I(CCC)	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1	119.8391	8.069	7	120.2348	13.298	256	120.2348	13.298	256
930	930	944	0:SP2_SP-NON_SP2	C	C	I	4:3:1:	4:4:3:	3:	C-4:C-3:I-1:	P-4:C-4:C-3:	C-3:	C(CHHO)(CCP)(I)	C(PC[6a]2O)(CCHH)(CCI)	I(CCC)	C(CHHO)(CCP)(I)	C(PC[6a]2O)(CCHH)(CCI)	I(CCC)	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	120.2348	13.298	256	120.2348	13.298	256
930	930	945	0:SP2_SP2_SP3	C	C	P	3:2:3:	4:3:1:	3:3:3:	P-3:O-2:C-3:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(OB[5])(CCH)	C(CC[6a]HP)(COP)(H)	P(C[6a]C[6a]2)2(CCO)	C(PC[6a]2)(OB[5])(CCH)	C(CC[6a]HP)(COP)(H)	P(C[6a]C[6a]2)2(CCO)	119.9415	1.351	2	119.9415	1.826	2	119.9415	1.826	2	119.9415	1.826	2	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:1:	3:1:1:	3:3:3:	P-3:C-3:F-1:	C-3:F-1:F-1:	C[6a]-3:C-3:C-3:	C(PC[6a]C)(CFF)(F)	C(CFP)(F)2	P(C[6a]C[6a]2)(CCF)2	C(PC[6a]C)(CFF)(F)	C(CFP)(F)2	P(C[6a]C[6a]2)(CCF)2	123.8190	0.314	4	123.8190	0.099	4	123.8190	0.099	4	122.7530	8.689	7	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:1:	3:1:1:	3:3:3:	P-3:C-3:H-1:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C(PC[6a]C)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)(CCH)2	C(PC[6a]C)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)(CCH)2	122.9210	5.107	2	122.9210	26.079	2	122.9210	26.079	2	122.7530	8.689	7	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:1:	3:1:1:	3:3:3:	P-3:C-3:H-1:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)2(CCH)	C(PC[6a]2)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)2(CCH)	118.1530	0.000	1	118.1530	0.000	1	118.1530	0.000	1	122.7530	8.689	7	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:1:	3:2:3:	4:4:3:	C-3:P-3:H-1:	C[6a]-3:S-2:C-3:	C[6]-4:C[6]-4:C-3:	C(CC[6a]S)(PC[6]2)(H)	C(C[6a]C[6a]2)(SC[6a])(CHP)	P(C[6]C[6]2H)2(CCH)	C(CC[6a]S)(PC[6]2)(H)	C(C[6a]C[6a]2)(SC[6a])(CHP)	P(C[6]C[6]2H)2(CCH)	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:1:	3:3:1:	3:3:3:	C-3:P-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]H)(PC[6a]C)(H)	C(C[6a]C[6a]2)(CHP)(H)	P(C[6a]C[6a]2)(CCH)2	C(CC[6a]H)(PC[6a]C)(H)	C(C[6a]C[6a]2)(CHP)(H)	P(C[6a]C[6a]2)(CCH)2	126.9200	1.663	2	126.9200	2.766	2	126.9200	2.766	2	123.8686	38.105	10	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:1:	3:3:1:	3:3:3:	C-3:P-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]H)(PC[6a]2)(H)	C(C[6a]C[6a]2)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	C(CC[6a]H)(PC[6a]2)(H)	C(C[6a]C[6a]2)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	129.5007	1.449	3	129.5007	2.099	3	129.5007	2.099	3	123.8686	38.105	10	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:1:	3:3:1:	3:3:3:	C-3:P-3:H-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]O)(PC[6a]2)(H)	C(C[6a]C[6a]2)(CHP)(O)	P(C[6a]C[6a]2)2(CCH)	C(CC[6a]O)(PC[6a]2)(H)	C(C[6a]C[6a]2)(CHP)(O)	P(C[6a]C[6a]2)2(CCH)	115.3480	0.650	3	115.3480	0.423	3	115.3480	0.423	3	123.8686	38.105	10	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:1:	3:3:1:	3:3:3:	P-3:C-3:H-1:	B-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(CBH)(H)	C(BC[6a]2)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	C(PC[6a]2)(CBH)(H)	C(BC[6a]2)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	124.7830	0.000	1	124.7830	0.000	1	124.7830	0.000	1	123.8686	38.105	10	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:1:	3:3:1:	3:3:3:	P-3:C-3:H-1:	C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	C(PC[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	125.5170	0.000	1	125.5170	0.000	1	125.5170	0.000	1	123.8686	38.105	10	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:1:	4:3:1:	3:3:3:	P-3:C-3:H-1:	C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	C(PC[6a]2)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	126.8010	0.000	1	126.8010	0.000	1	126.8010	0.000	1	127.0145	0.091	2	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:1:	4:3:1:	3:3:3:	P-3:C-3:H-1:	P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(CHP)(H)	C(PC[6a]2Ru)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	C(PC[6a]2)(CHP)(H)	C(PC[6a]2Ru)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)	127.2280	0.000	1	127.2280	0.000	1	127.2280	0.000	1	127.0145	0.091	2	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:2:	3:3:3:	4:3:3:	C-3:P-3:S-2:	C[6a]-3:C-3:C-3:	C-4:C-3:C-3:	C(CC[6a]C)(PCC)(SAl)	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	P(CSi2H)(CAlC)(CCS)	C(CC[6a]C)(PCC)(SAl)	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	P(CSi2H)(CAlC)(CCS)	124.5510	0.000	1	124.5510	0.000	1	124.5510	0.000	1	124.5510	0.000	1	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:3:	2:4:3:	3:3:3:	P-3:C-3:C-3:	N-2:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(CCN)2	C(NC[6a])(CH3)(CCP)	P(C[6a]C[6a]2)2(CCC)	C(PC[6a]2)(CCN)2	C(NC[6a])(CH3)(CCP)	P(C[6a]C[6a]2)2(CCC)	122.9150	0.000	1	122.9150	0.000	1	122.9150	0.000	1	122.9150	0.000	1	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:3:	3:2:1:	3:3:3:	C[6]-3:P-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]2)(PC[6a]2)(COO)	C(CC[6]P)(OC)(O)	P(C[6a]C[6a]2)2(CC[6]C)	C(C[6]C[6]2)(PC[6a]2)(COO)	C(CC[6]P)(OC)(O)	P(C[6a]C[6a]2)2(CC[6]C)	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:P-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2)(CCH)	C(CC[6a]P)(CCH)(H)	P(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]2)(CCH)	C(CC[6a]P)(CCH)(H)	P(C[6a]C[6a]2)2(CC[6a]C)	122.1360	0.577	4	122.1360	0.333	4	122.1360	0.333	4	121.9346	0.453	5	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:3:	3:3:1:	3:3:3:	P-3:C-3:N-3:	N-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(CClN)(NFeO)	C(NFeO)(CNP)(Cl)	P(C[6a]C[6a]2)2(CCN)	C(PC[6a]2)(CClN)(NFeO)	C(NFeO)(CNP)(Cl)	P(C[6a]C[6a]2)2(CCN)	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	121.9346	0.453	5	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C-3:P-3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(PC[6a]2)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(PC[6a]2)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	P(C[6a]C[6a]2)2(CC[6a]C)	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	117.1462	12.561	4	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:3:	3:4:3:	3:3:3:	P-3:C-3:C-3:	N-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(CCN)2	C(NC[6a]Al)(CH3)(CCP)	P(C[6a]C[6a]2)2(CCC)	C(PC[6a]2)(CCN)2	C(NC[6a]Al)(CH3)(CCP)	P(C[6a]C[6a]2)2(CCC)	118.0710	5.712	2	118.0710	32.627	2	117.1530	18.842	3	117.1462	12.561	4	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:3:	3:4:3:	3:3:3:	P-3:C-3:C-3:	N-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(CCN)2	C(NC[6a]H)(CH3)(CCP)	P(C[6a]C[6a]2)2(CCC)	C(PC[6a]2)(CCN)2	C(NC[6a]H)(CH3)(CCP)	P(C[6a]C[6a]2)2(CCC)	115.3170	0.000	1	115.3170	0.000	1	117.1530	18.842	3	117.1462	12.561	4	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:3:	4:2:3:	3:3:3:	N-3:P-3:C-3:	P-4:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]Mo)(PC[6a]2)(CNP)	C(PC[6a]2Mo)(NC[6a])(CNP)	P(C[6a]C[6a]2)2(CCN)	C(NC[6a]Mo)(PC[6a]2)(CNP)	C(PC[6a]2Mo)(NC[6a])(CNP)	P(C[6a]C[6a]2)2(CCN)	125.3990	0.000	1	125.3990	0.000	1	125.3990	0.000	1	125.3990	0.000	1	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:3:	4:3:1:	3:3:3:	C[6a]-3:P-3:C-3:	Si-4:C-3:H-1:	C[5,6]-3:C-3:N-3:	C(C[6a]C[6a]2)(PC[5,6]N)(CSiH)	C(SiC[6a]NN)(CC[6a]P)(H)	P(C[5,6]C[5,5,6]C[5,6])(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(PC[5,6]N)(CSiH)	C(SiC[6a]NN)(CC[6a]P)(H)	P(C[5,6]C[5,5,6]C[5,6])(CC[6a]C)(NCC)	127.2660	0.000	1	127.2660	0.000	1	127.2660	0.000	1	127.2660	0.000	1	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:3:	4:3:4:	3:3:3:	C[6a]-3:P-3:C-3:	B-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2)(CBC)	C(BC[6a]2C)(CC[6a]P)(CH3)	P(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]2)(CBC)	C(BC[6a]2C)(CC[6a]P)(CH3)	P(C[6a]C[6a]2)2(CC[6a]C)	118.1650	0.000	1	118.1650	0.000	1	118.1650	0.000	1	118.1650	0.000	1	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:3:4:	3:3:1:	4:4:3:	C-3:P-3:C-4:	C[6a]-3:C-3:H-1:	C[6]-4:P-4:C-3:	C(CC[6a]H)(PC[6]P)(CC3)	C(C[6a]C[6a]2)(CCP)(H)	P(C[6]C[6]2H)(PC[6]CO)(CCC)	C(CC[6a]H)(PC[6]P)(CC3)	C(C[6a]C[6a]2)(CCP)(H)	P(C[6]C[6]2H)(PC[6]CO)(CCC)	116.8660	0.668	3	116.8660	0.446	3	116.8660	0.446	3	116.8660	0.446	3	121.9294	22.068	41	121.9294	22.068	41
930	930	945	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:1:1:	3:3:3:	P-3:C-4:C-3:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(CH3)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)2(CCC)	C(PC[6a]2)(CH3)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)2(CCC)	122.7310	0.000	1	122.7310	0.000	1	122.7310	0.000	1	122.7310	0.000	1	121.9294	22.068	41	121.9294	22.068	41
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	2:3:1:	3:	N-2:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(NC[6])(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	C(NC[6])(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	116.1500	0.000	1	116.1500	0.000	1	117.5772	18.735	12	118.5044	21.737	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	2:3:1:	3:	N-2:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(NC[6a])(CHN)(H)	C(NC[6])(CHN)(H)	H(CCN)	C(NC[6a])(CHN)(H)	C(NC[6])(CHN)(H)	H(CCN)	117.5950	0.000	1	117.5950	0.000	1	117.5772	18.735	12	118.5044	21.737	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	2:3:1:	3:	N-2:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(NC[6a])(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	C(NC[6a])(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	118.7133	1.818	7	118.7133	3.304	7	117.5772	18.735	12	118.5044	21.737	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	2:3:1:	3:	N-2:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(NN[5])(CHN)(H)	C(NN[5])(CHN)(H)	H(CCN)	C(NN[5])(CHN)(H)	C(NN[5])(CHN)(H)	H(CCN)	120.5750	0.092	2	120.5750	0.008	2	117.5772	18.735	12	118.5044	21.737	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	2:3:1:	3:	N-2:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(NSi[5])(CHN)(H)	C(NSi[5])(CHN)(H)	H(CCN)	C(NSi[5])(CHN)(H)	C(NSi[5])(CHN)(H)	H(CCN)	105.0390	0.000	1	105.0390	0.000	1	117.5772	18.735	12	118.5044	21.737	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	2:3:1:	3:	O-2:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(OC[6a])(COO)(H)	C(OC[6])(CHO)(O)	H(CCO)	C(OC[6a])(COO)(H)	C(OC[6])(CHO)(O)	H(CCO)	124.0670	2.073	2	124.0670	4.298	2	124.0670	4.298	2	118.5044	21.737	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	2:3:2:	3:	Se-2:C-3:H-1:	Se-2:C-3:C-2:	C-3:	C(SeC[6a])(CSeC)(H)	C(SeC[6a])(CSeH)(CW)	H(CSeC)	C(SeC[6a])(CSeC)(H)	C(SeC[6a])(CSeH)(CW)	H(CSeC)	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:1:1:	3:	N-2:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(NN[5])(CHO)(H)	C(CHN)(H)(O)	H(CCN)	C(NN[5])(CHO)(H)	C(CHN)(H)(O)	H(CCN)	121.7140	0.000	1	121.7140	0.000	1	121.7140	0.000	1	118.4872	5.704	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:1:1:	3:	O-2:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(OC[5])(CHH)(H)	C(CHO)(H)2	H(CCO)	C(OC[5])(CHH)(H)	C(CHO)(H)2	H(CCO)	118.7700	0.000	1	118.7700	0.000	1	117.6805	3.267	4	118.4872	5.704	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:1:1:	3:	O-2:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(OC[6])(CHH)(H)	C(CHO)(H)2	H(CCO)	C(OC[6])(CHH)(H)	C(CHO)(H)2	H(CCO)	116.5705	2.207	2	116.5705	4.870	2	117.6805	3.267	4	118.4872	5.704	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:1:1:	3:	O-2:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(OC[6a])(CHH)(H)	C(CHO)(H)2	H(CCO)	C(OC[6a])(CHH)(H)	C(CHO)(H)2	H(CCO)	118.8110	0.000	1	118.8110	0.000	1	117.6805	3.267	4	118.4872	5.704	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:2:1:	3:	C-2:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6])(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6])(COO)(H)	C(CCH)(OC)(O)	H(CCC)	118.5420	1.390	2	118.5420	1.933	2	118.5420	1.933	2	119.9038	4.695	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:2:1:	3:	I-2:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(IC[6a])(CHO)(H)	C(CHI)(OS)(H)	H(CCI)	C(IC[6a])(CHO)(H)	C(CHI)(OS)(H)	H(CCI)	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	119.9038	4.695	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:2:1:	3:	N-2:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(NN[5a])(CHN)(H)	C(CHN)(NN)(H)	H(CCN)	C(NN[5a])(CHN)(H)	C(CHN)(NN)(H)	H(CCN)	122.8040	0.000	1	122.8040	0.000	1	122.8040	0.000	1	119.9038	4.695	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:2:2:	3:	N-2:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(NC[6])(CCC)(H)	C(CHN)(CN)2	H(CCN)	C(NC[6])(CCC)(H)	C(CHN)(CN)2	H(CCN)	113.0600	0.000	1	113.0600	0.000	1	113.0600	0.000	1	113.0600	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:2:3:	3:	S-2:C-3:H-1:	C-3:S-2:C-3:	C-3:	C(SC[6a])(CCS)(H)	C(CC[6a]O)(SC[6a])(CHS)	H(CCS)	C(SC[6a])(CCS)(H)	C(CC[6a]O)(SC[6a])(CHS)	H(CCS)	116.6810	0.000	1	116.6810	0.000	1	116.6810	0.000	1	116.6810	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	I-2:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(IC[6a])(CHN)(H)	C(CHI)(NCO)(H)	H(CCI)	C(IC[6a])(CHN)(H)	C(CHI)(NCO)(H)	H(CCI)	117.5670	0.000	1	117.5670	0.000	1	117.5670	0.000	1	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(NC[6a])(CBrC)(H)	C(CHN)(COO)(Br)	H(CCN)	C(NC[6a])(CBrC)(H)	C(CHN)(COO)(Br)	H(CCN)	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[5a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NC[5a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	119.0820	0.833	2	119.0820	0.694	2	119.1782	2.181	41	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6])(CCH)(H)	C(CC[6]H)(CHN)(H)	H(CCN)	C(NC[6])(CCH)(H)	C(CC[6]H)(CHN)(H)	H(CCN)	118.6112	0.499	4	118.6112	0.249	4	119.1782	2.181	41	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a])(CCH)(H)	C(CC[6a]2)(CHN)(H)	H(CCN)	C(NC[6a])(CCH)(H)	C(CC[6a]2)(CHN)(H)	H(CCN)	119.4498	1.392	5	119.4498	1.938	5	119.1782	2.181	41	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NC[6a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	118.6956	0.962	19	118.6956	0.926	19	119.1782	2.181	41	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a])(CCH)(H)	C(CC[6a]O)(CHN)(H)	H(CCN)	C(NC[6a])(CCH)(H)	C(CC[6a]O)(CHN)(H)	H(CCN)	114.1440	0.000	1	114.1440	0.000	1	119.1782	2.181	41	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NN[5])(CCH)(H)	C(CCH)(CHN)(H)	H(CCN)	C(NN[5])(CCH)(H)	C(CCH)(CHN)(H)	H(CCN)	121.3100	0.390	6	121.3100	0.152	6	119.1782	2.181	41	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NN[5])(CCH)(H)	C(CC[5a]H)(CHN)(H)	H(CCN)	C(NN[5])(CCH)(H)	C(CC[5a]H)(CHN)(H)	H(CCN)	119.9260	0.272	3	119.9260	0.074	3	119.1782	2.181	41	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NN[5])(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NN[5])(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	119.4510	0.000	1	119.4510	0.000	1	119.1782	2.181	41	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a])(CHN)(H)	C(NC[3x6]C)(CHN)(H)	H(CCN)	C(NC[6a])(CHN)(H)	C(NC[3x6]C)(CHN)(H)	H(CCN)	118.4430	0.000	1	118.4430	0.000	1	121.4845	2.143	8	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a])(CHN)(H)	C(NC[6a]Al)(CHN)(H)	H(CCN)	C(NC[6a])(CHN)(H)	C(NC[6a]Al)(CHN)(H)	H(CCN)	120.5850	0.000	1	120.5850	0.000	1	121.4845	2.143	8	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a])(CHN)(H)	C(NC[6a]Ga)(CHN)(H)	H(CCN)	C(NC[6a])(CHN)(H)	C(NC[6a]Ga)(CHN)(H)	H(CCN)	121.7725	0.443	4	121.7725	0.196	4	121.4845	2.143	8	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a])(CHN)(H)	C(NC[6a]H)(CHN)(H)	H(CCN)	C(NC[6a])(CHN)(H)	C(NC[6a]H)(CHN)(H)	H(CCN)	122.8790	0.363	2	122.8790	0.132	2	121.4845	2.143	8	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	O-2:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(OC[3x6])(CClC)(H)	C(CCO)(CHO)(Cl)	H(CCO)	C(OC[3x6])(CClC)(H)	C(CCO)(CHO)(Cl)	H(CCO)	119.0865	0.067	2	119.0865	0.005	2	119.0865	0.005	2	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	O-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(OC[5a])(CCH)(H)	C(CHO)(COO)(H)	H(CCO)	C(OC[5a])(CCH)(H)	C(CHO)(COO)(H)	H(CCO)	119.2410	0.000	1	119.2410	0.000	1	118.1872	4.006	6	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	O-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(OC[6])(CCH)(H)	C(CCH)(CHO)(H)	H(CCO)	C(OC[6])(CCH)(H)	C(CCH)(CHO)(H)	H(CCO)	115.5110	0.000	1	115.5110	0.000	1	118.1872	4.006	6	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	O-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(OC[6])(CCH)(H)	C(CHO)(COO)(H)	H(CCO)	C(OC[6])(CCH)(H)	C(CHO)(COO)(H)	H(CCO)	115.7880	0.000	1	115.7880	0.000	1	118.1872	4.006	6	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	O-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(OC[6a])(CCH)(H)	C(CHO)(COO)(H)	H(CCO)	C(OC[6a])(CCH)(H)	C(CHO)(COO)(H)	H(CCO)	119.5277	0.554	3	119.5277	0.307	3	118.1872	4.006	6	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	S-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SC[3x3,4,3x5,14x6])(CCH)(H)	C(CC[5]O)(CHS)(H)	H(CCS)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	C(CC[5]O)(CHS)(H)	H(CCS)	118.0868	0.385	5	118.0868	0.148	5	117.1608	40.323	18	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	S-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SC[3x3,4,3x5,14x6])(CCH)(H)	C(CHS)(COO)(H)	H(CCS)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	C(CHS)(COO)(H)	H(CCS)	119.3660	2.495	7	119.3660	6.227	7	117.1608	40.323	18	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	S-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SC[5])(CCH)(H)	C(CHH)(CHS)(H)	H(CCS)	C(SC[5])(CCH)(H)	C(CHH)(CHS)(H)	H(CCS)	92.5981	0.000	1	92.5981	0.000	1	117.1608	40.323	18	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	S-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SC[5])(CCH)(H)	C(CHS)(COO)(H)	H(CCS)	C(SC[5])(CCH)(H)	C(CHS)(COO)(H)	H(CCS)	117.7710	0.000	1	117.7710	0.000	1	117.1608	40.323	18	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	S-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SC[5a])(CCH)(H)	C(CHS)(COO)(H)	H(CCS)	C(SC[5a])(CCH)(H)	C(CHS)(COO)(H)	H(CCS)	117.3260	0.000	1	117.3260	0.000	1	117.1608	40.323	18	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	S-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SC[5x3,5x5,20x6])(CCH)(H)	C(CC[5]O)(CHS)(H)	H(CCS)	C(SC[5x3,5x5,20x6])(CCH)(H)	C(CC[5]O)(CHS)(H)	H(CCS)	117.6520	0.000	1	117.6520	0.000	1	117.1608	40.323	18	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:1:	3:	S-2:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SC[6a])(CCH)(H)	C(CCH)(CHS)(H)	H(CCS)	C(SC[6a])(CCH)(H)	C(CCH)(CHS)(H)	H(CCS)	118.7760	0.146	2	118.7760	0.021	2	117.1608	40.323	18	118.8159	12.200	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:2:	3:	N-2:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(NC[6a])(CCC)(H)	C(CC[5a]H)(CHN)(CN)	H(CCN)	C(NC[6a])(CCC)(H)	C(CC[5a]H)(CHN)(CN)	H(CCN)	116.2820	2.503	2	116.2820	6.266	2	117.6208	4.525	4	118.2938	3.804	6	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:2:	3:	N-2:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(NC[6a])(CCC)(H)	C(CHN)2(CN)	H(CCN)	C(NC[6a])(CCC)(H)	C(CHN)2(CN)	H(CCN)	118.9595	0.373	2	118.9595	0.139	2	117.6208	4.525	4	118.2938	3.804	6	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:2:	3:	N-2:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(NC[5a])(CCO)(H)	C(CC[6a]H)(CHN)(OC)	H(CCN)	C(NC[5a])(CCO)(H)	C(CC[6a]H)(CHN)(OC)	H(CCN)	119.5720	0.000	1	119.5720	0.000	1	119.5720	0.000	1	118.2938	3.804	6	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:2:	3:	O-2:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(OC[6a])(CCC)(H)	C(CHO)(COO)(CC)	H(CCO)	C(OC[6a])(CCC)(H)	C(CHO)(COO)(CC)	H(CCO)	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	118.2938	3.804	6	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:3:	3:	N-2:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a])(CCC)(H)	C(CC[6a]O)(CHN)2	H(CCN)	C(NC[6a])(CCC)(H)	C(CC[6a]O)(CHN)2	H(CCN)	118.4105	0.257	2	118.4105	0.066	2	118.4105	0.066	2	119.8720	3.337	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:3:	3:	N-2:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(NC[6])(CCN)(H)	C(CHN)2(NOO)	H(CCN)	C(NC[6])(CCN)(H)	C(CHN)2(NOO)	H(CCN)	122.7630	0.000	1	122.7630	0.000	1	120.8463	3.081	3	119.8720	3.337	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:3:3:	3:	N-2:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(NC[6a])(CCN)(H)	C(CHN)2(NOO)	H(CCN)	C(NC[6a])(CCN)(H)	C(CHN)2(NOO)	H(CCN)	119.8880	0.808	2	119.8880	0.652	2	120.8463	3.081	3	119.8720	3.337	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:4:3:	3:	I-2:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(IC[6a])(CCN)(H)	C(NC[6a]S)(CH3)(CHI)	H(CCI)	C(IC[6a])(CCN)(H)	C(NC[6a]S)(CH3)(CHI)	H(CCI)	118.4500	0.000	1	118.4500	0.000	1	118.4500	0.000	1	118.6984	0.056	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:4:3:	3:	N-2:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(NC[6])(CCC)(H)	C(CBrH)(CH3)(CHN)	H(CCN)	C(NC[6])(CCC)(H)	C(CBrH)(CH3)(CHN)	H(CCN)	119.0110	0.000	1	119.0110	0.000	1	118.7605	0.049	4	118.6984	0.056	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	3:4:3:	3:	N-2:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(NC[6a])(CCC)(H)	C(CC[6a]H)(CH3)(CHN)	H(CCN)	C(NC[6a])(CCC)(H)	C(CC[6a]H)(CH3)(CHN)	H(CCN)	118.6770	0.177	3	118.6770	0.031	3	118.7605	0.049	4	118.6984	0.056	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:3:1:	3:	I-2:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(IC[6a])(CClC)(H)	C(CCHH)(CHI)(Cl)	H(CCI)	C(IC[6a])(CClC)(H)	C(CCHH)(CHI)(Cl)	H(CCI)	119.5010	0.000	1	119.5010	0.000	1	126.5090	98.224	2	118.2775	20.078	16	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:3:1:	3:	I-2:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(IC[6a])(CClC)(H)	C(CC[5]HH)(CHI)(Cl)	H(CCI)	C(IC[6a])(CClC)(H)	C(CC[5]HH)(CHI)(Cl)	H(CCI)	133.5170	0.000	1	133.5170	0.000	1	126.5090	98.224	2	118.2775	20.078	16	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:3:1:	3:	O-2:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(OC[5])(CCH)(H)	C(CCHO)(CHO)(H)	H(CCO)	C(OC[5])(CCH)(H)	C(CCHO)(CHO)(H)	H(CCO)	116.6405	1.369	11	116.6405	1.874	11	116.5278	1.856	12	118.2775	20.078	16	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:3:1:	3:	O-2:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(OC[6a])(CCH)(H)	C(CCCO)(CHO)(H)	H(CCO)	C(OC[6a])(CCH)(H)	C(CCCO)(CHO)(H)	H(CCO)	115.2880	0.000	1	115.2880	0.000	1	116.5278	1.856	12	118.2775	20.078	16	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:3:1:	3:	Se-2:C-3:H-1:	C-4:C-3:I-1:	C-3:	C(SeC[6a])(CCI)(H)	C(CHHN)(CSeH)(I)	H(CSeC)	C(SeC[6a])(CCI)(H)	C(CHHN)(CSeH)(I)	H(CSeC)	120.5440	0.000	2	120.5440	0.000	2	120.5440	0.000	2	118.2775	20.078	16	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:3:2:	3:	I-2:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(IC[6a])(CCO)(H)	C(CBrHH)(CHI)(OS)	H(CCI)	C(IC[6a])(CCO)(H)	C(CBrHH)(CHI)(OS)	H(CCI)	119.0890	0.000	1	119.0890	0.000	1	119.0107	0.006	3	119.0107	0.006	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:3:2:	3:	I-2:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(IC[6a])(CCO)(H)	C(CCHH)(CHI)(OS)	H(CCI)	C(IC[6a])(CCO)(H)	C(CCHH)(CHI)(OS)	H(CCI)	118.9715	0.047	2	118.9715	0.002	2	119.0107	0.006	3	119.0107	0.006	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:3:3:	3:	C-2:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6])(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CC[6])(CCC)(H)	C(CH3)(CCH)2	H(CCC)	117.9090	0.015	4	117.9090	0.000	4	117.9090	0.000	4	118.1392	2.688	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:3:3:	3:	N-2:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(NN[6])(CCC)(H)	C(CCHH)(CHH)(CHN)	H(CCN)	C(NN[6])(CCC)(H)	C(CCHH)(CHH)(CHN)	H(CCN)	119.2170	0.163	2	119.2170	0.026	2	119.2170	0.026	2	118.1392	2.688	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:3:3:	3:	O-2:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(OC[6a])(CCC)(H)	C(CH3)(CCO)(CHO)	H(CCO)	C(OC[6a])(CCC)(H)	C(CH3)(CCO)(CHO)	H(CCO)	123.0840	0.000	1	123.0840	0.000	1	123.0840	0.000	1	118.1392	2.688	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:3:3:	3:	S-2:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(SC[6a])(CCC)(H)	C(CC[6a]HH)(CHS)(CNO)	H(CCS)	C(SC[6a])(CCC)(H)	C(CC[6a]HH)(CHS)(CNO)	H(CCS)	117.2564	0.642	7	117.2564	0.412	7	117.2564	0.412	7	118.1392	2.688	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	2:3:1:	4:4:3:	3:	I-2:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(IC[6a])(CCC)(H)	C(CCHH)(CH3)(CHI)	H(CCI)	C(IC[6a])(CCC)(H)	C(CCHH)(CH3)(CHI)	H(CCI)	118.6935	0.040	2	118.6935	0.002	2	118.6935	0.002	2	118.6935	0.002	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:3:1:	3:	C-3:H-1:H-1:	O-2:C-3:H-1:	C-3:	C(CHO)(H)2	C(OC[5])(CHH)(H)	H(CCH)	C(CHO)(H)2	C(OC[5])(CHH)(H)	H(CCH)	119.9770	0.049	2	119.9770	0.002	2	119.9977	0.001	6	115.1951	38.149	15	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:3:1:	3:	C-3:H-1:H-1:	O-2:C-3:H-1:	C-3:	C(CHO)(H)2	C(OC[6])(CHH)(H)	H(CCH)	C(CHO)(H)2	C(OC[6])(CHH)(H)	H(CCH)	120.0213	0.028	3	120.0213	0.001	3	119.9977	0.001	6	115.1951	38.149	15	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:3:1:	3:	C-3:H-1:H-1:	O-2:C-3:H-1:	C-3:	C(CHO)(H)2	C(OC[6a])(CHH)(H)	H(CCH)	C(CHO)(H)2	C(OC[6a])(CHH)(H)	H(CCH)	119.9680	0.000	1	119.9680	0.000	1	119.9977	0.001	6	115.1951	38.149	15	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:3:1:	3:	C-3:H-1:H-1:	O-2:C-3:O-1:	C-3:	C(COO)(H)2	C(OC[5])(CHH)(O)	H(CCH)	C(COO)(H)2	C(OC[5])(CHH)(O)	H(CCH)	111.1935	4.666	2	111.1935	21.773	2	111.2237	37.254	8	115.1951	38.149	15	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:3:1:	3:	C-3:H-1:H-1:	O-2:C-3:O-1:	C-3:	C(COO)(H)2	C(OC[6])(CHH)(O)	H(CCH)	C(COO)(H)2	C(OC[6])(CHH)(O)	H(CCH)	111.2338	6.914	6	111.2338	47.800	6	111.2237	37.254	8	115.1951	38.149	15	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:3:1:	3:	C-3:H-1:O-1:	N-2:C-3:H-1:	C-3:	C(CHN)(H)(O)	C(NN[5])(CHO)(H)	H(CCO)	C(CHN)(H)(O)	C(NN[5])(CHO)(H)	H(CCO)	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	115.1951	38.149	15	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	O-2:C-3:C-3:	C-3:	C(CCO)(H)2	C(OP[6])(CHH)(COO)	H(CCH)	C(CCO)(H)2	C(OP[6])(CHH)(COO)	H(CCH)	120.0020	0.013	2	120.0020	0.000	2	120.0020	0.000	2	120.0020	0.000	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:4:3:	3:	C-3:Br-1:H-1:	S-2:C-4:C-3:	C-3:	C(CCS)(Br)(H)	C(SC[5])(CCHH)(CBrH)	H(CBrC)	C(CCS)(Br)(H)	C(SC[5])(CCHH)(CBrH)	H(CBrC)	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	119.7592	0.698	12	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:4:3:	3:	C-3:H-1:H-1:	O-2:C-4:C-3:	C-3:	C(CCO)(H)2	C(OC[6])(CH3)(CHH)	H(CCH)	C(CCO)(H)2	C(OC[6])(CH3)(CHH)	H(CCH)	120.0150	0.006	2	120.0150	0.000	2	120.0031	0.000	8	119.7592	0.698	12	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:4:3:	3:	C-3:H-1:H-1:	O-2:C-4:C-3:	C-3:	C(CCO)(H)2	C(OC[6a])(CCHP)(CHH)	H(CCH)	C(CCO)(H)2	C(OC[6a])(CCHP)(CHH)	H(CCH)	119.9955	0.019	2	119.9955	0.000	2	120.0031	0.000	8	119.7592	0.698	12	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:4:3:	3:	C-3:H-1:H-1:	O-2:C-4:C-3:	C-3:	C(CCO)(H)2	C(OC[6a])(CHHN)(CHH)	H(CCH)	C(CCO)(H)2	C(OC[6a])(CHHN)(CHH)	H(CCH)	120.0010	0.006	4	120.0010	0.000	4	120.0031	0.000	8	119.7592	0.698	12	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	2:4:3:	3:	C-3:H-1:H-1:	S-2:C[5]-4:C-3:	C-3:	C(CC[5]S)(H)2	C(SC[3x3,4,3x5,14x6])(C[5]C[5]2Fe)(CHH)	H(CCH)	C(CC[5]S)(H)2	C(SC[3x3,4,3x5,14x6])(C[5]C[5]2Fe)(CHH)	H(CCH)	119.9930	0.035	3	119.9930	0.001	3	119.9930	0.001	3	119.7592	0.698	12	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:1:1:	3:	C-3:Cl-1:H-1:	C-3:Cl-1:Cl-1:	C-3:	C(CCl2)(Cl)(H)	C(CClH)(Cl)2	H(CClC)	C(CCl2)(Cl)(H)	C(CClH)(Cl)2	H(CClC)	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	110.9482	23.213	149	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:1:1:	3:	C-3:Cl-1:H-1:	C-3:Cl-1:H-1:	C-3:	C(CClH)(Cl)(H)	C(CClH)(Cl)(H)	H(CClC)	C(CClH)(Cl)(H)	C(CClH)(Cl)(H)	H(CClC)	111.9565	0.265	2	111.9565	0.070	2	111.9565	0.070	2	110.9482	23.213	149	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:1:1:	3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(H)2	C(CHH)(H)2	H(CCH)	C(CHH)(H)2	C(CHH)(H)2	H(CCH)	110.8876	4.833	146	110.8876	23.354	146	110.8876	23.354	146	110.9482	23.213	149	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:Br-1:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)(Br)(H)	C(CBrH)(CC)(H)	H(CBrC)	C(CCH)(Br)(H)	C(CBrH)(CC)(H)	H(CBrC)	126.3170	0.000	1	126.3170	0.000	1	126.3170	0.000	1	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:Cl-1:H-1:	C-3:O-2:H-1:	C-3:	C(CHO)(Cl)(H)	C(CClH)(OC)(H)	H(CClC)	C(CHO)(Cl)(H)	C(CClH)(OC)(H)	H(CClC)	119.8710	0.000	1	119.8710	0.000	1	119.8710	0.000	1	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)(H)2	C(CHH)(CC)(H)	H(CCH)	C(CCH)(H)2	C(CHH)(CC)(H)	H(CCH)	116.5610	1.798	4	116.5610	3.232	4	118.8679	3.785	12	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)(H)2	C(CHH)(CN)(H)	H(CCH)	C(CCH)(H)2	C(CHH)(CN)(H)	H(CCH)	120.0214	0.023	8	120.0214	0.001	8	118.8679	3.785	12	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	C-3:O-2:H-1:	C-3:	C(CHO)(H)2	C(CHH)(OC)(H)	H(CCH)	C(CHO)(H)2	C(CHH)(OC)(H)	H(CCH)	120.0096	0.055	7	120.0096	0.003	7	119.9993	0.003	15	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	C-3:O-2:H-1:	C-3:	C(CHO)(H)2	C(CHH)(OSi)(H)	H(CCH)	C(CHO)(H)2	C(CHH)(OSi)(H)	H(CCH)	119.9903	0.052	8	119.9903	0.003	8	119.9993	0.003	15	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	C-3:O-2:N-1:	C-3:	C(CNO)(H)2	C(CHH)(OS)(N)	H(CCH)	C(CNO)(H)2	C(CHH)(OS)(N)	H(CCH)	119.9950	0.024	4	119.9950	0.001	4	119.9950	0.001	4	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	C-3:O-2:O-1:	C-3:	C(COO)(H)2	C(CHH)(OC)(O)	H(CCH)	C(COO)(H)2	C(CHH)(OC)(O)	H(CCH)	113.7830	16.941	2	113.7830	286.993	2	111.4151	36.353	10	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	C-3:O-2:O-1:	C-3:	C(COO)(H)2	C(CHH)(OH)(O)	H(CCH)	C(COO)(H)2	C(CHH)(OH)(O)	H(CCH)	109.9772	1.164	4	109.9772	1.354	4	111.4151	36.353	10	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	C-3:O-2:O-1:	C-3:	C(COO)(H)2	C(CHH)(OPd)(O)	H(CCH)	C(COO)(H)2	C(CHH)(OPd)(O)	H(CCH)	110.1580	1.144	2	110.1580	1.309	2	111.4151	36.353	10	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	C-3:O-2:O-1:	C-3:	C(COO)(H)2	C(CHH)(OZn)(O)	H(CCH)	C(COO)(H)2	C(CHH)(OZn)(O)	H(CCH)	113.1800	2.437	2	113.1800	5.937	2	111.4151	36.353	10	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:O-1:	C-3:N-2:H-1:	C-3:	C(CHN)(H)(O)	C(CHO)(NN)(H)	H(CCO)	C(CHN)(H)(O)	C(CHO)(NN)(H)	H(CCO)	117.8905	0.446	2	117.8905	0.199	2	117.8905	0.199	2	117.8334	21.796	45	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	C-3:C-2:O-2:	C-3:	C(CCO)(H)2	C(CHH)(CC)(OB)	H(CCH)	C(CCO)(H)2	C(CHH)(CC)(OB)	H(CCH)	120.0345	0.014	4	120.0345	0.000	4	120.0345	0.000	4	115.4468	19.081	12	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	C-3:N-2:O-2:	C-3:	C(CNO)(H)2	C(CHH)(NPt)(OC)	H(CCH)	C(CNO)(H)2	C(CHH)(NPt)(OC)	H(CCH)	113.4080	4.055	2	113.4080	16.439	2	113.4808	8.406	4	115.4468	19.081	12	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	C-3:N-2:O-2:	C-3:	C(CNO)(H)2	C(CHH)(NPt)(ON)	H(CCH)	C(CNO)(H)2	C(CHH)(NPt)(ON)	H(CCH)	113.5535	2.959	2	113.5535	8.757	2	113.4808	8.406	4	115.4468	19.081	12	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	C-3:O-2:C-2:	C-3:	C(CCO)(H)2	C(CHH)(ORh)(CC)	H(CCH)	C(CCO)(H)2	C(CHH)(ORh)(CC)	H(CCH)	111.4365	6.816	2	111.4365	46.455	2	111.4365	46.455	2	115.4468	19.081	12	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	C-3:O-2:O-2:	C-3:	C(COO)(H)2	C(CHH)(OCu)2	H(CCH)	C(COO)(H)2	C(CHH)(OCu)2	H(CCH)	114.2140	1.833	2	114.2140	3.359	2	114.2140	3.359	2	115.4468	19.081	12	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:3:	3:	C-3:H-1:H-1:	C[6a]-3:O-2:C-3:	C-3:	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OC[5a])(CHH)	H(CCH)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OC[5a])(CHH)	H(CCH)	119.9915	0.026	2	119.9915	0.001	2	119.9790	0.001	4	119.9790	0.001	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:2:3:	3:	C-3:H-1:H-1:	C[6a]-3:O-2:C-3:	C-3:	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHH)	H(CCH)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHH)	H(CCH)	119.9665	0.021	2	119.9665	0.000	2	119.9790	0.001	4	119.9790	0.001	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:Cl-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(Cl)(H)	C(CClH)(CCH)(H)	H(CClC)	C(CCH)(Cl)(H)	C(CClH)(CCH)(H)	H(CClC)	102.0380	0.000	1	102.0380	0.000	1	102.0380	0.000	1	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:Cl-1:H-1:	C-3:N-3:Cl-1:	C-3:	C(CClN)(Cl)(H)	C(CClH)(NCS)(Cl)	H(CClC)	C(CClN)(Cl)(H)	C(CClH)(NCS)(Cl)	H(CClC)	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:Cl-1:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(Cl)(H)	C(C[6a]C[6a]2)(CClH)(H)	H(CClC)	C(CC[6a]H)(Cl)(H)	C(C[6a]C[6a]2)(CClH)(H)	H(CClC)	118.7700	0.000	1	118.7700	0.000	1	118.7700	0.000	1	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:Cl-1:H-1:	N[5a]-3:C-3:Cl-1:	C-3:	C(CN[5a]Cl)(Cl)(H)	C(N[5a]C[5a,6a]2)(CClH)(Cl)	H(CClC)	C(CN[5a]Cl)(Cl)(H)	C(N[5a]C[5a,6a]2)(CClH)(Cl)	H(CClC)	118.1290	0.197	2	118.1290	0.039	2	118.1290	0.039	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:F-1:H-1:	C-3:C-3:F-1:	C-3:	C(CCF)(F)(H)	C(CC[6a]O)(CFH)(F)	H(CCF)	C(CCF)(F)(H)	C(CC[6a]O)(CFH)(F)	H(CCF)	119.9190	0.000	1	119.9190	0.000	1	119.9190	0.000	1	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	B-3:C-3:H-1:	C-3:	C(CBH)(H)2	C(BCN)(CHH)(H)	H(CCH)	C(CBH)(H)2	C(BCN)(CHH)(H)	H(CCH)	119.9970	0.042	6	119.9970	0.002	6	119.9970	0.002	6	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(H)2	C(CCH)(CHH)(Br)	H(CCH)	C(CBrC)(H)2	C(CCH)(CHH)(Br)	H(CCH)	120.0065	0.081	2	120.0065	0.007	2	120.0065	0.007	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:Cl-1:	C-3:	C(CClC)(H)2	C(CCC)(CHH)(Cl)	H(CCH)	C(CClC)(H)2	C(CCC)(CHH)(Cl)	H(CCH)	118.5965	2.979	2	118.5965	8.875	2	118.5965	8.875	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CBrC)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CBrC)(CHH)(H)	H(CCH)	119.2410	0.352	2	119.2410	0.124	2	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCC)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCC)(CHH)(H)	H(CCH)	119.9875	0.045	24	119.9875	0.002	24	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCH)(CHH)(H)	H(CCH)	120.0445	1.522	59	120.0445	2.317	59	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCO)(CHH)(H)	H(CCH)	120.0394	0.222	5	120.0394	0.049	5	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5]C)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5]C)(CHH)(H)	H(CCH)	120.0032	0.049	4	120.0032	0.002	4	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5]O)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5]O)(CHH)(H)	H(CCH)	119.9920	0.024	2	119.9920	0.001	2	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5a]C)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5a]C)(CHH)(H)	H(CCH)	121.6890	1.370	2	121.6890	1.878	2	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6,6]H)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6,6]H)(CHH)(H)	H(CCH)	122.5495	1.679	2	122.5495	2.820	2	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6]H)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6]H)(CHH)(H)	H(CCH)	120.0110	0.011	2	120.0110	0.000	2	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]C)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]C)(CHH)(H)	H(CCH)	120.3687	0.762	6	120.3687	0.581	6	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHH)(CHN)(H)	H(CCH)	C(CCH)(H)2	C(CHH)(CHN)(H)	H(CCH)	124.4377	5.180	4	124.4377	26.833	4	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHH)(CHO)(H)	H(CCH)	C(CCH)(H)2	C(CHH)(CHO)(H)	H(CCH)	120.5192	1.160	5	120.5192	1.346	5	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHH)(CHS)(H)	H(CCH)	C(CCH)(H)2	C(CHH)(CHS)(H)	H(CCH)	127.4340	1.396	2	127.4340	1.948	2	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHH)(CNN)(H)	H(CCH)	C(CCH)(H)2	C(CHH)(CNN)(H)	H(CCH)	117.8735	4.719	4	117.8735	22.265	4	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHH)(CNO)(H)	H(CCH)	C(CCH)(H)2	C(CHH)(CNO)(H)	H(CCH)	120.1268	0.736	68	120.1268	0.542	68	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHH)(COO)(H)	H(CCH)	C(CCH)(H)2	C(CHH)(COO)(H)	H(CCH)	120.2509	1.219	54	120.2509	1.486	54	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHH)2(H)	H(CCH)	C(CCH)(H)2	C(CHH)2(H)	H(CCH)	109.9315	2.337	8	109.9315	5.461	8	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[5]C)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[5]C)(CHH)(H)	H(CCH)	120.0015	0.008	2	120.0015	0.000	2	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[6]N)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[6]N)(CHH)(H)	H(CCH)	120.0220	0.017	2	120.0220	0.000	2	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[6]O)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[6]O)(CHH)(H)	H(CCH)	120.9207	2.755	12	120.9207	7.589	12	119.9671	5.928	269	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:C-3:O-1:	C-3:	C(CCO)(H)2	C(CCC)(CHH)(O)	H(CCH)	C(CCO)(H)2	C(CCC)(CHH)(O)	H(CCH)	109.4580	0.486	2	109.4580	0.237	2	109.4580	0.237	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:Cl-1:	C-3:	C(CClN)(H)2	C(CHH)(NCC)(Cl)	H(CCH)	C(CClN)(H)2	C(CHH)(NCC)(Cl)	H(CCH)	118.7625	1.121	2	118.7625	1.256	2	118.7625	1.256	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:H-1:	C-3:	C(CHN)(H)2	C(CHH)(NCS)(H)	H(CCH)	C(CHN)(H)2	C(CHH)(NCS)(H)	H(CCH)	119.9960	0.000	1	119.9960	0.000	1	119.9960	0.000	1	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	C-3:	C(CNO)(H)2	C(CHH)(NCC)(O)	H(CCH)	C(CNO)(H)2	C(CHH)(NCC)(O)	H(CCH)	113.3780	0.055	2	113.3780	0.003	2	110.9550	13.127	4	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	C-3:	C(CNO)(H)2	C(CHH)(NCH)(O)	H(CCH)	C(CNO)(H)2	C(CHH)(NCH)(O)	H(CCH)	108.5320	3.987	2	108.5320	15.894	2	110.9550	13.127	4	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]2)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2)(CHH)(H)	H(CCH)	120.4428	0.535	4	120.4428	0.286	4	120.2105	0.186	8	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]N[5])(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]N[5])(CHH)(H)	H(CCH)	119.9790	0.037	2	119.9790	0.001	2	120.2105	0.186	8	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]P[5])(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]P[5])(CHH)(H)	H(CCH)	119.9775	0.097	2	119.9775	0.009	2	120.2105	0.186	8	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(H)2	C(C[5a]C[5a,6]C[5a])(CHH)(H)	H(CCH)	C(CC[5a]H)(H)2	C(C[5a]C[5a,6]C[5a])(CHH)(H)	H(CCH)	119.9540	0.029	4	119.9540	0.001	4	119.9840	0.002	20	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(H)2	C(C[5a]C[5a,6a]C[5a])(CHH)(H)	H(CCH)	C(CC[5a]H)(H)2	C(C[5a]C[5a,6a]C[5a])(CHH)(H)	H(CCH)	120.0087	0.032	4	120.0087	0.001	4	119.9840	0.002	20	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(H)2	C(C[5a]C[5a,6a]N[5a])(CHH)(H)	H(CCH)	C(CC[5a]H)(H)2	C(C[5a]C[5a,6a]N[5a])(CHH)(H)	H(CCH)	120.0025	0.021	2	120.0025	0.000	2	119.9840	0.002	20	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(H)2	C(C[5a]C[5a]2)(CHH)(H)	H(CCH)	C(CC[5a]H)(H)2	C(C[5a]C[5a]2)(CHH)(H)	H(CCH)	119.9500	0.050	4	119.9500	0.002	4	119.9840	0.002	20	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(H)2	C(C[5a]C[5a]N[5a])(CHH)(H)	H(CCH)	C(CC[5a]H)(H)2	C(C[5a]C[5a]N[5a])(CHH)(H)	H(CCH)	120.0040	0.021	6	120.0040	0.000	6	119.9840	0.002	20	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6])(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6])(CHH)(H)	H(CCH)	121.1190	2.820	8	121.1190	7.953	8	120.3785	3.461	51	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6])(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6])(CHH)(H)	H(CCH)	120.2805	0.379	4	120.2805	0.144	4	120.3785	3.461	51	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6]2)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2)(CHH)(H)	H(CCH)	120.1925	1.831	33	120.1925	3.354	33	120.3785	3.461	51	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6]N[6])(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]N[6])(CHH)(H)	H(CCH)	120.4793	0.893	6	120.4793	0.797	6	120.3785	3.461	51	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6]-3:C-3:O-1:	C-3:	C(CC[6]O)(H)2	C(C[6]C[6]2)(CHH)(O)	H(CCH)	C(CC[6]O)(H)2	C(C[6]C[6]2)(CHH)(O)	H(CCH)	105.7620	0.133	2	105.7620	0.018	2	105.7620	0.018	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]Cl)(H)2	C(C[6a]C[6a]2)(CHH)(Cl)	H(CCH)	C(CC[6a]Cl)(H)2	C(C[6a]C[6a]2)(CHH)(Cl)	H(CCH)	120.0100	0.013	2	120.0100	0.000	2	120.0100	0.000	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(H)2	C(C[6a]C[6a,6a]2)(CHH)(H)	H(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a,6a]2)(CHH)(H)	H(CCH)	120.5280	1.437	5	120.5280	2.065	5	120.0637	2.066	158	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(H)2	C(C[6a]C[6a,6a]C[6,6a])(CHH)(H)	H(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a,6a]C[6,6a])(CHH)(H)	H(CCH)	119.9970	0.014	4	119.9970	0.000	4	120.0637	2.066	158	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	H(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	H(CCH)	120.0499	1.459	149	120.0499	2.128	149	120.0637	2.066	158	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)(H)2	C(NC[6a]C)(CHH)(H)	H(CCH)	C(CHN)(H)2	C(NC[6a]C)(CHH)(H)	H(CCH)	119.9815	0.069	2	119.9815	0.005	2	119.9815	0.005	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:C-3:O-1:	C-3:	C(CNO)(H)2	C(NC[6]H)(CHH)(O)	H(CCH)	C(CNO)(H)2	C(NC[6]H)(CHH)(O)	H(CCH)	111.6200	1.827	2	111.6200	3.339	2	114.0260	15.545	6	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:C-3:O-1:	C-3:	C(CNO)(H)2	C(NC[6a]H)(CHH)(O)	H(CCH)	C(CNO)(H)2	C(NC[6a]H)(CHH)(O)	H(CCH)	115.2290	4.360	4	115.2290	19.007	4	114.0260	15.545	6	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	H(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	H(CCH)	120.0079	0.049	43	120.0079	0.002	43	120.0059	0.003	45	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(H)2	C(N[5]C[5]N[5])(CHH)(H)	H(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]N[5])(CHH)(H)	H(CCH)	119.9625	0.064	2	119.9625	0.004	2	120.0059	0.003	45	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CN[5]O)(H)2	C(N[5]C[5]N[5])(CHH)(O)	H(CCH)	C(CN[5]O)(H)2	C(N[5]C[5]N[5])(CHH)(O)	H(CCH)	115.6420	0.474	2	115.6420	0.224	2	115.6420	0.224	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(CN[5a]H)(H)2	C(N[5a]C[5a,6a]C[5a])(CHH)(H)	H(CCH)	C(CN[5a]H)(H)2	C(N[5a]C[5a,6a]C[5a])(CHH)(H)	H(CCH)	119.9895	0.022	2	119.9895	0.000	2	119.9911	0.001	14	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(CN[5a]H)(H)2	C(N[5a]C[5a]2)(CHH)(H)	H(CCH)	C(CN[5a]H)(H)2	C(N[5a]C[5a]2)(CHH)(H)	H(CCH)	119.9945	0.031	10	119.9945	0.001	10	119.9911	0.001	14	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(CN[5a]H)(H)2	C(N[5a]C[5a]N[5a])(CHH)(H)	H(CCH)	C(CN[5a]H)(H)2	C(N[5a]C[5a]N[5a])(CHH)(H)	H(CCH)	119.9760	0.007	2	119.9760	0.000	2	119.9911	0.001	14	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5a]-3:C-3:O-1:	C-3:	C(CN[5a]O)(H)2	C(N[5a]C[5a]N[5a])(CHH)(O)	H(CCH)	C(CN[5a]O)(H)2	C(N[5a]C[5a]N[5a])(CHH)(O)	H(CCH)	107.0530	2.633	2	107.0530	6.934	2	107.0530	6.934	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	O-3:C-3:H-1:	C-3:	C(CHO)(H)2	C(OLiC)(CHH)(H)	H(CCH)	C(CHO)(H)2	C(OLiC)(CHH)(H)	H(CCH)	119.9845	0.012	2	119.9845	0.000	2	119.9845	0.000	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	P-3:C-3:H-1:	C-3:	C(CHP)(H)2	C(PC[6a]2)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PC[6a]2)(CHH)(H)	H(CCH)	119.9915	0.052	2	119.9915	0.003	2	120.0080	0.001	6	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	P-3:C-3:H-1:	C-3:	C(CHP)(H)2	C(PC[6a]C)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PC[6a]C)(CHH)(H)	H(CCH)	120.0162	0.018	4	120.0162	0.000	4	120.0080	0.001	6	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	S-3:C-3:H-1:	C-3:	C(CHS)(H)2	C(SC[6a]Co)(CHH)(H)	H(CCH)	C(CHS)(H)2	C(SC[6a]Co)(CHH)(H)	H(CCH)	119.9730	0.020	2	119.9730	0.000	2	119.9985	0.002	4	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	S-3:C-3:H-1:	C-3:	C(CHS)(H)2	C(SIrC)(CHH)(H)	H(CCH)	C(CHS)(H)2	C(SIrC)(CHH)(H)	H(CCH)	120.0240	0.055	2	120.0240	0.003	2	119.9985	0.002	4	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(I)	C(CCH)(CHI)(H)	H(CCI)	C(CCH)(H)(I)	C(CCH)(CHI)(H)	H(CCI)	117.1692	1.444	4	117.1692	2.085	4	118.4233	5.277	6	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(I)	C(CCO)(CHI)(H)	H(CCI)	C(CCH)(H)(I)	C(CCO)(CHI)(H)	H(CCI)	120.1380	0.000	1	120.1380	0.000	1	118.4233	5.277	6	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(I)	C(CHI)(COO)(H)	H(CCI)	C(CCH)(H)(I)	C(CHI)(COO)(H)	H(CCI)	121.7250	0.000	1	121.7250	0.000	1	118.4233	5.277	6	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]Cl)(H)(I)	C(C[6a]C[6a]2)(CHI)(Cl)	H(CCI)	C(CC[6a]Cl)(H)(I)	C(C[6a]C[6a]2)(CHI)(Cl)	H(CCI)	118.6850	0.291	2	118.6850	0.085	2	118.6850	0.085	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(H)(I)	C(C[6a]C[6a]2)(CHI)(H)	H(CCI)	C(CC[6a]H)(H)(I)	C(C[6a]C[6a]2)(CHI)(H)	H(CCI)	118.1732	0.475	6	118.1732	0.226	6	118.1732	0.226	6	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:I-1:	N[5a]-3:C-3:H-1:	C-3:	C(CN[5a]H)(H)(I)	C(N[5a]C[5a,6a]2)(CHI)(H)	H(CCI)	C(CN[5a]H)(H)(I)	C(N[5a]C[5a,6a]2)(CHI)(H)	H(CCI)	117.5190	0.000	1	117.5190	0.000	1	117.5190	0.000	1	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(H)(O)	C(CC[6a]N)(CHO)(Br)	H(CCO)	C(CBrC)(H)(O)	C(CC[6a]N)(CHO)(Br)	H(CCO)	117.2580	0.622	3	117.2580	0.386	3	115.9202	8.396	5	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(H)(O)	C(CHO)2(Br)	H(CCO)	C(CBrC)(H)(O)	C(CHO)2(Br)	H(CCO)	113.9135	4.403	2	113.9135	19.388	2	115.9202	8.396	5	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CCH)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CCH)(CHO)(H)	H(CCO)	115.6079	2.675	7	115.6079	7.156	7	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[5]Cl)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[5]Cl)(CHO)(H)	H(CCO)	118.3935	0.231	2	118.3935	0.053	2	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[5]H)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[5]H)(CHO)(H)	H(CCO)	116.8375	0.548	4	116.8375	0.301	4	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[5a]H)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[5a]H)(CHO)(H)	H(CCO)	117.2914	1.174	5	117.2914	1.377	5	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[6]H)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[6]H)(CHO)(H)	H(CCO)	117.1155	0.042	2	117.1155	0.002	2	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[6a]C)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[6a]C)(CHO)(H)	H(CCO)	118.1850	0.286	2	118.1850	0.082	2	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[6a]C[5])(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[6a]C[5])(CHO)(H)	H(CCO)	117.6623	0.105	3	117.6623	0.011	3	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[6a]Cl)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[6a]Cl)(CHO)(H)	H(CCO)	118.0420	0.000	1	118.0420	0.000	1	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[6a]H)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[6a]H)(CHO)(H)	H(CCO)	116.5490	1.573	7	116.5490	2.473	7	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[6a]N)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[6a]N)(CHO)(H)	H(CCO)	117.6190	0.000	1	117.6190	0.000	1	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[6a]N[5a])(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[6a]N[5a])(CHO)(H)	H(CCO)	118.0110	0.605	7	118.0110	0.366	7	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[6a]O)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[6a]O)(CHO)(H)	H(CCO)	117.3690	0.000	1	117.3690	0.000	1	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CC[6a]Ru)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CC[6a]Ru)(CHO)(H)	H(CCO)	118.9180	0.000	1	118.9180	0.000	1	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CHH)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CHH)(CHO)(H)	H(CCO)	112.0435	0.251	2	112.0435	0.063	2	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CN[6]H)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CN[6]H)(CHO)(H)	H(CCO)	115.5395	1.719	2	115.5395	2.955	2	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C-3:	C(CCH)(H)(O)	C(CRuH)(CHO)(H)	H(CCO)	C(CCH)(H)(O)	C(CRuH)(CHO)(H)	H(CCO)	116.7480	0.000	1	116.7480	0.000	1	116.8587	3.363	48	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(H)(O)	C(C[5]C[5,6]C[5])(CHO)(H)	H(CCO)	C(CC[5]H)(H)(O)	C(C[5]C[5,6]C[5])(CHO)(H)	H(CCO)	118.9585	0.254	2	118.9585	0.064	2	118.6477	0.322	3	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(H)(O)	C(C[5]C[5,6a]C[5])(CHO)(H)	H(CCO)	C(CC[5]H)(H)(O)	C(C[5]C[5,6a]C[5])(CHO)(H)	H(CCO)	118.0260	0.000	1	118.0260	0.000	1	118.6477	0.322	3	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C[6,6]-3:C-3:H-1:	C-3:	C(CC[6,6]H)(H)(O)	C(C[6,6]C[3x6]C[6,6])(CHO)(H)	H(CCO)	C(CC[6,6]H)(H)(O)	C(C[6,6]C[3x6]C[6,6])(CHO)(H)	H(CCO)	117.4495	0.033	2	117.4495	0.001	2	117.4495	0.001	2	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:O-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(H)(O)	C(C[6a]C[6a]2)(CHO)(H)	H(CCO)	C(CC[6a]H)(H)(O)	C(C[6a]C[6a]2)(CHO)(H)	H(CCO)	125.4420	0.000	1	125.4420	0.000	1	125.4420	0.000	1	119.4770	6.936	692	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:Br-1:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(Br)(H)	C(CBrH)(CCH)(OC)	H(CBrC)	C(CCO)(Br)(H)	C(CBrH)(CCH)(OC)	H(CBrC)	119.1710	0.000	1	119.1710	0.000	1	119.1710	0.000	1	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:Cl-1:H-1:	N[5a]-3:C-3:N-2:	C-3:	C(CN[5a]N)(Cl)(H)	C(N[5a]C[5a]2)(CClH)(NC)	H(CClC)	C(CN[5a]N)(Cl)(H)	C(N[5a]C[5a]2)(CClH)(NC)	H(CClC)	118.9330	0.236	2	118.9330	0.056	2	118.9330	0.056	2	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:F-1:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(F)(H)	C(C[6a]C[6a]2)(CFH)(OS)	H(CCF)	C(CC[6a]O)(F)(H)	C(C[6a]C[6a]2)(CFH)(OS)	H(CCF)	119.0000	0.000	1	119.0000	0.000	1	119.0000	0.000	1	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:C-3:N-2:	C-3:	C(CCN)(H)2	C(CCH)(CHH)(NC)	H(CCH)	C(CCN)(H)2	C(CCH)(CHH)(NC)	H(CCH)	112.6140	1.319	2	112.6140	1.741	2	112.5310	3.329	4	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:C-3:N-2:	C-3:	C(CCN)(H)2	C(CCN)(CHH)(NO)	H(CCH)	C(CCN)(H)2	C(CCN)(CHH)(NO)	H(CCH)	112.4480	2.867	2	112.4480	8.217	2	112.5310	3.329	4	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(H)2	C(CCC)(CHH)(OC)	H(CCH)	C(CCO)(H)2	C(CCC)(CHH)(OC)	H(CCH)	118.6395	0.544	2	118.6395	0.296	2	116.2955	21.603	22	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(H)2	C(CCC)(CHH)(ONi)	H(CCH)	C(CCO)(H)2	C(CCC)(CHH)(ONi)	H(CCH)	113.7225	8.104	2	113.7225	65.677	2	116.2955	21.603	22	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(H)2	C(CCC)(CHH)(OS)	H(CCH)	C(CCO)(H)2	C(CCC)(CHH)(OS)	H(CCH)	119.9670	0.013	2	119.9670	0.000	2	116.2955	21.603	22	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(H)2	C(CCH)(CHH)(ORu)	H(CCH)	C(CCO)(H)2	C(CCH)(CHH)(ORu)	H(CCH)	112.5046	3.905	8	112.5046	15.248	8	116.2955	21.603	22	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(H)2	C(CC[5a]O)(CHH)(OC)	H(CCH)	C(CCO)(H)2	C(CC[5a]O)(CHH)(OC)	H(CCH)	119.9930	0.020	2	119.9930	0.000	2	116.2955	21.603	22	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(H)2	C(CClC)(CHH)(ONi)	H(CCH)	C(CCO)(H)2	C(CClC)(CHH)(ONi)	H(CCH)	119.0685	0.616	2	119.0685	0.379	2	116.2955	21.603	22	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(H)2	C(CHH)(COO)(OP)	H(CCH)	C(CCO)(H)2	C(CHH)(COO)(OP)	H(CCH)	118.9207	3.836	4	118.9207	14.712	4	116.2955	21.603	22	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:C-3:S-2:	C-3:	C(CCS)(H)2	C(CC[5a]O)(CHH)(SC)	H(CCH)	C(CCS)(H)2	C(CC[5a]O)(CHH)(SC)	H(CCH)	120.0095	0.054	2	120.0095	0.003	2	120.0095	0.003	2	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:C-3:C-2:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2)(CHH)(CC)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2)(CHH)(CC)	H(CCH)	119.9915	0.021	2	119.9915	0.000	2	119.9915	0.000	2	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:C-3:N-2:	C-3:	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(CHH)(NN)	H(CCH)	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(CHH)(NN)	H(CCH)	107.2735	5.597	2	107.2735	31.324	2	107.2735	31.324	2	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(CC)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(CC)	H(CCH)	120.0060	0.000	1	120.0060	0.000	1	120.0060	0.000	1	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CHH)(NC)	H(CCH)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CHH)(NC)	H(CCH)	109.9400	2.710	2	109.9400	7.342	2	109.9400	7.342	2	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OAl)	H(CCH)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OAl)	H(CCH)	120.0290	0.020	2	120.0290	0.000	2	119.9617	2.582	12	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OB)	H(CCH)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OB)	H(CCH)	120.0125	0.008	2	120.0125	0.000	2	119.9617	2.582	12	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OP)	H(CCH)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OP)	H(CCH)	119.8430	1.365	4	119.8430	1.862	4	119.9617	2.582	12	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OZn)	H(CCH)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OZn)	H(CCH)	120.0215	2.753	4	120.0215	7.577	4	119.9617	2.582	12	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:C-3:C-2:	C-3:	C(CCN)(H)2	C(NC[6a]C)(CHH)(CC)	H(CCH)	C(CCN)(H)2	C(NC[6a]C)(CHH)(CC)	H(CCH)	120.0385	0.029	2	120.0385	0.001	2	120.0385	0.001	2	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:O-1:	C-3:C-3:C-2:	C-3:	C(CCC)(H)(O)	C(CCN)(CHO)(CN)	H(CCO)	C(CCC)(H)(O)	C(CCN)(CHO)(CN)	H(CCO)	116.9885	0.272	2	116.9885	0.074	2	117.0100	0.038	3	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:O-1:	C-3:C-3:C-2:	C-3:	C(CCC)(H)(O)	C(CC[6a]H)(CHO)(CN)	H(CCO)	C(CCC)(H)(O)	C(CC[6a]H)(CHO)(CN)	H(CCO)	117.0530	0.000	1	117.0530	0.000	1	117.0100	0.038	3	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:O-1:	C-3:C-3:N-2:	C-3:	C(CCN)(H)(O)	C(CCO)(CHO)(NN)	H(CCO)	C(CCN)(H)(O)	C(CCO)(CHO)(NN)	H(CCO)	118.9040	0.141	2	118.9040	0.020	2	118.5010	0.226	4	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:O-1:	C-3:C-3:N-2:	C-3:	C(CCN)(H)(O)	C(CC[6a]O)(CHO)(NN)	H(CCO)	C(CCN)(H)(O)	C(CC[6a]O)(CHO)(NN)	H(CCO)	118.0980	0.086	2	118.0980	0.007	2	118.5010	0.226	4	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:O-1:	C[5]-3:C-3:C-2:	C-3:	C(CC[5]C)(H)(O)	C(C[5]C[5]N[5])(CHO)(CN)	H(CCO)	C(CC[5]C)(H)(O)	C(C[5]C[5]N[5])(CHO)(CN)	H(CCO)	117.4560	0.000	1	117.4560	0.000	1	117.4560	0.000	1	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:O-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHO)(CN)	H(CCO)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHO)(CN)	H(CCO)	116.6830	0.000	1	116.6830	0.000	1	116.6830	0.000	1	117.0627	18.119	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:Br-1:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(Br)(H)	C(CBrH)(COO)(NCH)	H(CBrC)	C(CCN)(Br)(H)	C(CBrH)(COO)(NCH)	H(CBrC)	118.3730	0.000	1	118.3730	0.000	1	118.3730	0.000	1	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:Br-1:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(Br)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	H(CBrC)	C(CC[6a]N)(Br)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	H(CBrC)	117.1560	0.000	1	117.1560	0.000	1	117.1560	0.000	1	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:Br-1:H-1:	C[6a]-3:N[5]-3:C-3:	C-3:	C(CC[6a]N[5])(Br)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrH)	H(CBrC)	C(CC[6a]N[5])(Br)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrH)	H(CBrC)	118.1445	0.230	2	118.1445	0.053	2	118.1445	0.053	2	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:F-1:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(F)(H)	C(C[6a]C[6a]2)(CFH)(NCH)	H(CCF)	C(CC[6a]N)(F)(H)	C(C[6a]C[6a]2)(CFH)(NCH)	H(CCF)	118.7565	0.320	2	118.7565	0.103	2	118.7565	0.103	2	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6]C)(CCC)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6]C)(CCC)(CHH)	H(CCH)	120.9035	1.363	2	120.9035	1.857	2	120.3010	0.589	6	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]C)(CCO)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]C)(CCO)(CHH)	H(CCH)	119.9998	0.021	4	119.9998	0.000	4	120.3010	0.589	6	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(H)2	C(CHH)(CNO)(NCH)	H(CCH)	C(CCN)(H)2	C(CHH)(CNO)(NCH)	H(CCH)	120.9120	2.414	2	120.9120	5.828	2	120.0657	1.228	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(H)2	C(CHH)(COO)(NCC)	H(CCH)	C(CCN)(H)2	C(CHH)(COO)(NCC)	H(CCH)	119.9960	0.018	2	119.9960	0.000	2	120.0657	1.228	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(H)2	C(CHH)(COO)(NCH)	H(CCH)	C(CCN)(H)2	C(CHH)(COO)(NCH)	H(CCH)	120.0015	0.078	2	120.0015	0.006	2	120.0657	1.228	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(H)2	C(CHH)(COO)(NHS)	H(CCH)	C(CCN)(H)2	C(CHH)(COO)(NHS)	H(CCH)	119.3535	0.547	2	119.3535	0.299	2	120.0657	1.228	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	C-3:	C(CNN)(H)2	C(CHH)(NHH)2	H(CCH)	C(CNN)(H)2	C(CHH)(NHH)2	H(CCH)	115.8690	0.000	1	115.8690	0.000	1	115.8690	0.000	1	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5]-3:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5])(CC[6]H)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5])(CC[6]H)(CHH)	H(CCH)	120.1015	1.290	2	120.1015	1.665	2	120.1015	1.665	2	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CHH)	H(CCH)	119.9820	0.068	4	119.9820	0.005	4	119.9820	0.005	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(H)2	C(C[5a]C[5a,6a]C[5a])(CHH)(CNO)	H(CCH)	C(CC[5a]C)(H)2	C(C[5a]C[5a,6a]C[5a])(CHH)(CNO)	H(CCH)	119.9797	0.044	4	119.9797	0.002	4	119.9797	0.002	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5a]-3:C[5a]-3:C-3:	C-3:	C(CC[5a]2)(H)2	C(C[5a]C[5a]N[5a])2(CHH)	H(CCH)	C(CC[5a]2)(H)2	C(C[5a]C[5a]N[5a])2(CHH)	H(CCH)	120.2525	1.611	4	120.2525	2.595	4	120.2525	2.595	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(CHH)	H(CCH)	120.0175	0.063	2	120.0175	0.004	2	120.2463	1.069	29	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHH)	H(CCH)	120.5890	1.079	6	120.5890	1.164	6	120.2463	1.069	29	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHH)	H(CCH)	119.6931	1.353	8	119.6931	1.830	8	120.2463	1.069	29	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	H(CCH)	120.4638	0.787	13	120.4638	0.620	13	120.2463	1.069	29	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:C-3:	C-3:	C(CC[5a]N)(H)2	C(C[5a]C[5a]2)(NC[6a]C)(CHH)	H(CCH)	C(CC[5a]N)(H)2	C(C[5a]C[5a]2)(NC[6a]C)(CHH)	H(CCH)	119.9570	0.113	2	119.9570	0.013	2	119.9682	0.004	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:C-3:	C-3:	C(CC[5a]N)(H)2	C(C[5a]C[5a]O[5a])(NC[6a]C)(CHH)	H(CCH)	C(CC[5a]N)(H)2	C(C[5a]C[5a]O[5a])(NC[6a]C)(CHH)	H(CCH)	119.9795	0.006	2	119.9795	0.000	2	119.9682	0.004	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:C-3:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2)(CCC)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2)(CCC)(CHH)	H(CCH)	121.8305	0.528	2	121.8305	0.279	2	121.8011	0.271	10	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:C-3:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2)(CC[6]C)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2)(CC[6]C)(CHH)	H(CCH)	121.7938	0.555	8	121.7938	0.308	8	121.8011	0.271	10	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:C-3:	C-3:	C(CC[6]N)(H)2	C(C[6]C[6]2)(NTeC)(CHH)	H(CCH)	C(CC[6]N)(H)2	C(C[6]C[6]2)(NTeC)(CHH)	H(CCH)	114.6110	16.715	4	114.6110	279.392	4	117.8256	69.819	21	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:C-3:	C-3:	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6]Al)(CHH)	H(CCH)	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6]Al)(CHH)	H(CCH)	119.9765	0.006	2	119.9765	0.000	2	117.8256	69.819	21	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:C-3:	C-3:	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6]Sn)(CHH)	H(CCH)	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6]Sn)(CHH)	H(CCH)	119.9845	0.011	2	119.9845	0.000	2	117.8256	69.819	21	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:C-3:	C-3:	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6a]Al)(CHH)	H(CCH)	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6a]Al)(CHH)	H(CCH)	120.0225	0.006	2	120.0225	0.000	2	117.8256	69.819	21	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:C-3:	C-3:	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6a]Co)(CHH)	H(CCH)	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6a]Co)(CHH)	H(CCH)	120.0200	0.057	2	120.0200	0.003	2	117.8256	69.819	21	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:C-3:	C-3:	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6a]Mg)(CHH)	H(CCH)	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6a]Mg)(CHH)	H(CCH)	119.9950	0.044	3	119.9950	0.002	3	117.8256	69.819	21	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:C-3:	C-3:	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6a]Zn)(CHH)	H(CCH)	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6a]Zn)(CHH)	H(CCH)	120.0055	0.021	2	120.0055	0.000	2	117.8256	69.819	21	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:C-3:	C-3:	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NMnC)(CHH)	H(CCH)	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NMnC)(CHH)	H(CCH)	119.9875	0.043	2	119.9875	0.002	2	117.8256	69.819	21	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:C-3:	C-3:	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NPdN)(CHH)	H(CCH)	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NPdN)(CHH)	H(CCH)	107.9584	15.853	2	107.9584	251.310	2	117.8256	69.819	21	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CHH)	H(CCH)	119.9620	0.031	2	119.9620	0.001	2	119.9657	0.046	27	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(CHH)	H(CCH)	120.0045	0.030	4	120.0045	0.001	4	119.9657	0.046	27	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCH)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCH)(CHH)	H(CCH)	120.0093	0.015	4	120.0093	0.000	4	119.9657	0.046	27	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCP)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCP)(CHH)	H(CCH)	119.5330	0.867	2	119.5330	0.752	2	119.9657	0.046	27	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[5]C)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[5]C)(CHH)	H(CCH)	119.9900	0.129	2	119.9900	0.017	2	119.9657	0.046	27	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	H(CCH)	120.0150	0.006	2	120.0150	0.000	2	119.9657	0.046	27	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(CNO)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(CNO)	H(CCH)	120.0042	0.029	10	120.0042	0.001	10	119.9657	0.046	27	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(COO)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(COO)	H(CCH)	119.9770	0.000	1	119.9770	0.000	1	119.9657	0.046	27	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(H)2	C(C[6a]C[6a,6a]C[6a])(CHH)(NCH)	H(CCH)	C(CC[6a]N)(H)2	C(C[6a]C[6a,6a]C[6a])(CHH)(NCH)	H(CCH)	121.4875	4.552	2	121.4875	20.717	2	120.7473	7.637	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CHH)(NCC)	H(CCH)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CHH)(NCC)	H(CCH)	120.0070	0.044	2	120.0070	0.002	2	120.7473	7.637	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:S-3:	C-3:	C(CC[6a]S)(H)2	C(C[6a]C[6a]2)(CHH)(SCO)	H(CCH)	C(CC[6a]S)(H)2	C(C[6a]C[6a]2)(CHH)(SCO)	H(CCH)	120.1516	1.799	8	120.1516	3.238	8	120.1516	3.238	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C[5]-3:C-3:	C-3:	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CHH)	H(CCH)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CHH)	H(CCH)	119.9900	0.014	2	119.9900	0.000	2	119.9900	0.000	2	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(H)2	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[6a]2)(H)2	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHH)	H(CCH)	120.2905	1.749	2	120.2905	3.058	2	120.0850	0.560	41	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CHH)	H(CCH)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CHH)	H(CCH)	120.0235	0.026	2	120.0235	0.001	2	120.0850	0.560	41	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	H(CCH)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	H(CCH)	120.0772	0.731	37	120.0772	0.535	37	120.0850	0.560	41	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[5a]H)(CHH)	H(CCH)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[5a]H)(CHH)	H(CCH)	120.0185	0.070	2	120.0185	0.005	2	120.0597	0.143	15	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	H(CCH)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	H(CCH)	120.0947	0.496	9	120.0947	0.246	9	120.0597	0.143	15	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]Mg)(CHH)	H(CCH)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]Mg)(CHH)	H(CCH)	119.9835	0.029	2	119.9835	0.001	2	120.0597	0.143	15	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NNaC)(CHH)	H(CCH)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NNaC)(CHH)	H(CCH)	120.0200	0.021	2	120.0200	0.000	2	120.0597	0.143	15	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N[5]-3:C-3:	C-3:	C(CC[6a]N[5])(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHH)	H(CCH)	C(CC[6a]N[5])(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHH)	H(CCH)	120.0305	0.022	2	120.0305	0.000	2	120.0305	0.000	2	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N[6]-3:C-3:	C-3:	C(CC[6a]N[6])(H)2	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	H(CCH)	C(CC[6a]N[6])(H)2	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	H(CCH)	120.0105	0.039	2	120.0105	0.002	2	120.0105	0.002	2	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:O-3:C-3:	C-3:	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OLiB)(CHH)	H(CCH)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OLiB)(CHH)	H(CCH)	119.9880	0.011	2	119.9880	0.000	2	119.9940	0.000	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:O-3:C-3:	C-3:	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OZn2)(CHH)	H(CCH)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OZn2)(CHH)	H(CCH)	120.0000	0.017	2	120.0000	0.000	2	119.9940	0.000	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	Ge[6]-3:C-3:C-3:	C-3:	C(CGe[6]C)(H)2	C(Ge[6]N[6]2)(CHH)(COO)	H(CCH)	C(CGe[6]C)(H)2	C(Ge[6]N[6]2)(CHH)(COO)	H(CCH)	120.0410	0.023	2	120.0410	0.001	2	120.0410	0.001	2	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:C-3:C-3:	C-3:	C(CCN)(H)2	C(NC[6a]Al)(CCH)(CHH)	H(CCH)	C(CCN)(H)2	C(NC[6a]Al)(CCH)(CHH)	H(CCH)	118.7563	1.942	6	118.7563	3.770	6	119.0635	3.017	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:C-3:C-3:	C-3:	C(CCN)(H)2	C(NC[6a]Al)(CCN)(CHH)	H(CCH)	C(CCN)(H)2	C(NC[6a]Al)(CCN)(CHH)	H(CCH)	119.9850	0.025	2	119.9850	0.001	2	119.0635	3.017	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:C-3:	C-3:	C(CNN)(H)2	C(NC[6a]Al)(NC[6a]C)(CHH)	H(CCH)	C(CNN)(H)2	C(NC[6a]Al)(NC[6a]C)(CHH)	H(CCH)	120.0345	0.103	2	120.0345	0.011	2	120.0345	0.011	2	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N[5]-3:C-3:C-3:	C-3:	C(CN[5]C)(H)2	C(N[5]C[5]2)(CHH)(COO)	H(CCH)	C(CN[5]C)(H)2	C(N[5]C[5]2)(CHH)(COO)	H(CCH)	120.2069	0.608	8	120.2069	0.370	8	120.2069	0.370	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N[5]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5])(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[6a]N[5])(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHH)	H(CCH)	120.1440	1.947	4	120.1440	3.791	4	120.1440	3.791	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5a])(H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[6a]N[5a])(H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	H(CCH)	120.0090	0.058	2	120.0090	0.003	2	120.0090	0.003	2	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:I-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)(I)	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	H(CCI)	C(CC[6a]C)(H)(I)	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	H(CCI)	117.2990	0.076	2	117.2990	0.006	2	117.2990	0.006	2	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(H)(I)	C(C[6a]C[6a]2)2(CHI)	H(CCI)	C(CC[6a]2)(H)(I)	C(C[6a]C[6a]2)2(CHI)	H(CCI)	117.4200	0.000	1	117.4200	0.000	1	117.4200	0.000	1	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:I-1:	C[6a]-3:N[5a]-3:C-3:	C-3:	C(CC[6a]N[5a])(H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CHI)	H(CCI)	C(CC[6a]N[5a])(H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CHI)	H(CCI)	118.6420	0.000	1	118.6420	0.000	1	118.6420	0.000	1	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C-3:C-3:C-3:	C-3:	C(CCC)(H)(O)	C(CC[5a]C[6a])(CC[6a]O)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CC[5a]C[6a])(CC[6a]O)(CHO)	H(CCO)	118.2830	0.000	1	118.2830	0.000	1	117.7248	0.782	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C-3:C-3:C-3:	C-3:	C(CCC)(H)(O)	C(CC[5a]H)(CCC)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CC[5a]H)(CCC)(CHO)	H(CCO)	118.0405	0.647	2	118.0405	0.419	2	117.7248	0.782	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C-3:C-3:C-3:	C-3:	C(CCC)(H)(O)	C(CC[6a]H)(CCH)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CC[6a]H)(CCH)(CHO)	H(CCO)	116.5350	0.000	1	116.5350	0.000	1	117.7248	0.782	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C-3:C-3:N-3:	C-3:	C(CCN)(H)(O)	C(CCH)(CHO)(NOO)	H(CCO)	C(CCN)(H)(O)	C(CCH)(CHO)(NOO)	H(CCO)	117.8860	0.000	1	117.8860	0.000	1	116.7637	2.963	3	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C-3:C-3:N-3:	C-3:	C(CCN)(H)(O)	C(CC[6a]C)(CHO)(NSS)	H(CCO)	C(CCN)(H)(O)	C(CC[6a]C)(CHO)(NSS)	H(CCO)	117.6230	0.000	1	117.6230	0.000	1	116.7637	2.963	3	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C-3:C-3:N-3:	C-3:	C(CCN)(H)(O)	C(CHO)2(NCH)	H(CCO)	C(CCN)(H)(O)	C(CHO)2(NCH)	H(CCO)	114.7820	0.000	1	114.7820	0.000	1	116.7637	2.963	3	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C[5]-3:C-3:C-3:	C-3:	C(CC[5]C)(H)(O)	C(C[5]C[5,6a]C[5])(CCO)(CHO)	H(CCO)	C(CC[5]C)(H)(O)	C(C[5]C[5,6a]C[5])(CCO)(CHO)	H(CCO)	118.8790	0.000	1	118.8790	0.000	1	116.9206	1.287	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C[5]-3:C-3:C-3:	C-3:	C(CC[5]C)(H)(O)	C(C[5]C[5]N[5])(CC[6]H)(CHO)	H(CCO)	C(CC[5]C)(H)(O)	C(C[5]C[5]N[5])(CC[6]H)(CHO)	H(CCO)	117.0830	0.000	1	117.0830	0.000	1	116.9206	1.287	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C[5]-3:C-3:C-3:	C-3:	C(CC[5]C)(H)(O)	C(C[5]C[5]N[5])(CHO)2	H(CCO)	C(CC[5]C)(H)(O)	C(C[5]C[5]N[5])(CHO)2	H(CCO)	116.4895	1.192	4	116.4895	1.420	4	116.9206	1.287	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C[5]-3:C-3:C-3:	C-3:	C(CC[5]C)(H)(O)	C(C[5]N[5]S[5])(CHO)2	H(CCO)	C(CC[5]C)(H)(O)	C(C[5]N[5]S[5])(CHO)2	H(CCO)	116.7225	0.252	2	116.7225	0.064	2	116.9206	1.287	8	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C[6]-3:C-3:C-3:	C-3:	C(CC[6]C)(H)(O)	C(C[6]C[6]2)(CHO)2	H(CCO)	C(CC[6]C)(H)(O)	C(C[6]C[6]2)(CHO)2	H(CCO)	110.8800	0.233	2	110.8800	0.054	2	113.9622	12.697	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C[6]-3:C-3:C-3:	C-3:	C(CC[6]C)(H)(O)	C(C[6]N[6]O[6])(CHO)2	H(CCO)	C(CC[6]C)(H)(O)	C(C[6]N[6]O[6])(CHO)2	H(CCO)	117.0445	0.190	2	117.0445	0.036	2	113.9622	12.697	4	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	H(CCO)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	H(CCO)	116.6848	1.519	5	116.6848	2.306	5	116.1905	2.071	13	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	H(CCO)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	H(CCO)	115.9780	0.778	2	115.9780	0.605	2	116.1905	2.071	13	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHN)(CHO)	H(CCO)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHN)(CHO)	H(CCO)	116.8217	0.504	3	116.8217	0.254	3	116.1905	2.071	13	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHO)2	H(CCO)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHO)2	H(CCO)	115.9405	0.223	2	115.9405	0.050	2	116.1905	2.071	13	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:O-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]N[6a])(CHN)(CHO)	H(CCO)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]N[6a])(CHN)(CHO)	H(CCO)	112.7500	0.000	1	112.7500	0.000	1	116.1905	2.071	13	119.4139	8.351	266	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:3:4:	3:	C-3:Br-1:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(CC[6a]C)(Br)(H)	C(C[6a]C[6a]O[6a])(CBrH)(CH3)	H(CBrC)	C(CC[6a]C)(Br)(H)	C(C[6a]C[6a]O[6a])(CBrH)(CH3)	H(CBrC)	118.4160	0.222	2	118.4160	0.049	2	118.4160	0.049	2	118.4160	0.049	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:Br-1:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(Br)(H)	C(CBrH)(CH3)(CHN)	H(CBrC)	C(CCC)(Br)(H)	C(CBrH)(CH3)(CHN)	H(CBrC)	118.1000	0.000	1	118.1000	0.000	1	118.1000	0.000	1	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:Cl-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(Cl)(H)	C(C[6a]C[6a]2)(CCHH)(CClH)	H(CClC)	C(CC[6a]C)(Cl)(H)	C(C[6a]C[6a]2)(CCHH)(CClH)	H(CClC)	117.2730	0.000	1	117.2730	0.000	1	117.2730	0.000	1	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:F-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(F)(H)	C(C[6a]C[6a]2)(CN[6]HH)(CFH)	H(CCF)	C(CC[6a]C)(F)(H)	C(C[6a]C[6a]2)(CN[6]HH)(CFH)	H(CCF)	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	B[5]-3:C-4:C-3:	C-3:	C(CB[5]C)(H)2	C(B[5]O[5]2)(CC[6a]CC)(CHH)	H(CCH)	C(CB[5]C)(H)2	C(B[5]O[5]2)(CC[6a]CC)(CHH)	H(CCH)	120.0155	0.016	2	120.0155	0.000	2	119.9968	0.001	4	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	B[5]-3:C-4:C-3:	C-3:	C(CB[5]C)(H)2	C(B[5]O[5]2)(CHHS)(CHH)	H(CCH)	C(CB[5]C)(H)2	C(B[5]O[5]2)(CHHS)(CHH)	H(CCH)	119.9780	0.020	2	119.9780	0.000	2	119.9968	0.001	4	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5]H)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5]H)(CH3)(CHH)	H(CCH)	122.2855	0.554	2	122.2855	0.307	2	120.4971	1.261	24	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6,6]H)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6,6]H)(CH3)(CHH)	H(CCH)	123.2140	1.385	2	123.2140	1.917	2	120.4971	1.261	24	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]C)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]C)(CH3)(CHH)	H(CCH)	119.9850	0.021	2	119.9850	0.000	2	120.4971	1.261	24	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]O)(CCHH)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]O)(CCHH)(CHH)	H(CCH)	120.0000	0.100	4	120.0000	0.010	4	120.4971	1.261	24	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]O)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]O)(CH3)(CHH)	H(CCH)	119.9905	0.006	2	119.9905	0.000	2	120.4971	1.261	24	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCuC)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CCuC)(CH3)(CHH)	H(CCH)	120.4395	1.070	2	120.4395	1.145	2	120.4971	1.261	24	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(H)2	C(CN[5a]O)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CN[5a]O)(CH3)(CHH)	H(CCH)	120.0200	0.028	2	120.0200	0.001	2	120.4971	1.261	24	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(H)2	C(CN[6]O)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CN[6]O)(CH3)(CHH)	H(CCH)	119.9870	0.093	2	119.9870	0.009	2	120.4971	1.261	24	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(H)2	C(CZrC)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CZrC)(CH3)(CHH)	H(CCH)	120.0145	0.073	6	120.0145	0.005	6	120.4971	1.261	24	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C-3:Si-4:C-3:	C-3:	C(CSiC)(H)2	C(CC[6a]C)(SiC3)(CHH)	H(CCH)	C(CSiC)(H)2	C(CC[6a]C)(SiC3)(CHH)	H(CCH)	119.9923	0.014	3	119.9923	0.000	3	119.9923	0.000	3	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[4]-3:C-4:C-3:	C-3:	C(CC[4]C)(H)2	C(C[4]C[4]2)(CH3)(CHH)	H(CCH)	C(CC[4]C)(H)2	C(C[4]C[4]2)(CH3)(CHH)	H(CCH)	120.0115	0.008	2	120.0115	0.000	2	119.5524	1.800	9	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[4]-3:C-4:C-3:	C-3:	C(CC[4]C)(H)2	C(C[4]C[4]P[4])(CH3)(CHH)	H(CCH)	C(CC[4]C)(H)2	C(C[4]C[4]P[4])(CH3)(CHH)	H(CCH)	119.4213	1.520	7	119.4213	2.310	7	119.5524	1.800	9	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5])(CCHH)(CHH)	H(CCH)	119.9890	0.048	7	119.9890	0.002	7	120.0765	0.775	19	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2)(CCCO)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2)(CCCO)(CHH)	H(CCH)	121.6060	0.098	2	121.6060	0.010	2	120.0765	0.775	19	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2)(CH3)(CHH)	H(CCH)	119.7989	0.845	8	119.7989	0.714	8	120.0765	0.775	19	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]N[5])(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]N[5])(CH3)(CHH)	H(CCH)	119.9635	1.884	2	119.9635	3.551	2	120.0765	0.775	19	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(H)2	C(C[5a]C[5a,5a]N[5a])(CH3)(CHH)	H(CCH)	C(CC[5a]C)(H)2	C(C[5a]C[5a,5a]N[5a])(CH3)(CHH)	H(CCH)	119.9917	0.017	3	119.9917	0.000	3	120.1041	0.641	11	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(H)2	C(C[5a]C[5a,6a]C[5a])(CH3)(CHH)	H(CCH)	C(CC[5a]C)(H)2	C(C[5a]C[5a,6a]C[5a])(CH3)(CHH)	H(CCH)	120.0105	0.012	2	120.0105	0.000	2	120.1041	0.641	11	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(H)2	C(C[5a]C[5a]N[5a])(CH3)(CHH)	H(CCH)	C(CC[5a]C)(H)2	C(C[5a]C[5a]N[5a])(CH3)(CHH)	H(CCH)	120.5825	2.415	2	120.5825	5.831	2	120.1041	0.641	11	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(CHH)	H(CCH)	C(CC[5a]C)(H)2	C(C[5a]C[5a]N[5a])(CHHO)(CHH)	H(CCH)	119.9900	0.134	2	119.9900	0.018	2	120.1041	0.641	11	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(H)2	C(C[5a]N[5a]O[5a])(CC[6a]HO)(CHH)	H(CCH)	C(CC[5a]C)(H)2	C(C[5a]N[5a]O[5a])(CC[6a]HO)(CHH)	H(CCH)	120.0020	0.004	2	120.0020	0.000	2	120.1041	0.641	11	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5a]-3:C[5]-4:C-3:	C-3:	C(CC[5a]C[5])(H)2	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CHH)	H(CCH)	C(CC[5a]C[5])(H)2	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CHH)	H(CCH)	119.9950	0.034	2	119.9950	0.001	2	119.9950	0.001	2	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5a]-3:C[6]-4:C-3:	C-3:	C(CC[5a]C[6])(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6]H)(CHH)	H(CCH)	C(CC[5a]C[6])(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6]H)(CHH)	H(CCH)	119.9855	0.015	2	119.9855	0.000	2	119.9855	0.000	2	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6])(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6])(CH3)(CHH)	H(CCH)	119.9690	0.345	2	119.9690	0.119	2	120.0316	0.047	26	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2)(CCHH)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2)(CCHH)(CHH)	H(CCH)	120.0018	0.020	4	120.0018	0.000	4	120.0316	0.047	26	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2)(CC[5a]HH)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2)(CC[5a]HH)(CHH)	H(CCH)	119.9565	0.057	2	119.9565	0.003	2	120.0316	0.047	26	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2)(CH3)(CHH)	H(CCH)	120.0014	0.029	10	120.0014	0.001	10	120.0316	0.047	26	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2)(CN[5]HH)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2)(CN[5]HH)(CHH)	H(CCH)	119.9880	0.016	2	119.9880	0.000	2	120.0316	0.047	26	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2)(CN[5a]HH)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2)(CN[5a]HH)(CHH)	H(CCH)	119.9960	0.038	2	119.9960	0.001	2	120.0316	0.047	26	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]P[6])(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]P[6])(CH3)(CHH)	H(CCH)	120.5090	0.733	2	120.5090	0.537	2	120.0316	0.047	26	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]S[6])(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]S[6])(CH3)(CHH)	H(CCH)	119.9820	0.040	2	119.9820	0.002	2	120.0316	0.047	26	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6]-3:N-4:C-3:	C-3:	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6]SiSn)(CHH)	H(CCH)	C(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[6]SiSn)(CHH)	H(CCH)	119.9805	0.052	2	119.9805	0.003	2	119.9805	0.003	2	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(CHH)	H(CCH)	120.0540	0.049	2	120.0540	0.002	2	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	H(CCH)	119.9928	0.016	4	119.9928	0.000	4	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCCH)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCCH)(CHH)	H(CCH)	121.4520	0.648	4	121.4520	0.420	4	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCCN)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCCN)(CHH)	H(CCH)	119.9856	0.022	5	119.9856	0.000	5	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCFH)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCFH)(CHH)	H(CCH)	119.9895	0.029	2	119.9895	0.001	2	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CHH)	H(CCH)	120.5655	1.016	22	120.5655	1.033	22	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHN)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHN)(CHH)	H(CCH)	120.0048	0.013	4	120.0048	0.000	4	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CHH)	H(CCH)	119.9937	0.041	3	119.9937	0.002	3	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CHH)	H(CCH)	120.0090	0.007	2	120.0090	0.000	2	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CHH)	H(CCH)	120.0050	0.054	2	120.0050	0.003	2	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CHH)	H(CCH)	119.9820	0.004	2	119.9820	0.000	2	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHH)	H(CCH)	120.0147	0.044	4	120.0147	0.002	4	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCo2C)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCo2C)(CHH)	H(CCH)	119.9940	0.015	3	119.9940	0.000	3	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CH3)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CH3)(CHH)	H(CCH)	119.7271	0.747	11	119.7271	0.558	11	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHN)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHN)(CHH)	H(CCH)	120.0480	0.997	2	120.0480	0.994	2	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHO)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHO)(CHH)	H(CCH)	119.9987	0.030	3	119.9987	0.001	3	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHS)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHS)(CHH)	H(CCH)	119.9942	0.038	6	119.9942	0.001	6	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHH)	H(CCH)	120.0005	0.032	2	120.0005	0.001	2	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]N[6a])(CH3)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]N[6a])(CH3)(CHH)	H(CCH)	120.0225	0.035	2	120.0225	0.001	2	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]O[6a])(CH3)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]O[6a])(CH3)(CHH)	H(CCH)	120.0230	0.020	2	120.0230	0.000	2	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(H)2	C(C[6a]C[6a]S[6a])(CH3)(CHH)	H(CCH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]S[6a])(CH3)(CHH)	H(CCH)	120.0125	0.084	2	120.0125	0.007	2	120.1735	0.491	89	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C[5]-4:C-3:	C-3:	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	H(CCH)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	H(CCH)	120.0035	0.030	4	120.0035	0.001	4	120.7667	2.164	15	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C[5]-4:C-3:	C-3:	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	H(CCH)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	H(CCH)	121.0442	1.647	11	121.0442	2.712	11	120.7667	2.164	15	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C-3:	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	H(CCH)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	H(CCH)	120.0201	0.052	8	120.0201	0.003	8	120.3387	0.949	18	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C-3:	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHH)	H(CCH)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHH)	H(CCH)	120.0100	0.055	4	120.0100	0.003	4	120.3387	0.949	18	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C-3:	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	H(CCH)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	H(CCH)	120.9825	1.574	6	120.9825	2.476	6	120.3387	0.949	18	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(CC[6a]P)(H)2	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	H(CCH)	C(CC[6a]P)(H)2	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	H(CCH)	119.9573	0.494	6	119.9573	0.244	6	119.9573	0.244	6	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:S-4:C-3:	C-3:	C(CC[6a]S)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CHH)	H(CCH)	C(CC[6a]S)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CHH)	H(CCH)	120.0020	0.023	2	120.0020	0.001	2	120.0020	0.001	2	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:Si-4:C-3:	C-3:	C(CC[6a]Si)(H)2	C(C[6a]C[6a]2)(SiC3)(CHH)	H(CCH)	C(CC[6a]Si)(H)2	C(C[6a]C[6a]2)(SiC3)(CHH)	H(CCH)	120.5175	3.082	4	120.5175	9.496	4	120.9472	6.146	6	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:Si-4:C-3:	C-3:	C(CC[6a]Si)(H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CHH)	H(CCH)	C(CC[6a]Si)(H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CHH)	H(CCH)	121.8065	0.152	2	121.8065	0.023	2	120.9472	6.146	6	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(H)2	C(NC[6a]C)(CH3)(CHH)	H(CCH)	C(CCN)(H)2	C(NC[6a]C)(CH3)(CHH)	H(CCH)	120.0100	0.059	2	120.0100	0.004	2	114.4711	49.952	8	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(H)2	C(NC[6a]S)(CHHN)(CHH)	H(CCH)	C(CCN)(H)2	C(NC[6a]S)(CHHN)(CHH)	H(CCH)	114.2105	6.590	2	114.2105	43.422	2	114.4711	49.952	8	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(H)2	C(NPtO)(CH3)(CHH)	H(CCH)	C(CCN)(H)2	C(NPtO)(CH3)(CHH)	H(CCH)	111.8320	8.503	4	111.8320	72.295	4	114.4711	49.952	8	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N[5a]-3:C-4:C-3:	C-3:	C(CN[5a]C)(H)2	C(N[5a]C[5a,6]N[5a])(CHHO)(CHH)	H(CCH)	C(CN[5a]C)(H)2	C(N[5a]C[5a,6]N[5a])(CHHO)(CHH)	H(CCH)	119.9780	0.010	2	119.9780	0.000	2	120.1806	1.479	18	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N[5a]-3:C-4:C-3:	C-3:	C(CN[5a]C)(H)2	C(N[5a]C[5a,6a]C[5a])(CH3)(CHH)	H(CCH)	C(CN[5a]C)(H)2	C(N[5a]C[5a,6a]C[5a])(CH3)(CHH)	H(CCH)	120.6132	0.748	6	120.6132	0.559	6	120.1806	1.479	18	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N[5a]-3:C-4:C-3:	C-3:	C(CN[5a]C)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CHH)	H(CCH)	C(CN[5a]C)(H)2	C(N[5a]C[5a]N[5a])(CBrHH)(CHH)	H(CCH)	119.9870	0.017	2	119.9870	0.000	2	120.1806	1.479	18	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N[5a]-3:C-4:C-3:	C-3:	C(CN[5a]C)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CHH)	H(CCH)	C(CN[5a]C)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(CHH)	H(CCH)	120.3505	4.320	2	120.3505	18.660	2	120.1806	1.479	18	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N[5a]-3:C-4:C-3:	C-3:	C(CN[5a]C)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(CHH)	H(CCH)	C(CN[5a]C)(H)2	C(N[5a]C[5a]N[5a])(CHHO)(CHH)	H(CCH)	119.9970	0.016	4	119.9970	0.000	4	120.1806	1.479	18	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N[5a]-3:C-4:C-3:	C-3:	C(CN[5a]C)(H)2	C(N[5a]C[5a]N[5a])(CHHS)(CHH)	H(CCH)	C(CN[5a]C)(H)2	C(N[5a]C[5a]N[5a])(CHHS)(CHH)	H(CCH)	119.4760	1.106	2	119.4760	1.223	2	120.1806	1.479	18	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	P-3:C-4:C-3:	C-3:	C(CCP)(H)2	C(PC[6a]2)(CH3)(CHH)	H(CCH)	C(CCP)(H)2	C(PC[6a]2)(CH3)(CHH)	H(CCH)	120.0145	0.110	2	120.0145	0.012	2	120.0145	0.012	2	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	S-3:C-4:C-3:	C-3:	C(CCS)(H)2	C(SC[6a]O)(CC3)(CHH)	H(CCH)	C(CCS)(H)2	C(SC[6a]O)(CC3)(CHH)	H(CCH)	116.4303	5.271	10	116.4303	27.784	10	117.4451	22.008	14	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	S-3:C-4:C-3:	C-3:	C(CCS)(H)2	C(SMnMo)(CHHS)(CHH)	H(CCH)	C(CCS)(H)2	C(SMnMo)(CHHS)(CHH)	H(CCH)	119.9822	0.052	4	119.9822	0.003	4	117.4451	22.008	14	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	S-3:C[5]-4:C-3:	C-3:	C(CC[5]S)(H)2	C(SC[3x3,3x5,12x6]Co)(C[5]C[5]2Fe)(CHH)	H(CCH)	C(CC[5]S)(H)2	C(SC[3x3,3x5,12x6]Co)(C[5]C[5]2Fe)(CHH)	H(CCH)	117.3875	4.351	2	117.3875	18.930	2	117.3875	18.930	2	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:I-1:	C[6a]-3:C[5]-4:C-3:	C-3:	C(CC[6a]C[5])(H)(I)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHI)	H(CCI)	C(CC[6a]C[5])(H)(I)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHI)	H(CCI)	128.0600	0.000	1	128.0600	0.000	1	128.0600	0.000	1	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:O-1:	C-3:C-4:C-3:	C-3:	C(CCC)(H)(O)	C(CC[5a]H)(CCHH)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CC[5a]H)(CCHH)(CHO)	H(CCO)	118.1190	0.000	1	118.1190	0.000	1	118.0565	0.008	2	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:O-1:	C-3:C-4:C-3:	C-3:	C(CCC)(H)(O)	C(CC[6a]H)(CCCH)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CC[6a]H)(CCCH)(CHO)	H(CCO)	117.9940	0.000	1	117.9940	0.000	1	118.0565	0.008	2	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:O-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(H)(O)	C(C[5]C[5,6a]C[5])(CH3)(CHO)	H(CCO)	C(CC[5]C)(H)(O)	C(C[5]C[5,6a]C[5])(CH3)(CHO)	H(CCO)	118.3610	0.000	1	118.3610	0.000	1	118.3610	0.000	1	119.8766	4.608	289	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:2:3:	3:	C-3:H-1:H-1:	C[5]-4:O-2:C-3:	C-3:	C(CC[5]O)(H)2	C(C[5]C[5]2Fe)(OSi[6])(CHH)	H(CCH)	C(CC[5]O)(H)2	C(C[5]C[5]2Fe)(OSi[6])(CHH)	H(CCH)	120.0190	0.014	2	120.0190	0.000	2	120.0190	0.000	2	120.0190	0.000	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:Br-1:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrC)(Br)(H)	C(CN[5]HH)(CBrH)(Br)	H(CBrC)	C(CBrC)(Br)(H)	C(CN[5]HH)(CBrH)(Br)	H(CBrC)	117.4750	0.165	2	117.4750	0.027	2	120.2873	23.741	3	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:Br-1:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrC)(Br)(H)	C(CN[5a]HH)(CBrH)(Br)	H(CBrC)	C(CBrC)(Br)(H)	C(CN[5a]HH)(CBrH)(Br)	H(CBrC)	125.9120	0.000	1	125.9120	0.000	1	120.2873	23.741	3	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:C-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(C)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CCH)(C)(H)	C(CHHN)(CCH)(H)	H(CCC)	104.6800	0.000	1	104.6800	0.000	1	104.6800	0.000	1	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:Cl-1:H-1:	C-4:C-3:Cl-1:	C-3:	C(CClC)(Cl)(H)	C(CC[6a]CN)(CClH)(Cl)	H(CClC)	C(CClC)(Cl)(H)	C(CC[6a]CN)(CClH)(Cl)	H(CClC)	116.8550	0.000	1	116.8550	0.000	1	116.8550	0.000	1	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:Cl-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(Cl)(H)	C(C[6]C[6]2C)(CClH)(H)	H(CClC)	C(CC[6]H)(Cl)(H)	C(C[6]C[6]2C)(CClH)(H)	H(CClC)	119.0250	0.000	1	119.0250	0.000	1	119.0250	0.000	1	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:Cl-1:H-1:	P-4:C-3:Cl-1:	C-3:	C(CClP)(Cl)(H)	C(PC[6a]2O)(CClH)(Cl)	H(CClC)	C(CClP)(Cl)(H)	C(PC[6a]2O)(CClH)(Cl)	H(CClC)	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:F-1:H-1:	Ge-4:C-3:F-1:	C-3:	C(CGeF)(F)(H)	C(GeC[6a]3)(CFH)(F)	H(CCF)	C(CGeF)(F)(H)	C(GeC[6a]3)(CFH)(F)	H(CCF)	135.2010	0.000	1	135.2010	0.000	1	135.2010	0.000	1	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	B[5a]-4:C-3:H-1:	C-3:	C(CB[5a]H)(H)2	C(B[5a]N[5a,6a]2C[5])(CHH)(H)	H(CCH)	C(CB[5a]H)(H)2	C(B[5a]N[5a,6a]2C[5])(CHH)(H)	H(CCH)	120.0150	0.025	2	120.0150	0.001	2	120.0150	0.001	2	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	B[6]-4:C-3:H-1:	C-3:	C(CB[6]H)(H)2	C(B[6]N[5a,6]2C)(CHH)(H)	H(CCH)	C(CB[6]H)(H)2	C(B[6]N[5a,6]2C)(CHH)(H)	H(CCH)	119.9839	0.036	7	119.9839	0.001	7	119.9839	0.001	7	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrC)(H)2	C(CCHH)(CHH)(Br)	H(CCH)	C(CBrC)(H)2	C(CCHH)(CHH)(Br)	H(CCH)	120.0305	0.018	2	120.0305	0.000	2	119.8804	0.881	14	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrC)(H)2	C(CC[3x6]CH)(CHH)(Br)	H(CCH)	C(CBrC)(H)2	C(CC[3x6]CH)(CHH)(Br)	H(CCH)	119.9880	0.049	2	119.9880	0.002	2	119.8804	0.881	14	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrC)(H)2	C(CC[5,5,6]HH)(CHH)(Br)	H(CCH)	C(CBrC)(H)2	C(CC[5,5,6]HH)(CHH)(Br)	H(CCH)	119.9985	0.046	2	119.9985	0.002	2	119.8804	0.881	14	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrC)(H)2	C(CC[6]HH)(CHH)(Br)	H(CCH)	C(CBrC)(H)2	C(CC[6]HH)(CHH)(Br)	H(CCH)	119.9525	0.052	2	119.9525	0.003	2	119.8804	0.881	14	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrC)(H)2	C(CC[6a]CC)(CHH)(Br)	H(CCH)	C(CBrC)(H)2	C(CC[6a]CC)(CHH)(Br)	H(CCH)	120.0195	0.032	2	120.0195	0.001	2	119.8804	0.881	14	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrC)(H)2	C(CC[6a]CH)(CHH)(Br)	H(CCH)	C(CBrC)(H)2	C(CC[6a]CH)(CHH)(Br)	H(CCH)	119.4655	3.217	2	119.4655	10.347	2	119.8804	0.881	14	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrC)(H)2	C(CC[6a]HH)(CHH)(Br)	H(CCH)	C(CBrC)(H)2	C(CC[6a]HH)(CHH)(Br)	H(CCH)	119.7085	0.738	2	119.7085	0.544	2	119.8804	0.881	14	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:Cl-1:	C-3:	C(CClC)(H)2	C(CC[3x5,6]HH)(CHH)(Cl)	H(CCH)	C(CClC)(H)2	C(CC[3x5,6]HH)(CHH)(Cl)	H(CCH)	119.9990	0.014	2	119.9990	0.000	2	119.7465	0.807	6	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:Cl-1:	C-3:	C(CClC)(H)2	C(CC[6]HH)(CHH)(Cl)	H(CCH)	C(CClC)(H)2	C(CC[6]HH)(CHH)(Cl)	H(CCH)	120.0185	0.036	2	120.0185	0.001	2	119.7465	0.807	6	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:Cl-1:	C-3:	C(CClC)(H)2	C(CN[5]HN)(CHH)(Cl)	H(CCH)	C(CClC)(H)2	C(CN[5]HN)(CHH)(Cl)	H(CCH)	119.2220	1.790	2	119.2220	3.206	2	119.7465	0.807	6	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:F-1:	C-3:	C(CCF)(H)2	C(CCHH)(CHH)(F)	H(CCH)	C(CCF)(H)2	C(CCHH)(CHH)(F)	H(CCH)	119.9970	0.034	2	119.9970	0.001	2	120.0127	0.002	9	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:F-1:	C-3:	C(CCF)(H)2	C(CC[6a]CH)(CHH)(F)	H(CCH)	C(CCF)(H)2	C(CC[6a]CH)(CHH)(F)	H(CCH)	120.0171	0.046	7	120.0171	0.002	7	120.0127	0.002	9	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CBHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CBHH)(CHH)(H)	H(CCH)	120.2995	1.046	16	120.2995	1.095	16	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CB[5,5]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CB[5,5]HH)(CHH)(H)	H(CCH)	120.0160	0.052	2	120.0160	0.003	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CB[5]CH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CB[5]CH)(CHH)(H)	H(CCH)	119.9915	0.025	2	119.9915	0.001	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC3)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC3)(CHH)(H)	H(CCH)	120.2495	1.523	59	120.2495	2.320	59	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCCH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCCH)(CHH)(H)	H(CCH)	120.1948	1.601	115	120.1948	2.563	115	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCCO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCCO)(CHH)(H)	H(CCH)	119.9332	0.250	22	119.9332	0.063	22	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCFH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCFH)(CHH)(H)	H(CCH)	120.0105	0.053	2	120.0105	0.003	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCHH)(CHH)(H)	H(CCH)	120.0998	2.034	426	120.0998	4.139	426	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCHN)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCHN)(CHH)(H)	H(CCH)	119.9917	0.245	28	119.9917	0.060	28	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCHO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCHO)(CHH)(H)	H(CCH)	120.1821	0.794	28	120.1821	0.630	28	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCHS)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCHS)(CHH)(H)	H(CCH)	120.1320	3.534	6	120.1320	12.489	6	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCHW)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCHW)(CHH)(H)	H(CCH)	121.5220	1.320	4	121.5220	1.742	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[3,5,5]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[3,5,5]HH)(CHH)(H)	H(CCH)	120.0312	0.025	4	120.0312	0.001	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[3]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[3]HH)(CHH)(H)	H(CCH)	119.9925	0.047	2	119.9925	0.002	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[3]HN)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[3]HN)(CHH)(H)	H(CCH)	120.0080	0.044	3	120.0080	0.002	3	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[3x6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[3x6]HH)(CHH)(H)	H(CCH)	119.9980	0.014	2	119.9980	0.000	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[4,5,6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[4,5,6]HH)(CHH)(H)	H(CCH)	120.0050	0.024	2	120.0050	0.001	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[4,5]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[4,5]HH)(CHH)(H)	H(CCH)	119.9930	0.047	2	119.9930	0.002	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[4,5]HO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[4,5]HO)(CHH)(H)	H(CCH)	120.0340	0.013	2	120.0340	0.000	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[4,6,6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[4,6,6]HH)(CHH)(H)	H(CCH)	119.9988	0.027	4	119.9988	0.001	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[4]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[4]HH)(CHH)(H)	H(CCH)	119.9766	0.031	5	119.9766	0.001	5	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5,5,6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5,5,6]HH)(CHH)(H)	H(CCH)	119.9888	0.059	20	119.9888	0.004	20	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5,5]CC)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5,5]CC)(CHH)(H)	H(CCH)	120.0103	0.051	6	120.0103	0.003	6	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5,5]C[6a]H)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5,5]C[6a]H)(CHH)(H)	H(CCH)	120.0160	0.069	2	120.0160	0.005	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5,5]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5,5]HH)(CHH)(H)	H(CCH)	120.1940	0.688	13	120.1940	0.474	13	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5,6,6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5,6,6]HH)(CHH)(H)	H(CCH)	120.0192	0.070	4	120.0192	0.005	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5,6]CC)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5,6]CC)(CHH)(H)	H(CCH)	120.0345	0.036	2	120.0345	0.001	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5,6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5,6]HH)(CHH)(H)	H(CCH)	120.2095	0.861	45	120.2095	0.742	45	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5,6]HO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5,6]HO)(CHH)(H)	H(CCH)	119.9822	0.048	4	119.9822	0.002	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5]CC)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5]CC)(CHH)(H)	H(CCH)	120.0115	0.055	6	120.0115	0.003	6	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5]CH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5]CH)(CHH)(H)	H(CCH)	119.8778	1.491	64	119.8778	2.222	64	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5]CO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5]CO)(CHH)(H)	H(CCH)	119.9655	0.042	4	119.9655	0.002	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5]C[6]H)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5]C[6]H)(CHH)(H)	H(CCH)	119.9510	0.007	2	119.9510	0.000	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5]FH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5]FH)(CHH)(H)	H(CCH)	120.0125	0.012	2	120.0125	0.000	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5]HH)(CHH)(H)	H(CCH)	120.0885	1.218	138	120.0885	1.483	138	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5]HN)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5]HN)(CHH)(H)	H(CCH)	120.0118	0.061	6	120.0118	0.004	6	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5]HO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5]HO)(CHH)(H)	H(CCH)	119.9988	0.071	8	119.9988	0.005	8	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5a]CC)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5a]CC)(CHH)(H)	H(CCH)	119.4124	3.802	12	119.4124	14.456	12	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[5a]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[5a]HH)(CHH)(H)	H(CCH)	120.9033	6.058	13	120.9033	36.701	13	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6,6]CH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6,6]CH)(CHH)(H)	H(CCH)	120.0070	0.071	2	120.0070	0.005	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6,6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6,6]HH)(CHH)(H)	H(CCH)	119.9978	1.018	37	119.9978	1.036	37	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6]CH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6]CH)(CHH)(H)	H(CCH)	120.0019	0.362	15	120.0019	0.131	15	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6]CO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6]CO)(CHH)(H)	H(CCH)	120.3559	0.685	8	120.3559	0.469	8	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6]FH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6]FH)(CHH)(H)	H(CCH)	120.0078	0.042	5	120.0078	0.002	5	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6]HH)(CHH)(H)	H(CCH)	119.9626	2.304	211	119.9626	5.308	211	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6]HN)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6]HN)(CHH)(H)	H(CCH)	119.9637	0.032	3	119.9637	0.001	3	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6]HO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6]HO)(CHH)(H)	H(CCH)	120.0339	0.058	14	120.0339	0.003	14	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]2H)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]2H)(CHH)(H)	H(CCH)	120.0087	0.016	3	120.0087	0.000	3	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]2N)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]2N)(CHH)(H)	H(CCH)	120.0117	0.015	3	120.0117	0.000	3	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]CC)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]CC)(CHH)(H)	H(CCH)	120.3750	1.088	33	120.3750	1.184	33	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]CH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]CH)(CHH)(H)	H(CCH)	120.1214	0.870	137	120.1214	0.758	137	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]CN)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]CN)(CHH)(H)	H(CCH)	120.0175	0.021	2	120.0175	0.000	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]C[5]H)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]C[5]H)(CHH)(H)	H(CCH)	119.9574	0.521	32	119.9574	0.272	32	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]C[6]C)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]C[6]C)(CHH)(H)	H(CCH)	119.9890	0.043	4	119.9890	0.002	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]C[6]H)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]C[6]H)(CHH)(H)	H(CCH)	120.6921	1.550	16	120.6921	2.402	16	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]C[6]O)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]C[6]O)(CHH)(H)	H(CCH)	119.9785	0.025	2	119.9785	0.001	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]HH)(CHH)(H)	H(CCH)	120.2110	1.534	121	120.2110	2.354	121	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]HN)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]HN)(CHH)(H)	H(CCH)	119.2760	1.821	11	119.2760	3.317	11	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]HO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]HO)(CHH)(H)	H(CCH)	120.0131	0.104	12	120.0131	0.011	12	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]HS)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]HS)(CHH)(H)	H(CCH)	119.9926	0.171	8	119.9926	0.029	8	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]N[5]H)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]N[5]H)(CHH)(H)	H(CCH)	119.9993	0.025	4	119.9993	0.001	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CC[6a]N[6a]H)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CC[6a]N[6a]H)(CHH)(H)	H(CCH)	118.0525	7.936	2	118.0525	62.978	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCl2S)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCl2S)(CHH)(H)	H(CCH)	119.9767	0.037	4	119.9767	0.001	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CCoCH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CCoCH)(CHH)(H)	H(CCH)	120.0010	0.049	2	120.0010	0.002	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CDyCH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CDyCH)(CHH)(H)	H(CCH)	119.9990	0.011	2	119.9990	0.000	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CFeCC)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CFeCC)(CHH)(H)	H(CCH)	120.4147	0.951	4	120.4147	0.904	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CH3)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CH3)(CHH)(H)	H(CCH)	113.1820	0.064	2	113.1820	0.004	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHHN)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CHHN)(CHH)(H)	H(CCH)	120.1190	1.027	264	120.1190	1.054	264	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHHO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CHHO)(CHH)(H)	H(CCH)	120.1535	1.082	207	120.1535	1.170	207	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHHP)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CHHP)(CHH)(H)	H(CCH)	119.9778	0.372	44	119.9778	0.138	44	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHHS)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CHHS)(CHH)(H)	H(CCH)	120.3592	1.703	44	120.3592	2.901	44	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CHNO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CHNO)(CHH)(H)	H(CCH)	119.7685	0.630	2	119.7685	0.397	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CInHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CInHH)(CHH)(H)	H(CCH)	122.5150	1.867	12	122.5150	3.484	12	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CIrHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CIrHH)(CHH)(H)	H(CCH)	120.0180	0.028	4	120.0180	0.001	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CMgHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CMgHH)(CHH)(H)	H(CCH)	120.2990	0.606	6	120.2990	0.368	6	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[3x6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[3x6]HH)(CHH)(H)	H(CCH)	120.0315	0.025	2	120.0315	0.001	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[4,6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[4,6]HH)(CHH)(H)	H(CCH)	120.0000	0.055	2	120.0000	0.003	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[4]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[4]HH)(CHH)(H)	H(CCH)	120.0100	0.027	15	120.0100	0.001	15	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[5,6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[5,6]HH)(CHH)(H)	H(CCH)	119.9916	0.049	5	119.9916	0.002	5	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[5]CH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[5]CH)(CHH)(H)	H(CCH)	120.1960	1.333	24	120.1960	1.776	24	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[5]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[5]HH)(CHH)(H)	H(CCH)	120.0747	1.133	267	120.0747	1.283	267	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[5a]CC)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[5a]CC)(CHH)(H)	H(CCH)	119.9785	0.059	2	119.9785	0.003	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[5a]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[5a]HH)(CHH)(H)	H(CCH)	119.8985	2.111	141	119.8985	4.457	141	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[5a]HO)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[5a]HO)(CHH)(H)	H(CCH)	120.0307	0.022	3	120.0307	0.000	3	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[6]HH)(CHH)(H)	H(CCH)	120.1694	1.021	87	120.1694	1.042	87	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[6a]CH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[6a]CH)(CHH)(H)	H(CCH)	120.0360	0.031	2	120.0360	0.001	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CN[6a]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CN[6a]HH)(CHH)(H)	H(CCH)	120.1191	0.997	16	120.1191	0.994	16	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CNiHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CNiHH)(CHH)(H)	H(CCH)	119.9938	0.047	4	119.9938	0.002	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(COOU)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(COOU)(CHH)(H)	H(CCH)	120.0130	0.218	4	120.0130	0.047	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CP[4]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CP[4]HH)(CHH)(H)	H(CCH)	119.9860	0.132	2	119.9860	0.017	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CPdHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CPdHH)(CHH)(H)	H(CCH)	120.0198	0.069	4	120.0198	0.005	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CPtHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CPtHH)(CHH)(H)	H(CCH)	120.0080	0.042	2	120.0080	0.002	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CSeHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CSeHH)(CHH)(H)	H(CCH)	120.0325	0.009	2	120.0325	0.000	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CSiCC)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CSiCC)(CHH)(H)	H(CCH)	120.0280	0.043	4	120.0280	0.002	4	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CSiHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CSiHH)(CHH)(H)	H(CCH)	120.1846	0.502	17	120.1846	0.252	17	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CSi[6]HH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CSi[6]HH)(CHH)(H)	H(CCH)	119.9980	0.030	8	119.9980	0.001	8	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CTaHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CTaHH)(CHH)(H)	H(CCH)	119.9667	0.018	3	119.9667	0.000	3	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)2	C(CZnHH)(CHH)(H)	H(CCH)	C(CCH)(H)2	C(CZnHH)(CHH)(H)	H(CCH)	119.9750	0.066	2	119.9750	0.004	2	120.0976	2.358	2987	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:I-1:	C-3:	C(CCI)(H)2	C(CCCH)(CHH)(I)	H(CCH)	C(CCI)(H)2	C(CCCH)(CHH)(I)	H(CCH)	120.0245	0.065	4	120.0245	0.004	4	120.0114	0.005	16	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:I-1:	C-3:	C(CCI)(H)2	C(CCHH)(CHH)(I)	H(CCH)	C(CCI)(H)2	C(CCHH)(CHH)(I)	H(CCH)	120.0018	0.081	4	120.0018	0.007	4	120.0114	0.005	16	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:I-1:	C-3:	C(CCI)(H)2	C(CN[5a]HN)(CHH)(I)	H(CCH)	C(CCI)(H)2	C(CN[5a]HN)(CHH)(I)	H(CCH)	120.0142	0.091	6	120.0142	0.008	6	120.0114	0.005	16	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:I-1:	C-3:	C(CCI)(H)2	C(CN[6,6]CH)(CHH)(I)	H(CCH)	C(CCI)(H)2	C(CN[6,6]CH)(CHH)(I)	H(CCH)	119.9965	0.080	2	119.9965	0.006	2	120.0114	0.005	16	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(H)2	C(CCHH)(CHH)(O)	H(CCH)	C(CCO)(H)2	C(CCHH)(CHH)(O)	H(CCH)	112.0553	2.117	4	112.0553	4.483	4	114.7058	19.552	6	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(H)2	C(CH3)(CHH)(O)	H(CCH)	C(CCO)(H)2	C(CH3)(CHH)(O)	H(CCH)	120.0070	0.055	2	120.0070	0.003	2	114.7058	19.552	6	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3,5]-4:C-3:H-1:	C-3:	C(CC[3,5]H)(H)2	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHH)(H)	H(CCH)	C(CC[3,5]H)(H)2	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHH)(H)	H(CCH)	120.5755	0.773	2	120.5755	0.597	2	120.5755	0.597	2	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(H)2	C(C[3]C[3,5,6]C[3,5]C)(CHH)(H)	H(CCH)	C(CC[3]H)(H)2	C(C[3]C[3,5,6]C[3,5]C)(CHH)(H)	H(CCH)	119.9960	0.044	2	119.9960	0.002	2	119.9714	2.410	25	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(H)2	C(C[3]C[3,5]2H)(CHH)(H)	H(CCH)	C(CC[3]H)(H)2	C(C[3]C[3,5]2H)(CHH)(H)	H(CCH)	120.0240	0.027	2	120.0240	0.001	2	119.9714	2.410	25	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(H)2	C(C[3]C[3,5]C[3]H)(CHH)(H)	H(CCH)	C(CC[3]H)(H)2	C(C[3]C[3,5]C[3]H)(CHH)(H)	H(CCH)	119.6293	2.968	6	119.6293	8.807	6	119.9714	2.410	25	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(H)2	C(C[3]C[3,6]2H)(CHH)(H)	H(CCH)	C(CC[3]H)(H)2	C(C[3]C[3,6]2H)(CHH)(H)	H(CCH)	120.0132	0.042	4	120.0132	0.002	4	119.9714	2.410	25	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(H)2	C(C[3]C[3,6]C[3]H)(CHH)(H)	H(CCH)	C(CC[3]H)(H)2	C(C[3]C[3,6]C[3]H)(CHH)(H)	H(CCH)	119.9925	0.004	2	119.9925	0.000	2	119.9714	2.410	25	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(H)2	C(C[3]C[3]2C)(CHH)(H)	H(CCH)	C(CC[3]H)(H)2	C(C[3]C[3]2C)(CHH)(H)	H(CCH)	120.4743	2.481	3	120.4743	6.156	3	119.9714	2.410	25	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(H)2	C(C[3]C[3]2H)(CHH)(H)	H(CCH)	C(CC[3]H)(H)2	C(C[3]C[3]2H)(CHH)(H)	H(CCH)	120.0125	0.021	4	120.0125	0.000	4	119.9714	2.410	25	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(H)2	C(C[3]C[6a]C[3]2)(CHH)(H)	H(CCH)	C(CC[3]H)(H)2	C(C[3]C[6a]C[3]2)(CHH)(H)	H(CCH)	119.9795	0.023	2	119.9795	0.001	2	119.9714	2.410	25	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3x6]-4:C-3:H-1:	C-3:	C(CC[3x6]H)(H)2	C(C[3x6]C[3x6]C[4x6]C[6,6])(CHH)(H)	H(CCH)	C(CC[3x6]H)(H)2	C(C[3x6]C[3x6]C[4x6]C[6,6])(CHH)(H)	H(CCH)	119.9925	0.028	2	119.9925	0.001	2	119.9935	0.001	4	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3x6]-4:C-3:H-1:	C-3:	C(CC[3x6]H)(H)2	C(C[3x6]C[6,6,6a]2C[5,3x6])(CHH)(H)	H(CCH)	C(CC[3x6]H)(H)2	C(C[3x6]C[6,6,6a]2C[5,3x6])(CHH)(H)	H(CCH)	119.9945	0.036	2	119.9945	0.001	2	119.9935	0.001	4	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[4]-4:C-3:H-1:	C-3:	C(CC[4]H)(H)2	C(C[4]C[4,5]C[4]H)(CHH)(H)	H(CCH)	C(CC[4]H)(H)2	C(C[4]C[4,5]C[4]H)(CHH)(H)	H(CCH)	122.2223	2.538	4	122.2223	6.444	4	121.2723	4.626	7	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[4]-4:C-3:H-1:	C-3:	C(CC[4]H)(H)2	C(C[4]C[4]N[4]H)(CHH)(H)	H(CCH)	C(CC[4]H)(H)2	C(C[4]C[4]N[4]H)(CHH)(H)	H(CCH)	120.0110	0.000	1	120.0110	0.000	1	121.2723	4.626	7	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[4]-4:C-3:H-1:	C-3:	C(CC[4]H)(H)2	C(C[4]C[4]O[4]H)(CHH)(H)	H(CCH)	C(CC[4]H)(H)2	C(C[4]C[4]O[4]H)(CHH)(H)	H(CCH)	120.0030	0.016	2	120.0030	0.000	2	121.2723	4.626	7	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,5,6,6]-4:C-3:H-1:	C-3:	C(CC[5,5,6,6]H)(H)2	C(C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6])(CHH)(H)	H(CCH)	C(CC[5,5,6,6]H)(H)2	C(C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6])(CHH)(H)	H(CCH)	119.9850	0.044	2	119.9850	0.002	2	119.9850	0.002	2	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,5,6]-4:C-3:H-1:	C-3:	C(CC[5,5,6]H)(H)2	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(CHH)(H)	H(CCH)	C(CC[5,5,6]H)(H)2	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(CHH)(H)	H(CCH)	119.9945	0.030	2	119.9945	0.001	2	119.9945	0.001	2	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,5,6]-4:C-3:O-1:	C-3:	C(CC[5,5,6]O)(H)2	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CHH)(O)	H(CCH)	C(CC[5,5,6]O)(H)2	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CHH)(O)	H(CCH)	109.6020	9.894	2	109.6020	97.888	2	109.6020	97.888	2	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,5]-4:C-3:H-1:	C-3:	C(CC[5,5]H)(H)2	C(C[5,5]C[5,5,6]2H)(CHH)(H)	H(CCH)	C(CC[5,5]H)(H)2	C(C[5,5]C[5,5,6]2H)(CHH)(H)	H(CCH)	120.0092	0.040	6	120.0092	0.002	6	120.0004	0.002	10	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,5]-4:C-3:H-1:	C-3:	C(CC[5,5]H)(H)2	C(C[5,5]C[5,5]C[5]2)(CHH)(H)	H(CCH)	C(CC[5,5]H)(H)2	C(C[5,5]C[5,5]C[5]2)(CHH)(H)	H(CCH)	119.9873	0.062	4	119.9873	0.004	4	120.0004	0.002	10	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,6,6]-4:C-3:H-1:	C-3:	C(CC[5,6,6]H)(H)2	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(CHH)(H)	H(CCH)	C(CC[5,6,6]H)(H)2	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(CHH)(H)	H(CCH)	120.0140	0.014	2	120.0140	0.000	2	120.0140	0.000	2	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(H)2	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CHH)(H)	H(CCH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CHH)(H)	H(CCH)	119.9800	0.035	3	119.9800	0.001	3	119.9911	0.001	27	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(H)2	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	H(CCH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	H(CCH)	119.9815	0.047	2	119.9815	0.002	2	119.9911	0.001	27	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	H(CCH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	H(CCH)	120.0084	0.026	5	120.0084	0.001	5	119.9911	0.001	27	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6]2H)(CHH)(H)	H(CCH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6]2H)(CHH)(H)	H(CCH)	119.9938	0.030	11	119.9938	0.001	11	119.9911	0.001	27	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CHH)(H)	H(CCH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6]C[5]C[6])(CHH)(H)	H(CCH)	119.9845	0.016	2	119.9845	0.000	2	119.9911	0.001	27	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHH)(H)	H(CCH)	C(CC[5,6]H)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHH)(H)	H(CCH)	119.9785	0.059	4	119.9785	0.004	4	119.9911	0.001	27	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:Br-1:	C-3:	C(CC[5]Br)(H)2	C(C[5]C[5]2H)(CHH)(Br)	H(CCH)	C(CC[5]Br)(H)2	C(C[5]C[5]2H)(CHH)(Br)	H(CCH)	120.8635	1.085	2	120.8635	1.178	2	120.8635	1.178	2	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:Cl-1:	C-3:	C(CC[5]Cl)(H)2	C(C[5]C[5]2Fe)(CHH)(Cl)	H(CCH)	C(CC[5]Cl)(H)2	C(C[5]C[5]2Fe)(CHH)(Cl)	H(CCH)	120.0356	0.055	7	120.0356	0.003	7	120.0356	0.003	7	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[3x5]C[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[3x5]C[5]H)(CHH)(H)	H(CCH)	119.5992	2.102	4	119.5992	4.419	4	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,3x6]C[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,3x6]C[5]H)(CHH)(H)	H(CCH)	120.0815	0.080	2	120.0815	0.006	2	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,5,6]O[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,5,6]O[5]H)(CHH)(H)	H(CCH)	119.9950	0.000	1	119.9950	0.000	1	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]C)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]C)(CHH)(H)	H(CCH)	120.0108	0.036	6	120.0108	0.001	6	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(H)	H(CCH)	120.0531	0.283	45	120.0531	0.080	45	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,5]N[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,5]N[5]H)(CHH)(H)	H(CCH)	119.9890	0.000	1	119.9890	0.000	1	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,5]O[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,5]O[5]H)(CHH)(H)	H(CCH)	120.0205	0.028	2	120.0205	0.001	2	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,6,6]C[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6,6]C[5]H)(CHH)(H)	H(CCH)	119.9830	0.044	2	119.9830	0.002	2	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[5]H)(CHH)(H)	H(CCH)	120.0398	0.873	33	120.0398	0.763	33	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	H(CCH)	119.9910	0.028	6	119.9910	0.001	6	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,6]O[5]C)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6]O[5]C)(CHH)(H)	H(CCH)	119.9994	0.044	5	119.9994	0.002	5	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,6]O[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6]O[5]H)(CHH)(H)	H(CCH)	120.0077	0.032	3	120.0077	0.001	3	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,6a]C[5]C)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6a]C[5]C)(CHH)(H)	H(CCH)	119.9753	0.009	3	119.9753	0.000	3	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5,6a]C[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5,6a]C[5]H)(CHH)(H)	H(CCH)	120.0083	0.032	8	120.0083	0.001	8	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]2C)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2C)(CHH)(H)	H(CCH)	120.0015	0.025	13	120.0015	0.001	13	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]2Fe)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2Fe)(CHH)(H)	H(CCH)	120.0136	0.044	34	120.0136	0.002	34	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2H)(CHH)(H)	H(CCH)	120.0889	1.383	103	120.0889	1.913	103	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]2O)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2O)(CHH)(H)	H(CCH)	120.0160	0.011	2	120.0160	0.000	2	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]2Ru)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2Ru)(CHH)(H)	H(CCH)	120.1170	0.042	2	120.1170	0.002	2	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]2Zr)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]2Zr)(CHH)(H)	H(CCH)	119.9740	0.016	2	119.9740	0.000	2	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]N[5]C)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]C)(CHH)(H)	H(CCH)	120.1455	2.190	8	120.1455	4.796	8	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]H)(CHH)(H)	H(CCH)	120.0043	0.320	45	120.0043	0.102	45	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]N[5]O)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]N[5]O)(CHH)(H)	H(CCH)	120.0403	0.063	4	120.0403	0.004	4	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]O[5]C)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]C)(CHH)(H)	H(CCH)	119.9973	0.036	3	119.9973	0.001	3	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[5]O[5]H)(CHH)(H)	H(CCH)	120.2081	0.740	24	120.2081	0.547	24	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[6a]C[5]2)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[6a]C[5]2)(CHH)(H)	H(CCH)	120.0015	0.039	8	120.0015	0.001	8	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]C[6a]C[5]N[5])(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]C[6a]C[5]N[5])(CHH)(H)	H(CCH)	119.9965	0.006	2	119.9965	0.000	2	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]N[5,6]C[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]N[5,6]C[5]H)(CHH)(H)	H(CCH)	119.9886	0.025	10	119.9886	0.001	10	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]O[5]2C)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]O[5]2C)(CHH)(H)	H(CCH)	119.9480	2.612	2	119.9480	6.823	2	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(H)2	C(C[5]Si[5]C[5]H)(CHH)(H)	H(CCH)	C(CC[5]H)(H)2	C(C[5]Si[5]C[5]H)(CHH)(H)	H(CCH)	120.0670	0.835	6	120.0670	0.697	6	120.0484	0.772	389	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	H(CCH)	C(CC[6,6]H)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	H(CCH)	120.0679	1.765	151	120.0679	3.115	151	120.0638	2.903	162	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(H)2	C(C[6,6]C[5,5,3x6]C[6,6]C)(CHH)(H)	H(CCH)	C(CC[6,6]H)(H)2	C(C[6,6]C[5,5,3x6]C[6,6]C)(CHH)(H)	H(CCH)	120.0200	0.006	2	120.0200	0.000	2	120.0638	2.903	162	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(H)2	C(C[6,6]C[6,6]2C[6])(CHH)(H)	H(CCH)	C(CC[6,6]H)(H)2	C(C[6,6]C[6,6]2C[6])(CHH)(H)	H(CCH)	120.0290	0.025	2	120.0290	0.001	2	120.0638	2.903	162	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(H)2	C(C[6,6]C[6,6]2H)(CHH)(H)	H(CCH)	C(CC[6,6]H)(H)2	C(C[6,6]C[6,6]2H)(CHH)(H)	H(CCH)	119.9995	0.014	4	119.9995	0.000	4	120.0638	2.903	162	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	H(CCH)	C(CC[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	H(CCH)	119.9943	0.040	3	119.9943	0.002	3	120.0638	2.903	162	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[3,6]C[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[3,6]C[6]H)(CHH)(H)	H(CCH)	119.9830	0.046	3	119.9830	0.002	3	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[3x6]C[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[3x6]C[6]H)(CHH)(H)	H(CCH)	119.9615	0.028	2	119.9615	0.001	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[5,6,6]O[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[5,6,6]O[6]H)(CHH)(H)	H(CCH)	119.9705	0.023	2	119.9705	0.001	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]C)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]C)(CHH)(H)	H(CCH)	120.0185	0.012	2	120.0185	0.000	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CHH)(H)	H(CCH)	119.9792	0.068	19	119.9792	0.005	19	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[5,6]N[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[5,6]N[6]H)(CHH)(H)	H(CCH)	120.0010	0.049	2	120.0010	0.002	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[5a,6]C[6]C)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[5a,6]C[6]C)(CHH)(H)	H(CCH)	119.9793	0.054	4	119.9793	0.003	4	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[5a,6]C[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[5a,6]C[6]H)(CHH)(H)	H(CCH)	119.9835	0.056	6	119.9835	0.003	6	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]C)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]C)(CHH)(H)	H(CCH)	120.0910	0.000	2	120.0910	0.000	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	H(CCH)	119.5641	1.650	41	119.5641	2.724	41	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]O)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]O)(CHH)(H)	H(CCH)	120.0217	0.760	4	120.0217	0.577	4	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6]N[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6]N[6]H)(CHH)(H)	H(CCH)	120.6322	1.045	4	120.6322	1.093	4	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6]O[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6]O[6]H)(CHH)(H)	H(CCH)	119.9890	0.000	1	119.9890	0.000	1	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	H(CCH)	120.0232	0.049	6	120.0232	0.002	6	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6,6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6,6]H)(CHH)(H)	H(CCH)	120.0025	0.015	2	120.0025	0.000	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]C)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]C)(CHH)(H)	H(CCH)	119.9755	0.076	2	119.9755	0.006	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]H)(CHH)(H)	H(CCH)	120.2009	0.639	16	120.2009	0.408	16	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	H(CCH)	120.0500	0.029	4	120.0500	0.001	4	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6a]N[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6a]N[6]H)(CHH)(H)	H(CCH)	120.0277	0.014	4	120.0277	0.000	4	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6,6a]O[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6a]O[6]H)(CHH)(H)	H(CCH)	120.0130	0.032	6	120.0130	0.001	6	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	H(CCH)	119.8847	1.517	117	119.8847	2.302	117	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6]2Cr)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2Cr)(CHH)(H)	H(CCH)	119.8820	0.561	2	119.8820	0.315	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	H(CCH)	120.4228	1.061	58	120.4228	1.126	58	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6]2O)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2O)(CHH)(H)	H(CCH)	120.1453	0.591	12	120.1453	0.350	12	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6]2S)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2S)(CHH)(H)	H(CCH)	119.2145	0.541	2	119.2145	0.293	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6]N[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]N[6]H)(CHH)(H)	H(CCH)	120.2191	0.648	17	120.2191	0.420	17	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6]O[6]C)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]C)(CHH)(H)	H(CCH)	120.1671	0.763	14	120.1671	0.583	14	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	H(CCH)	120.3505	1.283	35	120.3505	1.647	35	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]C[6a]C[6]2)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]C[6a]C[6]2)(CHH)(H)	H(CCH)	120.0305	1.146	2	120.0305	1.314	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]N[5,6]C[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]N[5,6]C[6]H)(CHH)(H)	H(CCH)	119.9620	0.040	2	119.9620	0.002	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]N[5a,6]C[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]N[5a,6]C[6]H)(CHH)(H)	H(CCH)	121.0015	1.138	12	121.0015	1.294	12	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]N[6,6a]C[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]N[6,6a]C[6]H)(CHH)(H)	H(CCH)	120.4780	1.339	2	120.4780	1.794	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]N[6]O[6]H)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]N[6]O[6]H)(CHH)(H)	H(CCH)	120.0260	0.079	2	120.0260	0.006	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)2	C(C[6]O[6]2C)(CHH)(H)	H(CCH)	C(CC[6]H)(H)2	C(C[6]O[6]2C)(CHH)(H)	H(CCH)	119.9970	0.006	2	119.9970	0.000	2	120.0735	1.422	411	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Ge-4:C-3:H-1:	C-3:	C(CGeH)(H)2	C(GeO3)(CHH)(H)	H(CCH)	C(CGeH)(H)2	C(GeO3)(CHH)(H)	H(CCH)	120.0205	0.015	2	120.0205	0.000	2	120.0205	0.000	2	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	N-4:C-3:H-1:	C-3:	C(CHN)(H)2	C(NC3)(CHH)(H)	H(CCH)	C(CHN)(H)2	C(NC3)(CHH)(H)	H(CCH)	120.0227	0.049	6	120.0227	0.002	6	120.0227	0.002	6	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(H)2	C(PBCC)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PBCC)(CHH)(H)	H(CCH)	120.5246	1.968	16	120.5246	3.874	16	120.2302	2.299	54	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(H)2	C(PC[6]2Ru)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PC[6]2Ru)(CHH)(H)	H(CCH)	119.9873	0.060	4	119.9873	0.004	4	120.2302	2.299	54	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(H)2	C(PC[6]CC)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PC[6]CC)(CHH)(H)	H(CCH)	119.5777	2.894	6	119.5777	8.374	6	120.2302	2.299	54	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(H)2	C(PC[6a]2Fe)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PC[6a]2Fe)(CHH)(H)	H(CCH)	120.0030	0.024	2	120.0030	0.001	2	120.2302	2.299	54	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(H)2	C(PC[6a]2O)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PC[6a]2O)(CHH)(H)	H(CCH)	120.6380	1.824	2	120.6380	3.328	2	120.2302	2.299	54	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(H)2	C(PC[6a]2Rh)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PC[6a]2Rh)(CHH)(H)	H(CCH)	119.9932	0.047	4	119.9932	0.002	4	120.2302	2.299	54	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(H)2	C(PC[6a]2Ru)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PC[6a]2Ru)(CHH)(H)	H(CCH)	120.0080	0.036	4	120.0080	0.001	4	120.2302	2.299	54	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(H)2	C(PC[6a]BC)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PC[6a]BC)(CHH)(H)	H(CCH)	119.9998	0.025	4	119.9998	0.001	4	120.2302	2.299	54	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(H)2	C(PC[6a]CO)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PC[6a]CO)(CHH)(H)	H(CCH)	120.0044	0.036	10	120.0044	0.001	10	120.2302	2.299	54	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(H)2	C(PIrCC)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PIrCC)(CHH)(H)	H(CCH)	122.6465	1.036	2	122.6465	1.073	2	120.2302	2.299	54	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	S-4:C-3:H-1:	C-3:	C(CHS)(H)2	C(SC[5,6]PtO)(CHH)(H)	H(CCH)	C(CHS)(H)2	C(SC[5,6]PtO)(CHH)(H)	H(CCH)	120.0160	0.036	3	120.0160	0.001	3	120.1947	0.694	12	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	S-4:C-3:H-1:	C-3:	C(CHS)(H)2	C(SC[5]CC)(CHH)(H)	H(CCH)	C(CHS)(H)2	C(SC[5]CC)(CHH)(H)	H(CCH)	120.1170	1.560	2	120.1170	2.433	2	120.1947	0.694	12	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	S-4:C-3:H-1:	C-3:	C(CHS)(H)2	C(SC[6a]NO)(CHH)(H)	H(CCH)	C(CHS)(H)2	C(SC[6a]NO)(CHH)(H)	H(CCH)	119.9690	0.000	1	119.9690	0.000	1	120.1947	0.694	12	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	S-4:C-3:H-1:	C-3:	C(CHS)(H)2	C(SC[6a]OO)(CHH)(H)	H(CCH)	C(CHS)(H)2	C(SC[6a]OO)(CHH)(H)	H(CCH)	119.9915	0.033	2	119.9915	0.001	2	120.1947	0.694	12	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	S-4:C-3:H-1:	C-3:	C(CHS)(H)2	C(SNOO)(CHH)(H)	H(CCH)	C(CHS)(H)2	C(SNOO)(CHH)(H)	H(CCH)	121.3340	1.017	2	121.3340	1.034	2	120.1947	0.694	12	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	S-4:C-3:H-1:	C-3:	C(CHS)(H)2	C(SN[6]OO)(CHH)(H)	H(CCH)	C(CHS)(H)2	C(SN[6]OO)(CHH)(H)	H(CCH)	119.7175	0.933	2	119.7175	0.870	2	120.1947	0.694	12	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiC3)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiC3)(CHH)(H)	H(CCH)	121.7962	2.452	9	121.7962	6.012	9	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiCCO)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiCCO)(CHH)(H)	H(CCH)	119.9974	0.074	22	119.9974	0.005	22	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	H(CCH)	119.9878	0.029	18	119.9878	0.001	18	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiC[5]2O)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiC[5]2O)(CHH)(H)	H(CCH)	120.4483	1.061	6	120.4483	1.126	6	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiC[5]3)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiC[5]3)(CHH)(H)	H(CCH)	120.0040	0.011	2	120.0040	0.000	2	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiC[5]CC)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiC[5]CC)(CHH)(H)	H(CCH)	120.0130	0.031	2	120.0130	0.001	2	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiC[5]C[6]C)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiC[5]C[6]C)(CHH)(H)	H(CCH)	119.9430	0.010	2	119.9430	0.000	2	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiC[5x3,5x5,20x6]CC)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiC[5x3,5x5,20x6]CC)(CHH)(H)	H(CCH)	119.9990	0.038	9	119.9990	0.001	9	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiC[6a]2C)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiC[6a]2C)(CHH)(H)	H(CCH)	119.9957	0.031	9	119.9957	0.001	9	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiC[6a]CC)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiC[6a]CC)(CHH)(H)	H(CCH)	120.2183	0.894	6	120.2183	0.800	6	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiCl2C)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiCl2C)(CHH)(H)	H(CCH)	119.9350	0.007	2	119.9350	0.000	2	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiGe[3,3,4,4,4x6]C[6a]2)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiGe[3,3,4,4,4x6]C[6a]2)(CHH)(H)	H(CCH)	120.0825	0.053	2	120.0825	0.003	2	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiO3)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiO3)(CHH)(H)	H(CCH)	120.0001	0.033	7	120.0001	0.001	7	120.2062	0.888	96	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:I-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)(I)	C(CC3)(CHI)(H)	H(CCI)	C(CCH)(H)(I)	C(CC3)(CHI)(H)	H(CCI)	119.6433	1.640	3	119.6433	2.690	3	119.2043	2.565	4	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:I-1:	C-4:C-3:H-1:	C-3:	C(CCH)(H)(I)	C(CN[5]HH)(CHI)(H)	H(CCI)	C(CCH)(H)(I)	C(CN[5]HH)(CHI)(H)	H(CCI)	117.8870	0.000	1	117.8870	0.000	1	119.2043	2.565	4	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:I-1:	C-4:C-3:I-1:	C-3:	C(CCI)(H)(I)	C(CHHO)(CHI)(I)	H(CCI)	C(CCI)(H)(I)	C(CHHO)(CHI)(I)	H(CCI)	118.1165	0.306	2	118.1165	0.094	2	118.1910	0.064	3	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:I-1:	C-4:C-3:I-1:	C-3:	C(CCI)(H)(I)	C(CN[6]HH)(CHI)(I)	H(CCI)	C(CCI)(H)(I)	C(CN[6]HH)(CHI)(I)	H(CCI)	118.3400	0.000	1	118.3400	0.000	1	118.1910	0.064	3	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:I-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(H)(I)	C(C[6]C[6]O[6]H)(CHI)(H)	H(CCI)	C(CC[6]H)(H)(I)	C(C[6]C[6]O[6]H)(CHI)(H)	H(CCI)	118.3060	0.345	2	118.3060	0.119	2	118.3060	0.119	2	120.0754	2.303	4288	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(H)2	C(CCHH)(CHH)(CC)	H(CCH)	C(CCC)(H)2	C(CCHH)(CHH)(CC)	H(CCH)	114.8710	7.606	2	114.8710	57.846	2	119.7526	2.933	47	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(H)2	C(CCHH)(CHH)(CN)	H(CCH)	C(CCC)(H)2	C(CCHH)(CHH)(CN)	H(CCH)	119.9921	0.035	9	119.9921	0.001	9	119.7526	2.933	47	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(H)2	C(CC[4]HO)(CHH)(CN)	H(CCH)	C(CCC)(H)2	C(CC[4]HO)(CHH)(CN)	H(CCH)	119.9560	0.023	2	119.9560	0.001	2	119.7526	2.933	47	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(H)2	C(CC[6a]C[5]H)(CHH)(CN)	H(CCH)	C(CCC)(H)2	C(CC[6a]C[5]H)(CHH)(CN)	H(CCH)	119.9960	0.000	1	119.9960	0.000	1	119.7526	2.933	47	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(H)2	C(CC[6a]HN)(CHH)(CN)	H(CCH)	C(CCC)(H)2	C(CC[6a]HN)(CHH)(CN)	H(CCH)	120.0048	0.065	4	120.0048	0.004	4	119.7526	2.933	47	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(H)2	C(CC[6a]HO)(CHH)(CN)	H(CCH)	C(CCC)(H)2	C(CC[6a]HO)(CHH)(CN)	H(CCH)	119.9929	0.043	8	119.9929	0.002	8	119.7526	2.933	47	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(H)2	C(CH3)(CHH)(CC)	H(CCH)	C(CCC)(H)2	C(CH3)(CHH)(CC)	H(CCH)	120.0863	0.701	16	120.0863	0.492	16	119.7526	2.933	47	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(H)2	C(CN[5]HH)(CHH)(CN)	H(CCH)	C(CCC)(H)2	C(CN[5]HH)(CHH)(CN)	H(CCH)	119.9793	0.034	3	119.9793	0.001	3	119.7526	2.933	47	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(H)2	C(CN[6]HH)(CHH)(CN)	H(CCH)	C(CCC)(H)2	C(CN[6]HH)(CHH)(CN)	H(CCH)	118.7565	4.086	2	118.7565	16.698	2	119.7526	2.933	47	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(H)2	C(CC3)(CHH)(OB)	H(CCH)	C(CCO)(H)2	C(CC3)(CHH)(OB)	H(CCH)	119.9800	0.008	2	119.9800	0.000	2	120.0665	0.632	45	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(H)2	C(CC3)(CHH)(OMo)	H(CCH)	C(CCO)(H)2	C(CC3)(CHH)(OMo)	H(CCH)	119.9855	0.125	2	119.9855	0.016	2	120.0665	0.632	45	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(H)2	C(CC3)(CHH)(OSi)	H(CCH)	C(CCO)(H)2	C(CC3)(CHH)(OSi)	H(CCH)	119.9905	0.016	4	119.9905	0.000	4	120.0665	0.632	45	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(H)2	C(CCFF)(CHH)(OS)	H(CCH)	C(CCO)(H)2	C(CCFF)(CHH)(OS)	H(CCH)	119.9760	0.000	1	119.9760	0.000	1	120.0665	0.632	45	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(H)2	C(CCHO)(CHH)(OC)	H(CCH)	C(CCO)(H)2	C(CCHO)(CHH)(OC)	H(CCH)	119.9975	0.045	24	119.9975	0.002	24	120.0665	0.632	45	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(H)2	C(CC[6a]HO)(CHH)(OC)	H(CCH)	C(CCO)(H)2	C(CC[6a]HO)(CHH)(OC)	H(CCH)	119.9993	0.020	4	119.9993	0.000	4	120.0665	0.632	45	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(H)2	C(CH3)(CHH)(OB)	H(CCH)	C(CCO)(H)2	C(CH3)(CHH)(OB)	H(CCH)	119.9995	0.018	2	119.9995	0.000	2	120.0665	0.632	45	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(H)2	C(CHHN)(CHH)(OC)	H(CCH)	C(CCO)(H)2	C(CHHN)(CHH)(OC)	H(CCH)	120.9447	2.813	4	120.9447	7.912	4	120.0665	0.632	45	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(H)2	C(CHHP)(CHH)(OC)	H(CCH)	C(CCO)(H)2	C(CHHP)(CHH)(OC)	H(CCH)	119.7045	0.687	2	119.7045	0.471	2	120.0665	0.632	45	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C[3]-4:C-3:O-2:	C-3:	C(CC[3]O)(H)2	C(C[3]C[3,5]C[3]C)(CHH)(OSi)	H(CCH)	C(CC[3]O)(H)2	C(C[3]C[3,5]C[3]C)(CHH)(OSi)	H(CCH)	119.9870	0.011	2	119.9870	0.000	2	119.9870	0.000	2	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C[4]-4:C-3:O-2:	C-3:	C(CC[4]O)(H)2	C(C[4]C[4,6]C[4]O)(CHH)(OC)	H(CCH)	C(CC[4]O)(H)2	C(C[4]C[4,6]C[4]O)(CHH)(OC)	H(CCH)	119.3790	4.455	2	119.3790	19.845	2	119.3790	19.845	2	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C[5,6]-4:C-3:O-2:	C-3:	C(CC[5,6]O)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CHH)(OC)	H(CCH)	C(CC[5,6]O)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CHH)(OC)	H(CCH)	119.9865	0.019	2	119.9865	0.000	2	119.9865	0.000	2	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-2:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]O)(CHH)(CN)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]O)(CHH)(CN)	H(CCH)	120.0400	0.024	2	120.0400	0.001	2	120.0128	0.001	6	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-2:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]O)(CHH)(CN)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]O)(CHH)(CN)	H(CCH)	119.9895	0.009	2	119.9895	0.000	2	120.0128	0.001	6	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-2:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2Fe)(CHH)(CC)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2Fe)(CHH)(CC)	H(CCH)	120.0090	0.004	2	120.0090	0.000	2	120.0128	0.001	6	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C[6]-4:C-3:O-2:	C-3:	C(CC[6]O)(H)2	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	H(CCH)	C(CC[6]O)(H)2	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	H(CCH)	119.9884	0.016	5	119.9884	0.000	5	119.9884	0.000	5	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:O-1:	C-4:C-3:N-2:	C-3:	C(CCN)(H)(O)	C(CCHH)(CHO)(NO)	H(CCO)	C(CCN)(H)(O)	C(CCHH)(CHO)(NO)	H(CCO)	118.1480	0.000	1	118.1480	0.000	1	118.1480	0.000	1	119.8931	1.730	110	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:Cl-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(Cl)(H)	C(CCFF)(CClH)(CCC)	H(CClC)	C(CCC)(Cl)(H)	C(CCFF)(CClH)(CCC)	H(CClC)	123.1720	0.000	1	123.1720	0.000	1	123.1720	0.000	1	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:Cl-1:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(Cl)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CClH)	H(CClC)	C(CC[6a]C[5])(Cl)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CClH)	H(CClC)	117.7120	0.000	1	117.7120	0.000	1	117.7120	0.000	1	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CB[6]HH)(CHH)(CNO)	H(CCH)	C(CCC)(H)2	C(CB[6]HH)(CHH)(CNO)	H(CCH)	119.9815	0.023	4	119.9815	0.001	4	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC3)(CCH)(CHH)	H(CCH)	C(CCC)(H)2	C(CC3)(CCH)(CHH)	H(CCH)	120.8183	1.667	6	120.8183	2.779	6	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CCCH)(CCH)(CHH)	H(CCH)	C(CCC)(H)2	C(CCCH)(CCH)(CHH)	H(CCH)	119.9780	0.014	2	119.9780	0.000	2	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CCCH)(CCO)(CHH)	H(CCH)	C(CCC)(H)2	C(CCCH)(CCO)(CHH)	H(CCH)	128.1065	2.948	2	128.1065	8.690	2	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CCCH)(CHH)(CHO)	H(CCH)	C(CCC)(H)2	C(CCCH)(CHH)(CHO)	H(CCH)	119.9990	0.043	4	119.9990	0.002	4	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CCCH)(CHH)(CNO)	H(CCH)	C(CCC)(H)2	C(CCCH)(CHH)(CNO)	H(CCH)	119.9845	0.019	2	119.9845	0.000	2	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CCCH)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CCCH)(CHH)(COO)	H(CCH)	120.3574	0.889	19	120.3574	0.791	19	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CCCO)(CCH)(CHH)	H(CCH)	C(CCC)(H)2	C(CCCO)(CCH)(CHH)	H(CCH)	120.0191	0.040	7	120.0191	0.002	7	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CCHH)(CCH)(CHH)	H(CCH)	C(CCC)(H)2	C(CCHH)(CCH)(CHH)	H(CCH)	120.0248	0.054	6	120.0248	0.003	6	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CCHH)(CHH)(CHN)	H(CCH)	C(CCC)(H)2	C(CCHH)(CHH)(CHN)	H(CCH)	120.0048	0.033	4	120.0048	0.001	4	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CCHH)(CHH)(CNO)	H(CCH)	C(CCC)(H)2	C(CCHH)(CHH)(CNO)	H(CCH)	120.0166	0.043	5	120.0166	0.002	5	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CCHH)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CCHH)(CHH)(COO)	H(CCH)	120.4823	1.119	28	120.4823	1.253	28	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CCHO)(CCH)(CHH)	H(CCH)	C(CCC)(H)2	C(CCHO)(CCH)(CHH)	H(CCH)	119.9970	0.088	2	119.9970	0.008	2	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[5,6]HH)(CC[5]H)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5,6]HH)(CC[5]H)(CHH)	H(CCH)	120.0210	0.018	2	120.0210	0.000	2	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[5]CH)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[5]CH)(CHH)(COO)	H(CCH)	120.0105	0.060	2	120.0105	0.004	2	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[5]HH)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[5]HH)(CHH)(COO)	H(CCH)	120.4352	0.755	4	120.4352	0.570	4	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[5a]C[6a]H)(CHH)(CHO)	H(CCH)	C(CCC)(H)2	C(CC[5a]C[6a]H)(CHH)(CHO)	H(CCH)	119.9640	0.036	3	119.9640	0.001	3	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[5a]HH)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[5a]HH)(CHH)(COO)	H(CCH)	119.9950	0.056	4	119.9950	0.003	4	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[5a]HN)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[5a]HN)(CHH)(COO)	H(CCH)	120.0180	0.023	2	120.0180	0.001	2	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6]HH)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[6]HH)(CHH)(COO)	H(CCH)	119.0668	1.488	6	119.0668	2.214	6	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]2H)(CC[6a]O)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]2H)(CC[6a]O)(CHH)	H(CCH)	120.0058	0.025	4	120.0058	0.001	4	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]CH)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[6a]CH)(CHH)(COO)	H(CCH)	120.2648	2.219	20	120.2648	4.925	20	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]C[5]H)(CCO)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]C[5]H)(CCO)(CHH)	H(CCH)	119.9887	0.029	4	119.9887	0.001	4	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]C[5]H)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[6a]C[5]H)(CHH)(COO)	H(CCH)	119.9944	0.033	13	119.9944	0.001	13	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]C[6]H)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[6a]C[6]H)(CHH)(COO)	H(CCH)	120.7880	1.615	4	120.7880	2.607	4	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]HH)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[6a]HH)(CHH)(COO)	H(CCH)	120.0165	0.033	4	120.0165	0.001	4	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]HN)(CCO)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]HN)(CCO)(CHH)	H(CCH)	120.0177	0.058	6	120.0177	0.003	6	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]HN)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[6a]HN)(CHH)(COO)	H(CCH)	120.8800	0.646	2	120.8800	0.418	2	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]HO)(CCC)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]HO)(CCC)(CHH)	H(CCH)	120.0235	0.122	4	120.0235	0.015	4	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]HO)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[6a]HO)(CHH)(COO)	H(CCH)	120.0035	0.025	11	120.0035	0.001	11	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]HP)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[6a]HP)(CHH)(COO)	H(CCH)	119.9915	0.015	2	119.9915	0.000	2	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]HS)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CC[6a]HS)(CHH)(COO)	H(CCH)	119.9820	0.027	2	119.9820	0.001	2	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]N[5a]H)(CCO)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]N[5a]H)(CCO)(CHH)	H(CCH)	120.0170	0.035	2	120.0170	0.001	2	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CF3)(CCS)(CHH)	H(CCH)	C(CCC)(H)2	C(CF3)(CCS)(CHH)	H(CCH)	120.0160	0.000	1	120.0160	0.000	1	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CH3)(CCC)(CHH)	H(CCH)	C(CCC)(H)2	C(CH3)(CCC)(CHH)	H(CCH)	120.7621	1.463	9	120.7621	2.140	9	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CH3)(CCH)(CHH)	H(CCH)	C(CCC)(H)2	C(CH3)(CCH)(CHH)	H(CCH)	120.4118	3.324	9	120.4118	11.049	9	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CH3)(CHH)(CHO)	H(CCH)	C(CCC)(H)2	C(CH3)(CHH)(CHO)	H(CCH)	119.9910	0.039	6	119.9910	0.002	6	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CH3)(CHH)(CNO)	H(CCH)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	H(CCH)	120.0920	1.049	61	120.0920	1.100	61	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CH3)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CH3)(CHH)(COO)	H(CCH)	119.9670	0.838	92	119.9670	0.702	92	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CHHN)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CHHN)(CHH)(COO)	H(CCH)	120.0018	0.049	9	120.0018	0.002	9	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CHHO)(CCC)(CHH)	H(CCH)	C(CCC)(H)2	C(CHHO)(CCC)(CHH)	H(CCH)	120.9960	1.419	4	120.9960	2.012	4	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CHHO)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CHHO)(CHH)(COO)	H(CCH)	120.0184	0.518	7	120.0184	0.269	7	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)2	C(CHHP)(CHH)(COO)	H(CCH)	C(CCC)(H)2	C(CHHP)(CHH)(COO)	H(CCH)	120.5502	1.380	6	120.5502	1.905	6	120.1735	1.506	396	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(H)2	C(CCHH)(CHH)(NCS)	H(CCH)	C(CCN)(H)2	C(CCHH)(CHH)(NCS)	H(CCH)	120.0120	0.020	3	120.0120	0.000	3	119.9938	0.915	11	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(H)2	C(CCHO)(CHH)(NOO)	H(CCH)	C(CCN)(H)2	C(CCHO)(CHH)(NOO)	H(CCH)	119.6835	2.406	2	119.6835	5.790	2	119.9938	0.915	11	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(H)2	C(CC[6a]CH)(CHH)(NOO)	H(CCH)	C(CCN)(H)2	C(CC[6a]CH)(CHH)(NOO)	H(CCH)	120.0095	0.039	2	120.0095	0.002	2	119.9938	0.915	11	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(H)2	C(CH3)(CHH)(NCC)	H(CCH)	C(CCN)(H)2	C(CH3)(CHH)(NCC)	H(CCH)	119.9480	0.038	2	119.9480	0.001	2	119.9938	0.915	11	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(H)2	C(CHHN)(CHH)(NCC)	H(CCH)	C(CCN)(H)2	C(CHHN)(CHH)(NCC)	H(CCH)	120.3070	1.721	2	120.3070	2.962	2	119.9938	0.915	11	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[3x6]-4:C-3:C-3:	C-3:	C(CC[3x6]C)(H)2	C(C[3x6]C[6,6]3)(CCH)(CHH)	H(CCH)	C(CC[3x6]C)(H)2	C(C[3x6]C[6,6]3)(CCH)(CHH)	H(CCH)	120.0173	0.013	3	120.0173	0.000	3	120.0173	0.000	3	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5,5]-4:C[6a]-3:C-3:	C-3:	C(CC[5,5]C[6a])(H)2	C(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[5,5]C[6a])(H)2	C(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]2)(CHH)	H(CCH)	119.9965	0.005	2	119.9965	0.000	2	119.9965	0.000	2	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(COO)	H(CCH)	119.9865	0.029	2	119.9865	0.001	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	H(CCH)	120.0113	0.038	4	120.0113	0.001	4	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,5]N[5]H)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,5]N[5]H)(CHH)(COO)	H(CCH)	120.0078	0.059	4	120.0078	0.003	4	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	H(CCH)	120.0164	0.020	7	120.0164	0.000	7	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(CHH)(COO)	H(CCH)	120.0265	0.011	2	120.0265	0.000	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	H(CCH)	120.0105	0.026	2	120.0105	0.001	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]N)(CCO)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]N)(CCO)(CHH)	H(CCH)	119.9955	0.052	2	119.9955	0.003	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	H(CCH)	120.0135	0.036	2	120.0135	0.001	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]O)(CHH)(CHO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]O)(CHH)(CHO)	H(CCH)	118.3005	5.116	2	118.3005	26.173	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	H(CCH)	120.0140	0.082	2	120.0140	0.007	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6a]N[5]H)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]N[5]H)(CHH)(COO)	H(CCH)	120.1925	0.926	2	120.1925	0.857	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CC[6a]O)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CC[6a]O)(CHH)	H(CCH)	123.1610	1.409	2	123.1610	1.984	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CHH)(COO)	H(CCH)	120.0102	0.022	4	120.0102	0.000	4	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2O)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2O)(CHH)(COO)	H(CCH)	120.0100	0.031	2	120.0100	0.001	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CHH)(COO)	H(CCH)	120.0057	0.024	6	120.0057	0.001	6	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CHH)(COO)	H(CCH)	119.9717	0.024	6	119.9717	0.001	6	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]O[5]O)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]O)(CHH)(COO)	H(CCH)	121.3585	3.079	2	121.3585	9.483	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[6a]C[5]2)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[6a]C[5]2)(CHH)(COO)	H(CCH)	119.9945	0.029	2	119.9945	0.001	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	H(CCH)	120.0250	0.042	2	120.0250	0.002	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]N[5,5]C[5]H)(CHH)(COO)	H(CCH)	C(CC[5]C)(H)2	C(C[5]N[5,5]C[5]H)(CHH)(COO)	H(CCH)	120.0120	0.007	2	120.0120	0.000	2	120.1067	1.162	59	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:N-3:	C-3:	C(CC[5]N)(H)2	C(C[5]C[5]2Co)(CHH)(NCC)	H(CCH)	C(CC[5]N)(H)2	C(C[5]C[5]2Co)(CHH)(NCC)	H(CCH)	119.9755	0.013	2	119.9755	0.000	2	119.9957	0.002	10	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:N-3:	C-3:	C(CC[5]N)(H)2	C(C[5]C[5]2Fe)(CHH)(NCC)	H(CCH)	C(CC[5]N)(H)2	C(C[5]C[5]2Fe)(CHH)(NCC)	H(CCH)	119.9958	0.055	4	119.9958	0.003	4	119.9957	0.002	10	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:N-3:	C-3:	C(CC[5]N)(H)2	C(C[5]C[5]2Fe)(CHH)(NSS)	H(CCH)	C(CC[5]N)(H)2	C(C[5]C[5]2Fe)(CHH)(NSS)	H(CCH)	120.0300	0.007	2	120.0300	0.000	2	119.9957	0.002	10	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:N-3:	C-3:	C(CC[5]N)(H)2	C(C[5]C[5]2Zr)(CHH)(NCC)	H(CCH)	C(CC[5]N)(H)2	C(C[5]C[5]2Zr)(CHH)(NCC)	H(CCH)	119.9815	0.035	2	119.9815	0.001	2	119.9957	0.002	10	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(H)2	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[6a]C[5])(H)2	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHH)	H(CCH)	119.9999	0.031	7	119.9999	0.001	7	120.1723	5.703	29	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[6a]C[5])(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHH)	H(CCH)	120.4535	0.979	8	120.4535	0.959	8	120.1723	5.703	29	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CHH)	H(CCH)	121.8510	1.286	2	121.8510	1.653	2	120.1723	5.703	29	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHH)	H(CCH)	120.5990	1.626	4	120.5990	2.644	4	120.1723	5.703	29	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[6a]C[5])(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	H(CCH)	119.4090	4.334	8	119.4090	18.786	8	120.1723	5.703	29	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:N[6]-3:C-3:	C-3:	C(CC[5]N[6])(H)2	C(C[5]C[5]2Zr)(N[6]C[6]2)(CHH)	H(CCH)	C(CC[5]N[6])(H)2	C(C[5]C[5]2Zr)(N[6]C[6]2)(CHH)	H(CCH)	119.9857	0.034	4	119.9857	0.001	4	119.9857	0.001	4	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	H(CCH)	119.9980	0.000	1	119.9980	0.000	1	120.2691	0.566	51	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	H(CCH)	119.9990	0.020	2	119.9990	0.000	2	120.2691	0.566	51	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2C)(CCO)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2C)(CCO)(CHH)	H(CCH)	122.5105	1.986	2	122.5105	3.945	2	120.2691	0.566	51	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	H(CCH)	120.0919	0.386	34	120.0919	0.149	34	120.2691	0.566	51	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CCO)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CCO)(CHH)	H(CCH)	120.0290	0.000	1	120.0290	0.000	1	120.2691	0.566	51	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CHH)(CHO)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CHH)(CHO)	H(CCH)	120.7630	0.714	2	120.7630	0.510	2	120.2691	0.566	51	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]O[6]H)(CHH)(COO)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]O[6]H)(CHH)(COO)	H(CCH)	120.4477	0.919	9	120.4477	0.845	9	120.2691	0.566	51	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[6]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[6a]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CHH)	H(CCH)	119.0885	0.121	2	119.0885	0.015	2	119.5325	0.268	4	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[6]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[6])(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHH)	H(CCH)	C(CC[6a]C[6])(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHH)	H(CCH)	119.9765	0.035	2	119.9765	0.001	2	119.5325	0.268	4	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	P-4:C-3:C-3:	C-3:	C(CCP)(H)2	C(PC3)(CCH)(CHH)	H(CCH)	C(CCP)(H)2	C(PC3)(CCH)(CHH)	H(CCH)	119.9977	0.022	4	119.9977	0.000	4	117.6985	27.816	11	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	P-4:C-3:C-3:	C-3:	C(CCP)(H)2	C(PC[6a]2O)(CCC)(CHH)	H(CCH)	C(CCP)(H)2	C(PC[6a]2O)(CCC)(CHH)	H(CCH)	120.0020	0.007	2	120.0020	0.000	2	117.6985	27.816	11	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	P-4:C-3:C-3:	C-3:	C(CCP)(H)2	C(PC[6a]2O)(CC[6]S)(CHH)	H(CCH)	C(CCP)(H)2	C(PC[6a]2O)(CC[6]S)(CHH)	H(CCH)	120.0020	0.000	1	120.0020	0.000	1	117.6985	27.816	11	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	P-4:C-3:C-3:	C-3:	C(CCP)(H)2	C(PC[6a]3)(CCC)(CHH)	H(CCH)	C(CCP)(H)2	C(PC[6a]3)(CCC)(CHH)	H(CCH)	107.3700	4.169	2	107.3700	17.381	2	117.6985	27.816	11	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	P-4:C-3:C-3:	C-3:	C(CCP)(H)2	C(PC[6a]3)(CCH)(CHH)	H(CCH)	C(CCP)(H)2	C(PC[6a]3)(CCH)(CHH)	H(CCH)	119.9735	0.046	2	119.9735	0.002	2	117.6985	27.816	11	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	P-4:C-3:N-3:	C-3:	C(CNP)(H)2	C(PO3)(CHH)(NCH)	H(CCH)	C(CNP)(H)2	C(PO3)(CHH)(NCH)	H(CCH)	119.9820	0.006	4	119.9820	0.000	4	119.9820	0.000	4	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	Si-4:C-3:C-3:	C-3:	C(CSiC)(H)2	C(SiC3)(CCC)(CHH)	H(CCH)	C(CSiC)(H)2	C(SiC3)(CCC)(CHH)	H(CCH)	121.0645	2.299	2	121.0645	5.285	2	121.0645	5.285	2	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)(O)	C(CCCH)(CHH)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CCCH)(CHH)(CHO)	H(CCO)	117.4700	0.020	2	117.4700	0.000	2	116.9346	1.832	19	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)(O)	C(CCHH)(CCC)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CCHH)(CCC)(CHO)	H(CCO)	117.5340	0.563	2	117.5340	0.317	2	116.9346	1.832	19	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)(O)	C(CCHH)(CCH)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CCHH)(CCH)(CHO)	H(CCO)	116.5782	1.233	6	116.5782	1.520	6	116.9346	1.832	19	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)(O)	C(CCHH)(CHN)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CCHH)(CHN)(CHO)	H(CCO)	112.4420	0.000	1	112.4420	0.000	1	116.9346	1.832	19	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)(O)	C(CC[5]HH)(CC[6]H)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CC[5]HH)(CC[6]H)(CHO)	H(CCO)	117.4090	0.000	1	117.4090	0.000	1	116.9346	1.832	19	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)(O)	C(CC[5a]C[6a]H)(CHH)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CC[5a]C[6a]H)(CHH)(CHO)	H(CCO)	117.5310	0.170	2	117.5310	0.029	2	116.9346	1.832	19	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)(O)	C(CC[6a]CH)(CCH)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CC[6a]CH)(CCH)(CHO)	H(CCO)	117.7040	0.000	1	117.7040	0.000	1	116.9346	1.832	19	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C-4:C-3:C-3:	C-3:	C(CCC)(H)(O)	C(CH3)(CCH)(CHO)	H(CCO)	C(CCC)(H)(O)	C(CH3)(CCH)(CHO)	H(CCO)	117.4158	0.332	4	117.4158	0.110	4	116.9346	1.832	19	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)(O)	C(C[5]C[5,6a]C[5]O)(CHH)(CHO)	H(CCO)	C(CC[5]C)(H)(O)	C(C[5]C[5,6a]C[5]O)(CHH)(CHO)	H(CCO)	117.7310	0.000	1	117.7310	0.000	1	117.6340	0.138	3	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(H)(O)	C(C[5]C[5]2H)(CCH)(CHO)	H(CCO)	C(CC[5]C)(H)(O)	C(C[5]C[5]2H)(CCH)(CHO)	H(CCO)	117.5855	0.513	2	117.5855	0.263	2	117.6340	0.138	3	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(H)(O)	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	H(CCO)	C(CC[6]C)(H)(O)	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	H(CCO)	118.8710	0.000	1	118.8710	0.000	1	116.7973	4.171	3	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(H)(O)	C(C[6]C[6]2H)(CCH)(CHO)	H(CCO)	C(CC[6]C)(H)(O)	C(C[6]C[6]2H)(CCH)(CHO)	H(CCO)	116.7330	0.000	1	116.7330	0.000	1	116.7973	4.171	3	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(H)(O)	C(C[6]C[6]N[6]H)(CHH)(CHO)	H(CCO)	C(CC[6]C)(H)(O)	C(C[6]C[6]N[6]H)(CHH)(CHO)	H(CCO)	114.7880	0.000	1	114.7880	0.000	1	116.7973	4.171	3	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:O-1:	P-4:C-3:C-3:	C-3:	C(CCP)(H)(O)	C(PC[6a]3)(CCH)(CHO)	H(CCO)	C(CCP)(H)(O)	C(PC[6a]3)(CCH)(CHO)	H(CCO)	116.9560	0.246	2	116.9560	0.061	2	116.9560	0.061	2	119.9810	2.482	615	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:4:	3:	C-3:Br-1:H-1:	B[5,5]-4:C-3:C-4:	C-3:	C(CB[5,5]C)(Br)(H)	C(B[5,5]N[5,5]O[5]2)(CBrH)(CH3)	H(CBrC)	C(CB[5,5]C)(Br)(H)	C(B[5,5]N[5,5]O[5]2)(CBrH)(CH3)	H(CBrC)	118.0760	0.000	1	118.0760	0.000	1	118.0760	0.000	1	119.8363	17.279	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:4:	3:	C-3:Br-1:H-1:	C-4:C-3:C-4:	C-3:	C(CCC)(Br)(H)	C(CCHH)(CBrH)(CH3)	H(CBrC)	C(CCC)(Br)(H)	C(CCHH)(CBrH)(CH3)	H(CBrC)	117.7150	0.000	1	117.7150	0.000	1	117.6040	0.025	2	119.8363	17.279	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:4:	3:	C-3:Br-1:H-1:	C-4:C-3:C-4:	C-3:	C(CCC)(Br)(H)	C(CN[6]HH)(CBrH)(CH3)	H(CBrC)	C(CCC)(Br)(H)	C(CN[6]HH)(CBrH)(CH3)	H(CBrC)	117.4930	0.000	1	117.4930	0.000	1	117.6040	0.025	2	119.8363	17.279	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:3:4:	3:	C-3:Cl-1:H-1:	C-4:C-3:C-4:	C-3:	C(CCC)(Cl)(H)	C(CClCH)(CClH)(CH3)	H(CClC)	C(CCC)(Cl)(H)	C(CClCH)(CClH)(CH3)	H(CClC)	126.0610	0.000	1	126.0610	0.000	1	126.0610	0.000	1	119.8363	17.279	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CAsHH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CAsHH)(CH3)(CHH)	H(CCH)	119.9872	0.050	21	119.9872	0.002	21	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC3)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC3)(CH3)(CHH)	H(CCH)	120.5070	2.812	4	120.5070	7.905	4	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCCH)(CCHH)(CHH)	H(CCH)	C(CCC)(H)2	C(CCCH)(CCHH)(CHH)	H(CCH)	119.9925	0.065	13	119.9925	0.004	13	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCCH)(CCHO)(CHH)	H(CCH)	C(CCC)(H)2	C(CCCH)(CCHO)(CHH)	H(CCH)	119.9915	0.049	4	119.9915	0.002	4	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCCH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CCCH)(CH3)(CHH)	H(CCH)	120.1232	0.879	60	120.1232	0.772	60	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCCH)(CHHO)(CHH)	H(CCH)	C(CCC)(H)2	C(CCCH)(CHHO)(CHH)	H(CCH)	121.6423	1.062	4	121.6423	1.127	4	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCCO)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CCCO)(CH3)(CHH)	H(CCH)	120.7878	1.277	5	120.7878	1.630	5	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCFH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CCFH)(CH3)(CHH)	H(CCH)	119.9877	0.044	3	119.9877	0.002	3	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCHH)(CC3)(CHH)	H(CCH)	C(CCC)(H)2	C(CCHH)(CC3)(CHH)	H(CCH)	120.0040	0.013	2	120.0040	0.000	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCHH)(CCHO)(CHH)	H(CCH)	C(CCC)(H)2	C(CCHH)(CCHO)(CHH)	H(CCH)	120.4778	2.979	17	120.4778	8.876	17	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCHH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CCHH)(CH3)(CHH)	H(CCH)	119.9989	0.216	30	119.9989	0.047	30	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCHH)(CHHN)(CHH)	H(CCH)	C(CCC)(H)2	C(CCHH)(CHHN)(CHH)	H(CCH)	120.0062	0.037	5	120.0062	0.001	5	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCHH)(CHHO)(CHH)	H(CCH)	C(CCC)(H)2	C(CCHH)(CHHO)(CHH)	H(CCH)	119.5010	0.999	8	119.5010	0.999	8	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCHH)2(CHH)	H(CCH)	C(CCC)(H)2	C(CCHH)2(CHH)	H(CCH)	120.2837	0.797	6	120.2837	0.634	6	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCHN)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CCHN)(CH3)(CHH)	H(CCH)	119.9980	0.000	1	119.9980	0.000	1	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCHO)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CCHO)(CH3)(CHH)	H(CCH)	120.3569	1.533	12	120.3569	2.349	12	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCHO)(CHHO)(CHH)	H(CCH)	C(CCC)(H)2	C(CCHO)(CHHO)(CHH)	H(CCH)	122.6750	1.438	2	122.6750	2.069	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5,5]HH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5,5]HH)(CH3)(CHH)	H(CCH)	118.7815	0.728	2	118.7815	0.529	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5]2H)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5]2H)(CH3)(CHH)	H(CCH)	119.9635	0.045	2	119.9635	0.002	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5]CO)(CHHO)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5]CO)(CHHO)(CHH)	H(CCH)	120.0085	0.028	2	120.0085	0.001	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5]HH)(CCHH)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5]HH)(CCHH)(CHH)	H(CCH)	119.9755	0.021	2	119.9755	0.000	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5]HH)(CCHO)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5]HH)(CCHO)(CHH)	H(CCH)	120.8708	1.305	6	120.8708	1.704	6	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5]HH)(CC[5]HO)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5]HH)(CC[5]HO)(CHH)	H(CCH)	119.9840	0.052	4	119.9840	0.003	4	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5]HH)(CC[6]HH)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5]HH)(CC[6]HH)(CHH)	H(CCH)	119.9877	0.018	3	119.9877	0.000	3	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5]HH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5]HH)(CH3)(CHH)	H(CCH)	120.3347	1.385	32	120.3347	1.919	32	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5]HO)(CCHH)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5]HO)(CCHH)(CHH)	H(CCH)	121.4560	1.704	8	121.4560	2.902	8	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5]HO)(CCHO)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5]HO)(CCHO)(CHH)	H(CCH)	119.9382	0.263	21	119.9382	0.069	21	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[5a]C[5]H)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[5a]C[5]H)(CH3)(CHH)	H(CCH)	119.9965	0.036	2	119.9965	0.001	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6]CO)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6]CO)(CH3)(CHH)	H(CCH)	119.9981	0.059	7	119.9981	0.003	7	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6]HH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6]HH)(CH3)(CHH)	H(CCH)	120.0605	1.599	20	120.0605	2.555	20	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6]HH)2(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6]HH)2(CHH)	H(CCH)	119.9975	0.037	2	119.9975	0.001	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6]HO)(CCHH)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6]HO)(CCHH)(CHH)	H(CCH)	124.4865	5.346	2	124.4865	28.584	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]CH)(CCCH)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]CH)(CCCH)(CHH)	H(CCH)	120.0270	0.039	3	120.0270	0.002	3	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]CH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]CH)(CH3)(CHH)	H(CCH)	120.0013	0.033	6	120.0013	0.001	6	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]HH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]HH)(CH3)(CHH)	H(CCH)	119.9952	0.022	8	119.9952	0.000	8	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]HH)2(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]HH)2(CHH)	H(CCH)	121.0511	2.806	8	121.0511	7.874	8	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CC[6a]HN)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CC[6a]HN)(CH3)(CHH)	H(CCH)	119.4905	4.051	4	119.4905	16.408	4	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCo2C)(CCHH)(CHH)	H(CCH)	C(CCC)(H)2	C(CCo2C)(CCHH)(CHH)	H(CCH)	119.9997	0.024	6	119.9997	0.001	6	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CHHN)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CHHN)(CH3)(CHH)	H(CCH)	119.2750	2.060	6	119.2750	4.242	6	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CHHN)(CHHO)(CHH)	H(CCH)	C(CCC)(H)2	C(CHHN)(CHHO)(CHH)	H(CCH)	119.9925	0.036	6	119.9925	0.001	6	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CHHN)2(CHH)	H(CCH)	C(CCC)(H)2	C(CHHN)2(CHH)	H(CCH)	120.0220	0.060	3	120.0220	0.004	3	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CHHO)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CHHO)(CH3)(CHH)	H(CCH)	119.3182	1.921	16	119.3182	3.689	16	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CHHO)2(CHH)	H(CCH)	C(CCC)(H)2	C(CHHO)2(CHH)	H(CCH)	121.0195	1.070	2	121.0195	1.145	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CHHP)2(CHH)	H(CCH)	C(CCC)(H)2	C(CHHP)2(CHH)	H(CCH)	119.9835	0.067	2	119.9835	0.005	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CHHS)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CHHS)(CH3)(CHH)	H(CCH)	120.0062	0.027	6	120.0062	0.001	6	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CHHU)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CHHU)(CH3)(CHH)	H(CCH)	121.1915	1.913	2	121.1915	3.659	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CInHH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CInHH)(CH3)(CHH)	H(CCH)	119.5812	2.609	12	119.5812	6.809	12	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CMnCH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CMnCH)(CH3)(CHH)	H(CCH)	122.4500	0.236	2	122.4500	0.056	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CN[5]CC)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CN[5]CC)(CH3)(CHH)	H(CCH)	121.5053	3.534	4	121.5053	12.490	4	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CN[5]HH)(CCHH)(CHH)	H(CCH)	C(CCC)(H)2	C(CN[5]HH)(CCHH)(CHH)	H(CCH)	119.6110	3.935	3	119.6110	15.485	3	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CN[5]HH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CN[5]HH)(CH3)(CHH)	H(CCH)	119.9843	0.027	6	119.9843	0.001	6	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CN[5a]HH)2(CHH)	H(CCH)	C(CCC)(H)2	C(CN[5a]HH)2(CHH)	H(CCH)	120.0061	0.054	18	120.0061	0.003	18	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CN[6]HH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CN[6]HH)(CH3)(CHH)	H(CCH)	119.9862	0.038	6	119.9862	0.001	6	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CNiCC)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CNiCC)(CH3)(CHH)	H(CCH)	118.4200	1.488	4	118.4200	2.215	4	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CNiHH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CNiHH)(CH3)(CHH)	H(CCH)	119.9805	0.008	2	119.9805	0.000	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CPdCC)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CPdCC)(CH3)(CHH)	H(CCH)	120.0050	0.027	2	120.0050	0.001	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CPdHH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CPdHH)(CH3)(CHH)	H(CCH)	120.0065	0.071	2	120.0065	0.005	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CRuHH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CRuHH)(CH3)(CHH)	H(CCH)	120.0115	0.013	2	120.0115	0.000	2	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)2	C(CSeHH)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CSeHH)(CH3)(CHH)	H(CCH)	120.0161	0.028	8	120.0161	0.001	8	120.1363	2.002	461	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:P-4:C-3:	C-3:	C(CCP)(H)2	C(CCHH)(PO3)(CHH)	H(CCH)	C(CCP)(H)2	C(CCHH)(PO3)(CHH)	H(CCH)	119.9745	0.063	2	119.9745	0.004	2	121.1705	7.658	6	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:P-4:C-3:	C-3:	C(CCP)(H)2	C(CC[6a]HN)(PO3)(CHH)	H(CCH)	C(CCP)(H)2	C(CC[6a]HN)(PO3)(CHH)	H(CCH)	119.9405	0.049	2	119.9405	0.002	2	121.1705	7.658	6	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:P-4:C-3:	C-3:	C(CCP)(H)2	C(CC[6a]HP)(PC[6a]2O)(CHH)	H(CCH)	C(CCP)(H)2	C(CC[6a]HP)(PC[6a]2O)(CHH)	H(CCH)	123.5965	4.542	2	123.5965	20.627	2	121.1705	7.658	6	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:P[4]-4:C-3:	C-3:	C(CP[4]C)(H)2	C(CC[6a]P[6]H)(P[4]N[4]2N)(CHH)	H(CCH)	C(CP[4]C)(H)2	C(CC[6a]P[6]H)(P[4]N[4]2N)(CHH)	H(CCH)	120.0273	0.035	4	120.0273	0.001	4	120.0273	0.001	4	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:Si-4:C-3:	C-3:	C(CSiC)(H)2	C(CCCH)(SiC3)(CHH)	H(CCH)	C(CSiC)(H)2	C(CCCH)(SiC3)(CHH)	H(CCH)	120.3470	0.690	2	120.3470	0.476	2	120.3470	0.476	2	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[4]-4:C-4:C-3:	C-3:	C(CC[4]C)(H)2	C(C[4]C[4,5]C[4]O)(CH3)(CHH)	H(CCH)	C(CC[4]C)(H)2	C(C[4]C[4,5]C[4]O)(CH3)(CHH)	H(CCH)	120.1257	0.401	6	120.1257	0.161	6	120.0116	0.092	44	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[4]-4:C-4:C-3:	C-3:	C(CC[4]C)(H)2	C(C[4]C[4]2C)(CH3)(CHH)	H(CCH)	C(CC[4]C)(H)2	C(C[4]C[4]2C)(CH3)(CHH)	H(CCH)	120.0050	0.021	4	120.0050	0.000	4	120.0116	0.092	44	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[4]-4:C-4:C-3:	C-3:	C(CC[4]C)(H)2	C(C[4]C[4]2H)(CCHH)(CHH)	H(CCH)	C(CC[4]C)(H)2	C(C[4]C[4]2H)(CCHH)(CHH)	H(CCH)	119.9923	0.303	34	119.9923	0.092	34	120.0116	0.092	44	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5,5,6]-4:C-4:C-3:	C-3:	C(CC[5,5,6]C)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CHH)	H(CCH)	C(CC[5,5,6]C)(H)2	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CHH)	H(CCH)	120.0220	0.042	2	120.0220	0.002	2	120.0220	0.002	2	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5,5]-4:C-4:C-3:	C-3:	C(CC[5,5]C)(H)2	C(C[5,5]C[5,5,6]2N[5a])(CH3)(CHH)	H(CCH)	C(CC[5,5]C)(H)2	C(C[5,5]C[5,5,6]2N[5a])(CH3)(CHH)	H(CCH)	119.5125	2.546	2	119.5125	6.484	2	119.5125	6.484	2	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5,6]-4:C-4:C-3:	C-3:	C(CC[5,6]C)(H)2	C(C[5,6]C[5,6]2H)(CH3)(CHH)	H(CCH)	C(CC[5,6]C)(H)2	C(C[5,6]C[5,6]2H)(CH3)(CHH)	H(CCH)	120.0023	0.042	11	120.0023	0.002	11	120.1092	0.109	19	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5,6]-4:C-4:C-3:	C-3:	C(CC[5,6]C)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	H(CCH)	C(CC[5,6]C)(H)2	C(C[5,6]C[5,6]C[6]O[5])(CH3)(CHH)	H(CCH)	120.0123	0.054	6	120.0123	0.003	6	120.1092	0.109	19	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5,6]-4:C-4:C-3:	C-3:	C(CC[5,6]C)(H)2	C(C[5,6]O[5,6]C[5]O[6])(CH3)(CHH)	H(CCH)	C(CC[5,6]C)(H)2	C(C[5,6]O[5,6]C[5]O[6])(CH3)(CHH)	H(CCH)	120.9880	0.448	2	120.9880	0.201	2	120.1092	0.109	19	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,5]C[5]H)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,5]C[5]H)(CH3)(CHH)	H(CCH)	119.9655	0.019	2	119.9655	0.000	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,5]C[5]H)(CHHO)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,5]C[5]H)(CHHO)(CHH)	H(CCH)	119.9940	0.014	2	119.9940	0.000	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,5]O[5]H)(CC[6]HH)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,5]O[5]H)(CC[6]HH)(CHH)	H(CCH)	119.9533	0.100	3	119.9533	0.010	3	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CBrHH)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CBrHH)(CHH)	H(CCH)	119.9825	0.022	2	119.9825	0.000	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CCHH)(CHH)	H(CCH)	119.9857	0.014	4	119.9857	0.000	4	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5]H)(CH3)(CHH)	H(CCH)	119.9902	0.041	32	119.9902	0.002	32	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(CH3)(CHH)	H(CCH)	120.0095	0.033	4	120.0095	0.001	4	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]H)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]H)(CH3)(CHH)	H(CCH)	119.9370	0.020	2	119.9370	0.000	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CCHH)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CCHH)(CHH)	H(CCH)	119.9870	0.018	2	119.9870	0.000	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CH3)(CHH)	H(CCH)	120.0045	0.037	21	120.0045	0.001	21	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2Fe)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2Fe)(CH3)(CHH)	H(CCH)	120.0490	0.078	2	120.0490	0.006	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHH)(CHH)	H(CCH)	120.7079	1.924	39	120.7079	3.701	39	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHO)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CCHO)(CHH)	H(CCH)	120.0200	0.038	2	120.0200	0.001	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CH3)(CHH)	H(CCH)	120.3036	1.312	58	120.3036	1.721	58	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CHHO)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CHHO)(CHH)	H(CCH)	120.0065	0.019	2	120.0065	0.000	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2Ru)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2Ru)(CH3)(CHH)	H(CCH)	119.9910	0.007	2	119.9910	0.000	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]2Zr)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]2Zr)(CH3)(CHH)	H(CCH)	120.0023	0.037	6	120.0023	0.001	6	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]N[5]C)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]C)(CH3)(CHH)	H(CCH)	120.0150	0.049	2	120.0150	0.002	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CCHH)(CHH)	H(CCH)	119.7945	1.650	2	119.7945	2.721	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CH3)(CHH)	H(CCH)	120.0653	0.544	6	120.0653	0.295	6	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CH3)(CHH)	H(CCH)	119.9430	0.223	21	119.9430	0.050	21	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]C[5]P[5]H)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]C[5]P[5]H)(CH3)(CHH)	H(CCH)	120.0100	0.008	2	120.0100	0.000	2	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]N[5,5a]C[5]H)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]N[5,5a]C[5]H)(CH3)(CHH)	H(CCH)	120.0135	0.096	8	120.0135	0.009	8	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(H)2	C(C[5]N[5,6]C[5]H)(CH3)(CHH)	H(CCH)	C(CC[5]C)(H)2	C(C[5]N[5,6]C[5]H)(CH3)(CHH)	H(CCH)	119.9792	0.022	4	119.9792	0.001	4	120.1895	1.140	230	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[5]-4:C[6]-4:C-3:	C-3:	C(CC[5]C[6])(H)2	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CHH)	H(CCH)	C(CC[5]C[6])(H)2	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CHH)	H(CCH)	120.0203	0.048	3	120.0203	0.002	3	120.0203	0.002	3	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6,6]-4:C-4:C-3:	C-3:	C(CC[6,6]C)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(CHH)	H(CCH)	C(CC[6,6]C)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(CHH)	H(CCH)	121.1505	1.442	4	121.1505	2.079	4	121.1505	2.079	4	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6,6]-4:C[5]-4:C-3:	C-3:	C(CC[6,6]C[5])(H)2	C(C[6,6]C[5,6,6]2H)(C[5]C[5]2H)(CHH)	H(CCH)	C(CC[6,6]C[5])(H)2	C(C[6,6]C[5,6,6]2H)(C[5]C[5]2H)(CHH)	H(CCH)	117.4945	7.200	2	117.4945	51.847	2	117.4945	51.847	2	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[3,6]C[6]H)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[3,6]C[6]H)(CH3)(CHH)	H(CCH)	119.9790	0.000	1	119.9790	0.000	1	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	H(CCH)	120.0196	0.047	10	120.0196	0.002	10	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[5,6]C[6]O)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[5,6]C[6]O)(CH3)(CHH)	H(CCH)	120.4940	4.697	2	120.4940	22.058	2	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[5a,6]C[6]H)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[5a,6]C[6]H)(CH3)(CHH)	H(CCH)	119.9850	0.038	2	119.9850	0.001	2	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CHH)	H(CCH)	120.0115	0.023	2	120.0115	0.001	2	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	H(CCH)	119.9998	0.026	22	119.9998	0.001	22	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(CHH)	H(CCH)	119.9885	0.026	4	119.9885	0.001	4	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6,6]O[6]H)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6,6]O[6]H)(CH3)(CHH)	H(CCH)	120.0090	0.049	2	120.0090	0.002	2	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6,6a]C[5,6]H)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6,6a]C[5,6]H)(CH3)(CHH)	H(CCH)	119.9990	0.007	2	119.9990	0.000	2	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2C)(CHHO)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2C)(CHHO)(CHH)	H(CCH)	122.1620	1.403	2	122.1620	1.968	2	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2C)(CN[5a]HH)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2C)(CN[5a]HH)(CHH)	H(CCH)	121.7670	0.892	2	121.7670	0.796	2	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CCHH)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CCHH)(CHH)	H(CCH)	122.6767	3.265	4	122.6767	10.659	4	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CC[6]HH)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CC[6]HH)(CHH)	H(CCH)	120.0083	0.028	4	120.0083	0.001	4	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	H(CCH)	120.0057	3.779	233	120.0057	14.281	233	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CSiHH)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CSiHH)(CHH)	H(CCH)	119.9965	0.023	2	119.9965	0.001	2	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2N)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2N)(CH3)(CHH)	H(CCH)	122.2980	0.270	2	122.2980	0.073	2	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]2O)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]2O)(CH3)(CHH)	H(CCH)	119.9982	0.029	6	119.9982	0.001	6	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CH3)(CHH)	H(CCH)	119.6358	1.327	16	119.6358	1.762	16	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(H)2	C(C[6]C[6]O[6]H)(CH3)(CHH)	H(CCH)	C(CC[6]C)(H)2	C(C[6]C[6]O[6]H)(CH3)(CHH)	H(CCH)	120.3382	0.605	6	120.3382	0.366	6	120.0674	10.697	324	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:C[5]-4:C-3:	C-3:	C(CC[5]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	H(CCH)	C(CC[5]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	H(CCH)	120.4026	1.145	13	120.4026	1.312	13	120.4026	1.312	13	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C[6]-4:Si-4:C-3:	C-3:	C(CC[6]Si)(H)2	C(C[6]C[6]2H)(SiC3)(CHH)	H(CCH)	C(CC[6]Si)(H)2	C(C[6]C[6]2H)(SiC3)(CHH)	H(CCH)	120.0085	0.037	2	120.0085	0.001	2	120.0085	0.001	2	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	P-4:C-4:C-3:	C-3:	C(CCP)(H)2	C(PC[6a]2Fe)(CFeCH)(CHH)	H(CCH)	C(CCP)(H)2	C(PC[6a]2Fe)(CFeCH)(CHH)	H(CCH)	121.0080	1.861	6	121.0080	3.463	6	121.5588	2.582	10	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	P-4:C-4:C-3:	C-3:	C(CCP)(H)2	C(POsCC)(CCHH)(CHH)	H(CCH)	C(CCP)(H)2	C(POsCC)(CCHH)(CHH)	H(CCH)	122.3850	0.675	4	122.3850	0.456	4	121.5588	2.582	10	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	P-4:P-4:C-3:	C-3:	C(CPP)(H)2	C(PC[6a]2Pt)2(CHH)	H(CCH)	C(CPP)(H)2	C(PC[6a]2Pt)2(CHH)	H(CCH)	120.0046	0.043	5	120.0046	0.002	5	118.0219	17.348	21	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	P-4:P-4:C-3:	C-3:	C(CPP)(H)2	C(PC[6a]2Re)2(CHH)	H(CCH)	C(CPP)(H)2	C(PC[6a]2Re)2(CHH)	H(CCH)	117.4023	4.627	16	117.4023	21.410	16	118.0219	17.348	21	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	P[5]-4:C-4:C-3:	C-3:	C(CP[5]C)(H)2	C(P[5]N[5]2O)(CCHH)(CHH)	H(CCH)	C(CP[5]C)(H)2	C(P[5]N[5]2O)(CCHH)(CHH)	H(CCH)	121.2230	0.325	2	121.2230	0.106	2	121.2230	0.106	2	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	S-4:C-4:C-3:	C-3:	C(CCS)(H)2	C(SC[6a]OO)(CCHH)(CHH)	H(CCH)	C(CCS)(H)2	C(SC[6a]OO)(CCHH)(CHH)	H(CCH)	119.9873	0.021	4	119.9873	0.000	4	119.9873	0.000	4	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	Si-4:C-4:C-3:	C-3:	C(CSiC)(H)2	C(SiC[6a]CC)(CCCH)(CHH)	H(CCH)	C(CSiC)(H)2	C(SiC[6a]CC)(CCCH)(CHH)	H(CCH)	120.0175	0.036	6	120.0175	0.001	6	120.0139	0.001	10	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	Si-4:C-4:C-3:	C-3:	C(CSiC)(H)2	C(SiC[6a]CC)(CC[4]HH)(CHH)	H(CCH)	C(CSiC)(H)2	C(SiC[6a]CC)(CC[4]HH)(CHH)	H(CCH)	120.0075	0.028	2	120.0075	0.001	2	120.0139	0.001	10	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	Si-4:C-4:C-3:	C-3:	C(CSiC)(H)2	C(SiC[6a]CC)(CC[5]CH)(CHH)	H(CCH)	C(CSiC)(H)2	C(SiC[6a]CC)(CC[5]CH)(CHH)	H(CCH)	120.0095	0.035	2	120.0095	0.001	2	120.0139	0.001	10	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:I-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)(I)	C(CCHH)(CC3)(CHI)	H(CCI)	C(CCC)(H)(I)	C(CCHH)(CC3)(CHI)	H(CCI)	118.0000	0.000	1	118.0000	0.000	1	117.5095	0.113	6	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:I-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)(I)	C(CCHH)(CH3)(CHI)	H(CCI)	C(CCC)(H)(I)	C(CCHH)(CH3)(CHI)	H(CCI)	117.4822	0.243	4	117.4822	0.059	4	117.5095	0.113	6	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:I-1:	C-4:C-4:C-3:	C-3:	C(CCC)(H)(I)	C(CC[5]HO)(CH3)(CHI)	H(CCI)	C(CCC)(H)(I)	C(CC[5]HO)(CH3)(CHI)	H(CCI)	117.1280	0.000	1	117.1280	0.000	1	117.5095	0.113	6	120.0890	4.545	1171	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	5:3:1:	3:	C-3:H-1:H-1:	Ge[3,4,4,5,5,4x6]-5:C-3:H-1:	C-3:	C(CGe[3,4,4,5,5,4x6]H)(H)2	C(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]2)(CHH)(H)	H(CCH)	C(CGe[3,4,4,5,5,4x6]H)(H)2	C(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]2)(CHH)(H)	H(CCH)	120.0100	0.080	4	120.0100	0.006	4	120.0100	0.006	4	120.0946	0.568	10	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	5:3:1:	3:	C-3:H-1:H-1:	P-5:C-3:H-1:	C-3:	C(CHP)(H)2	C(PHoO3)(CHH)(H)	H(CCH)	C(CHP)(H)2	C(PHoO3)(CHH)(H)	H(CCH)	120.0030	0.010	2	120.0030	0.000	2	120.0030	0.000	2	120.0946	0.568	10	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	5:3:1:	3:	C-3:H-1:H-1:	Si-5:C-3:H-1:	C-3:	C(CSiH)(H)2	C(SiC[5]2ZrC)(CHH)(H)	H(CCH)	C(CSiH)(H)2	C(SiC[5]2ZrC)(CHH)(H)	H(CCH)	120.2250	1.288	4	120.2250	1.660	4	120.2250	1.660	4	120.0946	0.568	10	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	5:4:3:	3:	C-3:H-1:H-1:	C-5:C-4:C-3:	C-3:	C(CCC)(H)2	C(CCo2RuC)(CH3)(CHH)	H(CCH)	C(CCC)(H)2	C(CCo2RuC)(CH3)(CHH)	H(CCH)	119.9895	0.065	4	119.9895	0.004	4	119.9898	0.003	5	119.9898	0.003	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:1:1:	5:4:3:	3:	C-3:H-1:H-1:	C-5:C-4:C-3:	C-3:	C(CCC)(H)2	C(CLi2HH)(CHHN)(CHH)	H(CCH)	C(CCC)(H)2	C(CLi2HH)(CHHN)(CHH)	H(CCH)	119.9910	0.000	1	119.9910	0.000	1	119.9898	0.003	5	119.9898	0.003	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	2:2:3:	3:	C-3:N-2:H-1:	S-2:S-2:C-3:	C-3:	C(CSS)(NC)(H)	C(SC[6a])2(CHN)	H(CCN)	C(CSS)(NC)(H)	C(SC[6a])2(CHN)	H(CCN)	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	2:3:1:	3:	C-3:C-2:H-1:	O-2:C-3:O-1:	C-3:	C(COO)(CC)(H)	C(OC[5])(CCH)(O)	H(CCC)	C(COO)(CC)(H)	C(OC[5])(CCH)(O)	H(CCC)	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	120.1527	0.876	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	2:3:1:	3:	C-3:N-2:H-1:	N-2:C-3:H-1:	C-3:	C(CHN)(NN)(H)	C(NN[5a])(CHN)(H)	H(CCN)	C(CHN)(NN)(H)	C(NN[5a])(CHN)(H)	H(CCN)	119.1930	0.000	1	119.1930	0.000	1	119.1930	0.000	1	120.1527	0.876	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	2:3:1:	3:	C-3:N-2:H-1:	O-2:C-3:O-1:	C-3:	C(COO)(NN)(H)	C(OC[6a])(CHN)(O)	H(CCN)	C(COO)(NN)(H)	C(OC[6a])(CHN)(O)	H(CCN)	121.1390	0.000	1	121.1390	0.000	1	121.1390	0.000	1	120.1527	0.876	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	2:3:1:	3:	C-3:O-2:H-1:	I-2:C-3:H-1:	C-3:	C(CHI)(OS)(H)	C(IC[6a])(CHO)(H)	H(CCO)	C(CHI)(OS)(H)	C(IC[6a])(CHO)(H)	H(CCO)	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1	120.1527	0.876	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	2:3:3:	3:	C-3:N-2:H-1:	S-2:C-3:C-3:	C-3:	C(CCS)(NS)(H)	C(SC[6a])(CCH)(CHN)	H(CCN)	C(CCS)(NS)(H)	C(SC[6a])(CCH)(CHN)	H(CCN)	118.7520	0.000	1	118.7520	0.000	1	118.7520	0.000	1	118.7520	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:1:1:	3:	C-3:C-2:H-1:	C-3:Br-1:Br-1:	C-3:	C(CBr2)(CC)(H)	C(CCH)(Br)2	H(CCC)	C(CBr2)(CC)(H)	C(CCH)(Br)2	H(CCC)	117.7620	0.434	2	117.7620	0.188	2	117.7620	0.188	2	118.1646	44.768	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:1:1:	3:	C-3:C-2:H-1:	C-3:Br-1:H-1:	C-3:	C(CBrH)(CC)(H)	C(CCH)(Br)(H)	H(CCC)	C(CBrH)(CC)(H)	C(CCH)(Br)(H)	H(CCC)	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	118.1646	44.768	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:1:1:	3:	C-3:C-2:H-1:	C-3:F-1:F-1:	C-3:	C(CFF)(CC)(H)	C(CCH)(F)2	H(CCC)	C(CFF)(CC)(H)	C(CCH)(F)2	H(CCC)	115.1240	0.000	1	115.1240	0.000	1	115.1240	0.000	1	118.1646	44.768	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:1:1:	3:	C-3:C-2:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(CC)(H)	C(CCH)(H)2	H(CCC)	C(CHH)(CC)(H)	C(CCH)(H)2	H(CCC)	107.3890	23.941	2	107.3890	573.179	2	115.4733	154.155	6	118.1646	44.768	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:1:1:	3:	C-3:C-2:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(CN)(H)	C(CCH)(H)2	H(CCC)	C(CHH)(CN)(H)	C(CCH)(H)2	H(CCC)	119.5155	0.714	4	119.5155	0.509	4	115.4733	154.155	6	118.1646	44.768	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:1:1:	3:	C-3:N-2:H-1:	C-3:Br-1:Br-1:	C-3:	C(CBr2)(NC)(H)	C(CHN)(Br)2	H(CCN)	C(CBr2)(NC)(H)	C(CHN)(Br)2	H(CCN)	119.9430	0.000	1	119.9430	0.000	1	119.9430	0.000	1	118.1646	44.768	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:1:1:	3:	C-3:N-2:H-1:	C-3:H-1:O-1:	C-3:	C(CHO)(NN)(H)	C(CHN)(H)(O)	H(CCN)	C(CHO)(NN)(H)	C(CHN)(H)(O)	H(CCN)	122.2520	0.431	2	122.2520	0.186	2	122.2520	0.186	2	118.1646	44.768	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:1:1:	3:	C-3:O-2:H-1:	C-3:Cl-1:H-1:	C-3:	C(CClH)(OC)(H)	C(CHO)(Cl)(H)	H(CCO)	C(CClH)(OC)(H)	C(CHO)(Cl)(H)	H(CCO)	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	118.1646	44.768	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:1:1:	3:	C-3:O-2:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(OC)(H)	C(CHO)(H)2	H(CCO)	C(CHH)(OC)(H)	C(CHO)(H)2	H(CCO)	121.5430	2.045	4	121.5430	4.180	4	119.2747	8.055	8	118.1646	44.768	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:1:1:	3:	C-3:O-2:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(OSi)(H)	C(CHO)(H)2	H(CCO)	C(CHH)(OSi)(H)	C(CHO)(H)2	H(CCO)	117.0065	0.946	4	117.0065	0.894	4	119.2747	8.055	8	118.1646	44.768	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:C-2:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)(CC)(H)	C(CCH)(CC)(H)	H(CCC)	C(CCH)(CC)(H)	C(CCH)(CC)(H)	H(CCC)	119.2887	1.386	51	119.2887	1.922	51	119.1826	2.086	54	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:C-2:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)(CN)(H)	C(CCH)(CN)(H)	H(CCC)	C(CCH)(CN)(H)	C(CCH)(CN)(H)	H(CCC)	117.3425	2.019	2	117.3425	4.076	2	119.1826	2.086	54	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:C-2:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)(CRe)(H)	C(CCH)(CRe)(H)	H(CCC)	C(CCH)(CRe)(H)	C(CCH)(CRe)(H)	H(CCC)	117.4500	0.000	1	117.4500	0.000	1	119.1826	2.086	54	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:C-2:H-1:	C-3:O-2:O-1:	C-3:	C(COO)(CC)(H)	C(CCH)(OC)(O)	H(CCC)	C(COO)(CC)(H)	C(CCH)(OC)(O)	H(CCC)	116.4675	1.078	2	116.4675	1.163	2	117.8525	3.491	4	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:C-2:H-1:	C-3:O-2:O-1:	C-3:	C(COO)(CN)(H)	C(CCH)(OC)(O)	H(CCC)	C(COO)(CN)(H)	C(CCH)(OC)(O)	H(CCC)	120.1420	0.000	1	120.1420	0.000	1	117.8525	3.491	4	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:C-2:H-1:	C-3:O-2:O-1:	C-3:	C(COO)(CRu)(H)	C(CCH)(OC)(O)	H(CCC)	C(COO)(CRu)(H)	C(CCH)(OC)(O)	H(CCC)	118.3330	0.000	1	118.3330	0.000	1	117.8525	3.491	4	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C-3:	C(CHN)(NC)(H)	C(CHN)(NC)(H)	H(CCN)	C(CHN)(NC)(H)	C(CHN)(NC)(H)	H(CCN)	118.3277	1.760	11	118.3277	3.099	11	119.2037	4.128	23	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C-3:	C(CHN)(NC)(H)	C(CHN)(NSe)(H)	H(CCN)	C(CHN)(NC)(H)	C(CHN)(NSe)(H)	H(CCN)	121.7883	0.646	4	121.7883	0.417	4	119.2037	4.128	23	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C-3:	C(CHN)(NN)(H)	C(CHN)(NN)(H)	H(CCN)	C(CHN)(NN)(H)	C(CHN)(NN)(H)	H(CCN)	120.7237	0.227	4	120.7237	0.051	4	119.2037	4.128	23	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C-3:	C(CHN)(NSe)(H)	C(CHN)(NC)(H)	H(CCN)	C(CHN)(NSe)(H)	C(CHN)(NC)(H)	H(CCN)	117.5080	0.914	4	117.5080	0.836	4	119.2037	4.128	23	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	C-3:O-2:O-1:	C-3:	C(COO)(NN)(H)	C(CHN)(OC)(O)	H(CCN)	C(COO)(NN)(H)	C(CHN)(OC)(O)	H(CCN)	120.0893	0.884	9	120.0893	0.781	9	120.0893	0.781	9	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:O-2:H-1:	C-3:O-2:H-1:	C-3:	C(CHO)(OC)(H)	C(CHO)(OC)(H)	H(CCO)	C(CHO)(OC)(H)	C(CHO)(OC)(H)	H(CCO)	122.2668	1.623	6	122.2668	2.635	6	122.2668	2.635	6	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:S-2:H-1:	C-3:S-2:H-1:	C-3:	C(CHS)(SC)(H)	C(CHS)(SC)(H)	H(CCS)	C(CHS)(SC)(H)	C(CHS)(SC)(H)	H(CCS)	118.2815	2.045	10	118.2815	4.182	10	119.2397	2.584	23	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:S-2:H-1:	C-3:S-2:H-1:	C-3:	C(CHS)(SMo)(H)	C(CHS)(SMo)(H)	H(CCS)	C(CHS)(SMo)(H)	C(CHS)(SMo)(H)	H(CCS)	120.0567	0.217	8	120.0567	0.047	8	119.2397	2.584	23	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:S-2:H-1:	C-3:S-2:H-1:	C-3:	C(CHS)(SPt)(H)	C(CHS)(SPt)(H)	H(CCS)	C(CHS)(SPt)(H)	C(CHS)(SPt)(H)	H(CCS)	119.4600	0.000	1	119.4600	0.000	1	119.2397	2.584	23	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:S-2:H-1:	C-3:S-2:H-1:	C-3:	C(CHS)(STc)(H)	C(CHS)(STc)(H)	H(CCS)	C(CHS)(STc)(H)	C(CHS)(STc)(H)	H(CCS)	120.6235	0.670	2	120.6235	0.448	2	119.2397	2.584	23	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:1:	3:	C-3:S-2:H-1:	C-3:S-2:H-1:	C-3:	C(CHS)(SV)(H)	C(CHS)(SV)(H)	H(CCS)	C(CHS)(SV)(H)	C(CHS)(SV)(H)	H(CCS)	119.2685	0.193	2	119.2685	0.037	2	119.2397	2.584	23	119.3771	3.010	119	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:2:	3:	C-3:C-2:H-1:	C-3:C-2:C-2:	C-3:	C(CCC)(CC)(H)	C(CCH)(CN)2	H(CCC)	C(CCC)(CC)(H)	C(CCH)(CN)2	H(CCC)	118.2960	0.000	1	118.2960	0.000	1	118.2960	0.000	1	119.4255	0.656	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:2:	3:	C-3:C-2:H-1:	C-3:C-2:S-2:	C-3:	C(CCS)(CC)(H)	C(CCH)(CC)(SC)	H(CCC)	C(CCS)(CC)(H)	C(CCH)(CC)(SC)	H(CCC)	118.1290	0.000	1	118.1290	0.000	1	118.1290	0.000	1	119.4255	0.656	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:2:	3:	C-3:N-2:H-1:	C-3:O-2:O-2:	C-3:	C(COO)(NN)(H)	C(CHN)(OB)(OC)	H(CCN)	C(COO)(NN)(H)	C(CHN)(OB)(OC)	H(CCN)	121.1310	0.000	1	121.1310	0.000	1	121.1310	0.000	1	119.4255	0.656	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:2:	3:	C-3:S-2:H-1:	C-3:S-2:C-2:	C-3:	C(CCS)(SNi)(H)	C(CHS)(SNi)(CN)	H(CCS)	C(CCS)(SNi)(H)	C(CHS)(SNi)(CN)	H(CCS)	119.5156	0.300	8	119.5156	0.090	8	119.5156	0.090	8	119.4255	0.656	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:3:	3:	C-3:C-2:H-1:	C[6a]-3:O-2:C-3:	C-3:	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	H(CCC)	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	H(CCC)	118.5294	0.712	5	118.5294	0.507	5	118.5294	0.507	5	118.9172	1.308	6	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:2:3:	3:	C-3:O-2:H-1:	C[6a]-3:I-2:C-3:	C-3:	C(CC[6a]I)(OC)(H)	C(C[6a]C[6a]2)(IC[6a])(CHO)	H(CCO)	C(CC[6a]I)(OC)(H)	C(C[6a]C[6a]2)(IC[6a])(CHO)	H(CCO)	120.8560	0.000	1	120.8560	0.000	1	120.8560	0.000	1	118.9172	1.308	6	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CC)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CCH)(CC)(H)	C(CCH)(CHN)(H)	H(CCC)	118.5170	0.000	1	118.5170	0.000	1	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CC)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CC)(H)	C(CCH)2(H)	H(CCC)	120.6118	0.723	8	120.6118	0.522	8	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CC)(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	C(CCH)(CC)(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	118.5140	0.000	1	118.5140	0.000	1	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CC)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CCH)(CC)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	117.1350	0.555	6	117.1350	0.308	6	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCH)(CH)(H)	C(CCC)(CCH)(H)	H(CCC)	107.4210	6.841	2	107.4210	46.793	2	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCH)(CH)(H)	C(CCH)(CCO)(H)	H(CCC)	107.1920	0.000	1	107.1920	0.000	1	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CH)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CCH)(CH)(H)	C(CCH)(CHN)(H)	H(CCC)	109.4170	0.000	1	109.4170	0.000	1	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CH)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CH)(H)	C(CCH)2(H)	H(CCC)	117.1567	6.815	16	117.1567	46.450	16	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CH)(H)	C(CC[5a]N)(CCH)(H)	H(CCC)	C(CCH)(CH)(H)	C(CC[5a]N)(CCH)(H)	H(CCC)	127.1460	0.000	1	127.1460	0.000	1	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CN)(H)	C(CCH)(CCN)(H)	H(CCC)	C(CCH)(CN)(H)	C(CCH)(CCN)(H)	H(CCC)	119.7530	0.000	1	119.7530	0.000	1	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CN)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CCH)(CN)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	117.9520	0.000	1	117.9520	0.000	1	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CSb)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CSb)(H)	C(CCH)2(H)	H(CCC)	121.8710	0.000	1	121.8710	0.000	1	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CTe)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CTe)(H)	C(CCH)2(H)	H(CCC)	116.9280	0.000	1	116.9280	0.000	1	117.4230	33.081	41	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:C-3:O-1:	C-3:	C(CCO)(CH)(H)	C(CCH)2(O)	H(CCC)	C(CCO)(CH)(H)	C(CCH)2(O)	H(CCC)	126.5140	0.000	1	126.5140	0.000	1	126.5140	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C-3:N-3:H-1:	C-3:	C(CHN)(CH)(H)	C(CCH)(NHN)(H)	H(CCC)	C(CHN)(CH)(H)	C(CCH)(NHN)(H)	H(CCC)	127.9300	0.000	1	127.9300	0.000	1	127.9300	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[3]-3:C-3:H-1:	C-3:	C(CC[3]H)(CN)(H)	C(C[3]C[3,6,6]N[3])(CCH)(H)	H(CCC)	C(CC[3]H)(CN)(H)	C(C[3]C[3,6,6]N[3])(CCH)(H)	H(CCC)	118.6180	0.000	1	118.6180	0.000	1	118.6180	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	115.9970	0.000	1	115.9970	0.000	1	118.4429	1.751	8	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	118.5420	0.000	1	118.5420	0.000	1	118.4429	1.751	8	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	118.8020	0.000	1	118.8020	0.000	1	118.4429	1.751	8	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	117.7035	0.979	2	117.7035	0.959	2	118.4429	1.751	8	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	119.6505	0.245	2	119.6505	0.060	2	118.4429	1.751	8	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CN)(H)	C(C[5a]N[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CN)(H)	C(C[5a]N[5a]2)(CCH)(H)	H(CCC)	119.4940	0.000	1	119.4940	0.000	1	118.4429	1.751	8	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]Cl)(CN)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	C(CC[6a]Cl)(CN)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	117.4630	0.000	1	117.4630	0.000	1	117.4630	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.9790	0.000	1	117.9790	0.000	1	119.1921	0.834	8	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.1184	0.866	5	119.1184	0.749	5	119.1921	0.834	8	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(COs)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(COs)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.9830	0.301	2	119.9830	0.091	2	119.1921	0.834	8	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	119.8990	0.000	1	119.8990	0.000	1	119.8990	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	N-3:C-3:O-1:	C-3:	C(CNO)(CC)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	C(CNO)(CC)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	118.8970	0.000	1	118.8970	0.000	1	118.8970	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NC)(H)	C(CCH)(CHN)(H)	H(CCN)	C(CCH)(NC)(H)	C(CCH)(CHN)(H)	H(CCN)	115.6810	0.000	1	115.6810	0.000	1	119.2928	4.687	49	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	117.9741	1.945	9	117.9741	3.784	9	119.2928	4.687	49	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NN)(H)	C(CCC)(CHN)(H)	H(CCN)	C(CCH)(NN)(H)	C(CCC)(CHN)(H)	H(CCN)	120.4830	0.000	1	120.4830	0.000	1	119.2928	4.687	49	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	H(CCN)	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	H(CCN)	120.2146	1.301	5	120.2146	1.694	5	119.2928	4.687	49	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NN)(H)	C(CC[5a]C)(CHN)(H)	H(CCN)	C(CCH)(NN)(H)	C(CC[5a]C)(CHN)(H)	H(CCN)	119.2640	0.000	1	119.2640	0.000	1	119.2928	4.687	49	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NN)(H)	C(CC[6a]2)(CHN)(H)	H(CCN)	C(CCH)(NN)(H)	C(CC[6a]2)(CHN)(H)	H(CCN)	120.6230	0.000	1	120.6230	0.000	1	119.2928	4.687	49	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	120.2562	1.479	26	120.2562	2.187	26	119.2928	4.687	49	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NO)(H)	C(CC[5a]H)(CHN)(H)	H(CCN)	C(CCH)(NO)(H)	C(CC[5a]H)(CHN)(H)	H(CCN)	114.4540	0.000	1	114.4540	0.000	1	119.2928	4.687	49	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NO)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(CCH)(NO)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	116.5540	0.298	2	116.5540	0.089	2	119.2928	4.687	49	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NS)(H)	C(CHN)2(H)	H(CCN)	C(CCH)(NS)(H)	C(CHN)2(H)	H(CCN)	118.7930	0.000	1	118.7930	0.000	1	119.2928	4.687	49	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NSi)(H)	C(CCN)(CHN)(H)	H(CCN)	C(CCH)(NSi)(H)	C(CCN)(CHN)(H)	H(CCN)	113.4410	0.000	1	113.4410	0.000	1	119.2928	4.687	49	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:I-1:	C-3:	C(CCI)(NN)(H)	C(CCH)(CHN)(I)	H(CCN)	C(CCI)(NN)(H)	C(CCH)(CHN)(I)	H(CCN)	119.1340	0.000	1	119.1340	0.000	1	119.1340	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:O-1:	C-3:	C(CCO)(NN)(H)	C(CC[5]H)(CHN)(O)	H(CCN)	C(CCO)(NN)(H)	C(CC[5]H)(CHN)(O)	H(CCN)	120.2290	0.000	1	120.2290	0.000	1	120.9330	0.991	2	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:C-3:O-1:	C-3:	C(CCO)(NN)(H)	C(CHN)(CNO)(O)	H(CCN)	C(CCO)(NN)(H)	C(CHN)(CNO)(O)	H(CCN)	121.6370	0.000	1	121.6370	0.000	1	120.9330	0.991	2	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:N-3:H-1:	C-3:	C(CHN)(NC)(H)	C(CHN)(NCC)(H)	H(CCN)	C(CHN)(NC)(H)	C(CHN)(NCC)(H)	H(CCN)	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5]-3:C-3:O-1:	C-3:	C(CC[5]O)(NO)(H)	C(C[5]N[5]2)(CHN)(O)	H(CCN)	C(CC[5]O)(NO)(H)	C(C[5]N[5]2)(CHN)(O)	H(CCN)	121.9060	0.000	1	121.9060	0.000	1	121.9060	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(NC)(H)	C(C[5a]C[5a]S[5a])(CHN)(H)	H(CCN)	C(CC[5a]H)(NC)(H)	C(C[5a]C[5a]S[5a])(CHN)(H)	H(CCN)	117.7105	0.585	2	117.7105	0.342	2	117.7105	0.342	2	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(NO)(H)	C(C[5a]N[5a]2)(CHN)(O)	H(CCN)	C(CC[5a]O)(NO)(H)	C(C[5a]N[5a]2)(CHN)(O)	H(CCN)	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NC)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	C(CC[6a]H)(NC)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	118.4840	0.385	2	118.4840	0.148	2	118.6090	0.121	3	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NS)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	C(CC[6a]H)(NS)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	118.8590	0.000	1	118.8590	0.000	1	118.6090	0.121	3	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(NN)(H)	C(C[6a]C[6a]2)(CHN)(O)	H(CCN)	C(CC[6a]O)(NN)(H)	C(C[6a]C[6a]2)(CHN)(O)	H(CCN)	122.8150	0.373	2	122.8150	0.139	2	121.7955	2.110	4	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(NO)(H)	C(C[6a]C[6a]2)(CHN)(O)	H(CCN)	C(CC[6a]O)(NO)(H)	C(C[6a]C[6a]2)(CHN)(O)	H(CCN)	120.7760	1.426	2	120.7760	2.032	2	121.7955	2.110	4	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)(NN)(H)	C(NCoN)(CHN)(H)	H(CCN)	C(CHN)(NN)(H)	C(NCoN)(CHN)(H)	H(CCN)	114.5450	0.395	2	114.5450	0.156	2	115.0116	0.331	5	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)(NN)(H)	C(NNiN)(CHN)(H)	H(CCN)	C(CHN)(NN)(H)	C(NNiN)(CHN)(H)	H(CCN)	115.3675	0.657	2	115.3675	0.432	2	115.0116	0.331	5	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)(NN)(H)	C(NPdN)(CHN)(H)	H(CCN)	C(CHN)(NN)(H)	C(NPdN)(CHN)(H)	H(CCN)	115.2330	0.000	1	115.2330	0.000	1	115.0116	0.331	5	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:C-3:O-1:	C-3:	C(CNO)(NO)(H)	C(NC[6a]H)(CHN)(O)	H(CCN)	C(CNO)(NO)(H)	C(NC[6a]H)(CHN)(O)	H(CCN)	120.8403	0.773	3	120.8403	0.597	3	120.8403	0.597	3	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N[5a]-3:C-3:F-1:	C-3:	C(CN[5a]F)(NC)(H)	C(N[5a]C[5a]2)(CHN)(F)	H(CCN)	C(CN[5a]F)(NC)(H)	C(N[5a]C[5a]2)(CHN)(F)	H(CCN)	119.8650	0.000	1	119.8650	0.000	1	119.8650	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N[6]-3:C-3:O-1:	C-3:	C(CN[6]O)(NN)(H)	C(N[6]C[6]2)(CHN)(O)	H(CCN)	C(CN[6]O)(NN)(H)	C(N[6]C[6]2)(CHN)(O)	H(CCN)	129.6745	0.146	2	129.6745	0.021	2	129.6745	0.021	2	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(OH)(H)	C(CHO)2(Br)	H(CCO)	C(CBrC)(OH)(H)	C(CHO)2(Br)	H(CCO)	116.2605	1.633	2	116.2605	2.666	2	116.2605	2.666	2	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(OAl)(H)	C(CCH)(CHO)(H)	H(CCO)	C(CCH)(OAl)(H)	C(CCH)(CHO)(H)	H(CCO)	116.9030	0.000	1	116.9030	0.000	1	118.4256	4.556	20	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(OAl)(H)	C(CC[6a]H)(CHO)(H)	H(CCO)	C(CCH)(OAl)(H)	C(CC[6a]H)(CHO)(H)	H(CCO)	117.1940	2.513	3	117.1940	6.315	3	118.4256	4.556	20	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(OB)(H)	C(CC[6a]H)(CHO)(H)	H(CCO)	C(CCH)(OB)(H)	C(CC[6a]H)(CHO)(H)	H(CCO)	118.6660	0.000	1	118.6660	0.000	1	118.4256	4.556	20	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(OC)(H)	C(CCH)(CHO)(H)	H(CCO)	C(CCH)(OC)(H)	C(CCH)(CHO)(H)	H(CCO)	116.7290	0.000	1	116.7290	0.000	1	118.4256	4.556	20	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(OC)(H)	C(CCO)(CHO)(H)	H(CCO)	C(CCH)(OC)(H)	C(CCO)(CHO)(H)	H(CCO)	119.4117	1.956	6	119.4117	3.825	6	118.4256	4.556	20	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(OC)(H)	C(CHH)(CHO)(H)	H(CCO)	C(CCH)(OC)(H)	C(CHH)(CHO)(H)	H(CCO)	123.0770	0.000	1	123.0770	0.000	1	118.4256	4.556	20	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(OC)(H)	C(CHO)(COO)(H)	H(CCO)	C(CCH)(OC)(H)	C(CHO)(COO)(H)	H(CCO)	117.5315	2.046	2	117.5315	4.185	2	118.4256	4.556	20	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(OMo)(H)	C(CCH)(CHO)(H)	H(CCO)	C(CCH)(OMo)(H)	C(CCH)(CHO)(H)	H(CCO)	119.0260	0.000	1	119.0260	0.000	1	118.4256	4.556	20	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(ON)(H)	C(CHO)(COO)(H)	H(CCO)	C(CCH)(ON)(H)	C(CHO)(COO)(H)	H(CCO)	118.1935	2.651	2	118.1935	7.028	2	118.4256	4.556	20	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(OP)(H)	C(CCH)(CHO)(H)	H(CCO)	C(CCH)(OP)(H)	C(CCH)(CHO)(H)	H(CCO)	117.3040	1.319	2	117.3040	1.741	2	118.4256	4.556	20	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(OPd)(H)	C(C[5]C[5]N[5])(CHO)(H)	H(CCO)	C(CC[5]H)(OPd)(H)	C(C[5]C[5]N[5])(CHO)(H)	H(CCO)	115.8680	0.307	3	115.8680	0.094	3	115.8680	0.094	3	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[6a]-3:C-3:F-1:	C-3:	C(CC[6a]F)(OS)(H)	C(C[6a]C[6a]2)(CHO)(F)	H(CCO)	C(CC[6a]F)(OS)(H)	C(C[6a]C[6a]2)(CHO)(F)	H(CCO)	124.6000	0.000	1	124.6000	0.000	1	124.6000	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(OC)(H)	C(C[6a]C[6a]2)(CHO)(H)	H(CCO)	C(CC[6a]H)(OC)(H)	C(C[6a]C[6a]2)(CHO)(H)	H(CCO)	117.9080	0.000	1	117.9080	0.000	1	118.8135	1.640	2	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(OP)(H)	C(C[6a]C[6a]2)(CHO)(H)	H(CCO)	C(CC[6a]H)(OP)(H)	C(C[6a]C[6a]2)(CHO)(H)	H(CCO)	119.7190	0.000	1	119.7190	0.000	1	118.8135	1.640	2	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(SC)(H)	C(CCN)(CHS)(H)	H(CCS)	C(CCH)(SC)(H)	C(CCN)(CHS)(H)	H(CCS)	116.0410	0.000	1	116.0410	0.000	1	116.4911	1.941	10	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(SC)(H)	C(CHS)(COO)(H)	H(CCS)	C(CCH)(SC)(H)	C(CHS)(COO)(H)	H(CCS)	118.2040	0.000	1	118.2040	0.000	1	116.4911	1.941	10	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(SCo)(H)	C(CCH)(CHS)(H)	H(CCS)	C(CCH)(SCo)(H)	C(CCH)(CHS)(H)	H(CCS)	119.5660	0.000	1	119.5660	0.000	1	116.4911	1.941	10	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(SPt)(H)	C(CCC)(CHS)(H)	H(CCS)	C(CCH)(SPt)(H)	C(CCC)(CHS)(H)	H(CCS)	116.3043	0.705	3	116.3043	0.497	3	116.4911	1.941	10	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(SPt)(H)	C(CCH)(CHS)(H)	H(CCS)	C(CCH)(SPt)(H)	C(CCH)(CHS)(H)	H(CCS)	115.7475	0.165	2	115.7475	0.027	2	116.4911	1.941	10	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(SPt)(H)	C(CC[6a]C)(CHS)(H)	H(CCS)	C(CCH)(SPt)(H)	C(CC[6a]C)(CHS)(H)	H(CCS)	115.3460	0.136	2	115.3460	0.018	2	116.4911	1.941	10	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	C-3:S-3:H-1:	C-3:	C(CHS)(SC)(H)	C(CHS)(SCO)(H)	H(CCS)	C(CHS)(SC)(H)	C(CHS)(SCO)(H)	H(CCS)	118.3325	0.893	2	118.3325	0.798	2	118.3325	0.798	2	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(SC)(H)	C(C[5a]C[5a]N[5a])(CHS)(H)	H(CCS)	C(CC[5a]H)(SC)(H)	C(C[5a]C[5a]N[5a])(CHS)(H)	H(CCS)	119.9490	0.000	1	119.9490	0.000	1	117.6275	10.779	2	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(SC)(H)	C(C[5a]N[5a,6]C[5a])(CHS)(H)	H(CCS)	C(CC[5a]H)(SC)(H)	C(C[5a]N[5a,6]C[5a])(CHS)(H)	H(CCS)	115.3060	0.000	1	115.3060	0.000	1	117.6275	10.779	2	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(SC)(H)	C(C[6a]C[6a]2)(CHS)(H)	H(CCS)	C(CC[6a]H)(SC)(H)	C(C[6a]C[6a]2)(CHS)(H)	H(CCS)	126.7470	0.000	1	126.7470	0.000	1	126.7470	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	S-3:C-3:H-1:	C-3:	C(CHS)(SMo)(H)	C(SMo2)(CHS)(H)	H(CCS)	C(CHS)(SMo)(H)	C(SMo2)(CHS)(H)	H(CCS)	118.3040	0.000	1	118.3040	0.000	1	118.3040	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:1:	3:	C-3:Se-2:H-1:	C[6a]-3:C-3:I-1:	C-3:	C(CC[6a]I)(SeC[6a])(H)	C(C[6a]C[6a]2)(CSeH)(I)	H(CSeC)	C(CC[6a]I)(SeC[6a])(H)	C(C[6a]C[6a]2)(CSeH)(I)	H(CSeC)	116.3550	0.000	1	116.3550	0.000	1	116.3550	0.000	1	118.6786	13.844	183	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CC)(H)	C(CCH)(CNO)(CC)	H(CCC)	C(CCC)(CC)(H)	C(CCH)(CNO)(CC)	H(CCC)	117.9490	0.000	1	117.9490	0.000	1	117.3928	1.268	4	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CC)(H)	C(CCH)(CNO)(CN)	H(CCC)	C(CCC)(CC)(H)	C(CCH)(CNO)(CN)	H(CCC)	117.4400	1.751	2	117.4400	3.065	2	117.3928	1.268	4	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CRu)(H)	C(CCC)(CCH)(CN)	H(CCC)	C(CCC)(CRu)(H)	C(CCC)(CCH)(CN)	H(CCC)	116.7420	0.000	1	116.7420	0.000	1	117.3928	1.268	4	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	C-3:C-3:S-2:	C-3:	C(CCS)(CC)(H)	C(CCH)(CCS)(SC)	H(CCC)	C(CCS)(CC)(H)	C(CCH)(CCS)(SC)	H(CCC)	118.8965	0.194	2	118.8965	0.038	2	118.8965	0.038	2	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	C-3:N-3:C-2:	C-3:	C(CCN)(CN)(H)	C(CCH)(NCC)(CC)	H(CCC)	C(CCN)(CN)(H)	C(CCH)(NCC)(CC)	H(CCC)	119.3640	0.000	1	119.3640	0.000	1	119.3640	0.000	1	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	C[5a]-3:C-3:S-2:	C-3:	C(CC[5a]S)(CC)(H)	C(C[5a]C[5a,6]S[5a])(CCH)(SC)	H(CCC)	C(CC[5a]S)(CC)(H)	C(C[5a]C[5a,6]S[5a])(CCH)(SC)	H(CCC)	117.9780	0.000	1	117.9780	0.000	1	117.5603	0.116	6	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	C[5a]-3:C-3:S-2:	C-3:	C(CC[5a]S)(CC)(H)	C(C[5a]C[5a]S[5a])(CCH)(SC)	H(CCC)	C(CC[5a]S)(CC)(H)	C(C[5a]C[5a]S[5a])(CCH)(SC)	H(CCC)	117.4768	0.305	5	117.4768	0.093	5	117.5603	0.116	6	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CC)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(OC)	H(CCC)	C(CC[6a]O)(CC)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(OC)	H(CCC)	117.3655	4.290	2	117.3655	18.404	2	117.5648	6.222	4	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	117.9910	0.000	1	117.9910	0.000	1	117.5648	6.222	4	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OSi)	H(CCC)	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OSi)	H(CCC)	117.5370	0.000	1	117.5370	0.000	1	117.5648	6.222	4	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(CC)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	C(CC[6a]S)(CC)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	117.1600	0.000	1	117.1600	0.000	1	117.1600	0.000	1	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:C-2:H-1:	N[6]-3:C-3:C-2:	C-3:	C(CN[6]C)(CN)(H)	C(N[6]C[6]2)(CCH)(CC)	H(CCC)	C(CN[6]C)(CN)(H)	C(N[6]C[6]2)(CCH)(CC)	H(CCC)	119.0760	0.000	1	119.0760	0.000	1	119.0760	0.000	1	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:I-2:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(IC[6a])(H)	C(C[6a]C[6a]2)(CHI)(OS)	H(CCI)	C(CC[6a]O)(IC[6a])(H)	C(C[6a]C[6a]2)(CHI)(OS)	H(CCI)	119.0905	0.107	2	119.0905	0.011	2	119.0905	0.011	2	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(NN)(H)	C(CCN)(CHN)(CN)	H(CCN)	C(CCC)(NN)(H)	C(CCN)(CHN)(CN)	H(CCN)	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	C-3:N-3:N-2:	C-3:	C(CNN)(NO)(H)	C(CHN)(NCH)(NO)	H(CCN)	C(CNN)(NO)(H)	C(CHN)(NCH)(NO)	H(CCN)	117.5340	0.000	1	117.5340	0.000	1	117.5340	0.000	1	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]N)(NN)(H)	C(C[6a]C[6a]2)(CHN)(NN)	H(CCN)	C(CC[6a]N)(NN)(H)	C(C[6a]C[6a]2)(CHN)(NN)	H(CCN)	119.3920	0.000	1	119.3920	0.000	1	118.9503	2.634	9	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]N)(NN[5a])(H)	C(C[6a]C[6a]2)(CHN)(NN)	H(CCN)	C(CC[6a]N)(NN[5a])(H)	C(C[6a]C[6a]2)(CHN)(NN)	H(CCN)	119.5470	0.000	1	119.5470	0.000	1	118.9503	2.634	9	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]N)(NO)(H)	C(C[6a]C[6a]2)(CHN)(NN)	H(CCN)	C(CC[6a]N)(NO)(H)	C(C[6a]C[6a]2)(CHN)(NN)	H(CCN)	118.8020	1.842	7	118.8020	3.395	7	118.9503	2.634	9	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(NS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	H(CCN)	C(CC[6a]O)(NS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	H(CCN)	119.3130	0.000	1	119.3130	0.000	1	119.3130	0.000	1	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:C-3:N-2:	C-3:	C(CNN)(NO)(H)	C(NC[6a]H)(CHN)(NO)	H(CCN)	C(CNN)(NO)(H)	C(NC[6a]H)(CHN)(NO)	H(CCN)	121.2820	0.000	1	121.2820	0.000	1	121.2820	0.000	1	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N[5a]-3:C-3:N-2:	C-3:	C(CN[5a]N)(NO)(H)	C(N[5a]C[5a]N[5a])(CHN)(NO)	H(CCN)	C(CN[5a]N)(NO)(H)	C(N[5a]C[5a]N[5a])(CHN)(NO)	H(CCN)	116.8540	0.000	1	116.8540	0.000	1	116.8540	0.000	1	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N[6]-3:C-3:N-2:	C-3:	C(CN[6]N)(NO)(H)	C(N[6]C[6]2)(CHN)(NO)	H(CCN)	C(CN[6]N)(NO)(H)	C(N[6]C[6]2)(CHN)(NO)	H(CCN)	119.2855	0.141	2	119.2855	0.020	2	119.2855	0.020	2	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(SPt)(H)	C(CCH)(CHS)(CN)	H(CCS)	C(CCC)(SPt)(H)	C(CCH)(CHS)(CN)	H(CCS)	115.8760	0.000	1	115.8760	0.000	1	115.8760	0.000	1	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(SPt)(H)	C(CCH)(CHS)(OC)	H(CCS)	C(CCO)(SPt)(H)	C(CCH)(CHS)(OC)	H(CCS)	116.6080	0.000	1	116.6080	0.000	1	116.6080	0.000	1	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C-3:C-3:S-2:	C-3:	C(CCS)(SCo)(H)	C(CHS)(COO)(SCo)	H(CCS)	C(CCS)(SCo)(H)	C(CHS)(COO)(SCo)	H(CCS)	120.2230	0.000	1	120.2230	0.000	1	119.3107	0.654	3	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C-3:C-3:S-2:	C-3:	C(CCS)(SIr)(H)	C(CHS)(COO)(SIr)	H(CCS)	C(CCS)(SIr)(H)	C(CHS)(COO)(SIr)	H(CCS)	118.8545	0.243	2	118.8545	0.059	2	119.3107	0.654	3	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C[5a]-3:C-3:S-2:	C-3:	C(CC[5a]S)(SNi)(H)	C(C[5a]C[5a]S[5a])(CHS)(SNi)	H(CCS)	C(CC[5a]S)(SNi)(H)	C(C[5a]C[5a]S[5a])(CHS)(SNi)	H(CCS)	119.1900	0.332	2	119.1900	0.110	2	119.9307	1.701	3	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C[5a]-3:C-3:S-2:	C-3:	C(CC[5a]S)(SPt)(H)	C(C[5a]C[5a]S[5a])(CHS)(SPt)	H(CCS)	C(CC[5a]S)(SPt)(H)	C(C[5a]C[5a]S[5a])(CHS)(SPt)	H(CCS)	121.4120	0.000	1	121.4120	0.000	1	119.9307	1.701	3	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C[6]-3:C-3:S-2:	C-3:	C(CC[6]S)(SNi)(H)	C(C[6]C[6]2)(CHS)(SNi)	H(CCS)	C(CC[6]S)(SNi)(H)	C(C[6]C[6]2)(CHS)(SNi)	H(CCS)	119.3890	0.604	2	119.3890	0.365	2	119.3890	0.365	2	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(SC)(H)	C(C[6a]C[6a]2)(CHS)(OP)	H(CCS)	C(CC[6a]O)(SC)(H)	C(C[6a]C[6a]2)(CHS)(OP)	H(CCS)	117.9420	0.000	1	117.9420	0.000	1	117.9420	0.000	1	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(SC[6a])(H)	C(C[6a]C[6a]2)(CHS)(SC)	H(CCS)	C(CC[6a]S)(SC[6a])(H)	C(C[6a]C[6a]2)(CHS)(SC)	H(CCS)	116.4600	0.768	2	116.4600	0.590	2	118.2325	0.830	14	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(SMo)(H)	C(C[6a]C[6a]2)(CHS)(SMo)	H(CCS)	C(CC[6a]S)(SMo)(H)	C(C[6a]C[6a]2)(CHS)(SMo)	H(CCS)	117.9402	0.305	4	117.9402	0.093	4	118.2325	0.830	14	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(SNi)(H)	C(C[6a]C[6a]2)(CHS)(SNi)	H(CCS)	C(CC[6a]S)(SNi)(H)	C(C[6a]C[6a]2)(CHS)(SNi)	H(CCS)	118.9015	0.266	4	118.9015	0.071	4	118.2325	0.830	14	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(SNi)(H)	C(C[6a]C[6a]N[6a])(CHS)(SNi)	H(CCS)	C(CC[6a]S)(SNi)(H)	C(C[6a]C[6a]N[6a])(CHS)(SNi)	H(CCS)	118.9930	0.000	1	118.9930	0.000	1	118.2325	0.830	14	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(SRu)(H)	C(C[6a]C[6a]2)(CHS)(SRu)	H(CCS)	C(CC[6a]S)(SRu)(H)	C(C[6a]C[6a]2)(CHS)(SRu)	H(CCS)	118.8205	0.101	2	118.8205	0.010	2	118.2325	0.830	14	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:2:	3:	C-3:S-2:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(SW)(H)	C(C[6a]C[6a]2)(CHS)(SW)	H(CCS)	C(CC[6a]S)(SW)(H)	C(C[6a]C[6a]2)(CHS)(SW)	H(CCS)	118.3340	0.000	1	118.3340	0.000	1	118.2325	0.830	14	118.4363	1.905	62	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6]-3:N[6]-3:C-3:	C-3:	C(CC[6]N[6])(CN)(H)	C(C[6]C[6]2)(N[6]C[6]2)(CCH)	H(CCC)	C(CC[6]N[6])(CN)(H)	C(C[6]C[6]2)(N[6]C[6]2)(CCH)	H(CCC)	124.4375	1.206	2	124.4375	1.454	2	124.4375	1.454	2	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	H(CCC)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	H(CCC)	116.9750	0.000	1	116.9750	0.000	1	118.6833	2.308	4	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CN)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]C)(CN)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	119.2527	1.231	3	119.2527	1.516	3	118.6833	2.308	4	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	117.9795	0.518	2	117.9795	0.269	2	117.9795	0.269	2	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	H(CCC)	116.4320	0.000	1	116.4320	0.000	1	116.3074	1.751	17	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	117.1725	0.718	6	117.1725	0.515	6	116.3074	1.751	17	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CMo)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CMo)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	114.4450	0.000	1	114.4450	0.000	1	116.3074	1.751	17	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CN)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CN)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	117.8320	0.000	1	117.8320	0.000	1	116.3074	1.751	17	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(COs)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(COs)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	115.7715	1.669	4	115.7715	2.785	4	116.3074	1.751	17	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CRe)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CRe)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	115.6890	0.987	2	115.6890	0.974	2	116.3074	1.751	17	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CRu)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CRu)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.6530	0.000	1	116.6530	0.000	1	116.3074	1.751	17	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CW)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CW)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	114.3650	0.000	1	114.3650	0.000	1	116.3074	1.751	17	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	H(CCC)	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	H(CCC)	119.8090	0.000	1	119.8090	0.000	1	119.1130	1.068	5	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	H(CCC)	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	H(CCC)	118.9390	1.105	4	118.9390	1.222	4	119.1130	1.068	5	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:C-2:H-1:	N-3:C-3:C-3:	C-3:	C(CCN)(CC)(H)	C(NFeC)(CCH)(CCN)	H(CCC)	C(CCN)(CC)(H)	C(NFeC)(CCH)(CCN)	H(CCC)	115.0430	0.000	1	115.0430	0.000	1	115.0430	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NS)(H)	C(CC[6a]2)(CC[6a]C)(CHN)	H(CCN)	C(CCC)(NS)(H)	C(CC[6a]2)(CC[6a]C)(CHN)	H(CCN)	119.2730	0.000	1	119.2730	0.000	1	119.2730	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(NN)(H)	C(CCN)(CHN)(NCC)	H(CCN)	C(CCN)(NN)(H)	C(CCN)(CHN)(NCC)	H(CCN)	123.5550	0.000	1	123.5550	0.000	1	123.5550	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C-3:N-3:N-3:	C-3:	C(CNN)(NO)(H)	C(CHN)(NOO)2	H(CCN)	C(CNN)(NO)(H)	C(CHN)(NOO)2	H(CCN)	113.5767	1.239	3	113.5767	1.534	3	113.5767	1.534	3	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C[5]-3:C-3:C-3:	C-3:	C(CC[5]C)(NC[6a])(H)	C(C[5]C[5]N[5])(CHN)2	H(CCN)	C(CC[5]C)(NC[6a])(H)	C(C[5]C[5]N[5])(CHN)2	H(CCN)	117.4993	0.320	4	117.4993	0.102	4	117.4993	0.102	4	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(NS)(H)	C(C[5a]C[5a]N[5a])(CHN)2	H(CCN)	C(CC[5a]C)(NS)(H)	C(C[5a]C[5a]N[5a])(CHN)2	H(CCN)	117.9670	0.000	1	117.9670	0.000	1	117.9670	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NC[6a])(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(CC[6a]C)(NC[6a])(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	117.7817	0.112	3	117.7817	0.013	3	118.5058	1.222	5	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CCH)(CHN)	H(CCN)	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CCH)(CHN)	H(CCN)	118.9100	0.000	1	118.9100	0.000	1	118.5058	1.222	5	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	120.2740	0.000	1	120.2740	0.000	1	118.5058	1.222	5	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(NS)(H)	C(C[6a]C[6a]2)2(CHN)	H(CCN)	C(CC[6a]2)(NS)(H)	C(C[6a]C[6a]2)2(CHN)	H(CCN)	117.9320	0.000	1	117.9320	0.000	1	117.9320	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C[6a]-3:N[6]-3:C-3:	C-3:	C(CC[6a]N[6])(NS)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	H(CCN)	C(CC[6a]N[6])(NS)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	H(CCN)	117.8210	0.000	1	117.8210	0.000	1	117.8210	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:O-2:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(OC)(H)	C(CCC)(CHO)(COO)	H(CCO)	C(CCC)(OC)(H)	C(CCC)(CHO)(COO)	H(CCO)	119.8310	0.000	1	119.8310	0.000	1	119.8310	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:O-2:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(OH)(H)	C(CHO)2(NCH)	H(CCO)	C(CCN)(OH)(H)	C(CHO)2(NCH)	H(CCO)	114.9480	0.000	1	114.9480	0.000	1	114.9480	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:O-2:H-1:	C[6]-3:C-3:C-3:	C-3:	C(CC[6]C)(OC)(H)	C(C[6]C[6]2)(CHO)(CNN)	H(CCO)	C(CC[6]C)(OC)(H)	C(C[6]C[6]2)(CHO)(CNN)	H(CCO)	119.0490	0.000	1	119.0490	0.000	1	119.0490	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:O-2:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(OC)(H)	C(C[6a]C[6a]2)(CHO)(CNN)	H(CCO)	C(CC[6a]C)(OC)(H)	C(C[6a]C[6a]2)(CHO)(CNN)	H(CCO)	118.7050	0.000	1	118.7050	0.000	1	118.0922	3.118	12	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:O-2:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(OC)(H)	C(C[6a]C[6a]2)(CHO)(COO)	H(CCO)	C(CC[6a]C)(OC)(H)	C(C[6a]C[6a]2)(CHO)(COO)	H(CCO)	118.9408	0.530	4	118.9408	0.281	4	118.0922	3.118	12	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:O-2:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(OC[6a])(H)	C(C[6a]C[6a]2)(CHO)(COO)	H(CCO)	C(CC[6a]C)(OC[6a])(H)	C(C[6a]C[6a]2)(CHO)(COO)	H(CCO)	116.6620	0.299	5	116.6620	0.090	5	118.0922	3.118	12	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:O-2:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CHO)	H(CCO)	C(CC[6a]C)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CHO)	H(CCO)	119.6640	3.831	2	119.6640	14.677	2	118.0922	3.118	12	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(OC)(H)	C(C[6a]C[6a]2)2(CHO)	H(CCO)	C(CC[6a]2)(OC)(H)	C(C[6a]C[6a]2)2(CHO)	H(CCO)	123.6250	0.000	1	123.6250	0.000	1	123.6250	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:S-2:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(SC)(H)	C(CC[6a]C)(CCC)(CHS)	H(CCS)	C(CCC)(SC)(H)	C(CC[6a]C)(CCC)(CHS)	H(CCS)	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:S-2:H-1:	C[6a]-3:B[5]-3:C-3:	C-3:	C(CC[6a]B[5])(SC)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CHS)	H(CCS)	C(CC[6a]B[5])(SC)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CHS)	H(CCS)	116.1580	0.000	1	116.1580	0.000	1	116.1580	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:S-2:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(SC)(H)	C(C[6a]C[6a]2)(CCC)(CHS)	H(CCS)	C(CC[6a]C)(SC)(H)	C(C[6a]C[6a]2)(CCC)(CHS)	H(CCS)	116.6280	0.000	1	116.6280	0.000	1	116.4955	0.035	2	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:S-2:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(SC[6a])(H)	C(C[6a]C[6a]2)(CHS)(COO)	H(CCS)	C(CC[6a]C)(SC[6a])(H)	C(C[6a]C[6a]2)(CHS)(COO)	H(CCS)	116.3630	0.000	1	116.3630	0.000	1	116.4955	0.035	2	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:S-2:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(SC)(H)	C(C[6a]C[6a]2)(CHS)(NCC)	H(CCS)	C(CC[6a]N)(SC)(H)	C(C[6a]C[6a]2)(CHS)(NCC)	H(CCS)	119.4280	0.000	1	119.4280	0.000	1	119.4280	0.000	1	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:S-2:H-1:	N[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5a])(SC)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	H(CCS)	C(CC[6a]N[5a])(SC)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	H(CCS)	116.9570	0.511	2	116.9570	0.261	2	118.1636	1.837	5	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:S-2:H-1:	N[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5a])(SC[6])(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	H(CCS)	C(CC[6a]N[5a])(SC[6])(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	H(CCS)	117.7480	0.000	1	117.7480	0.000	1	118.1636	1.837	5	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:S-2:H-1:	N[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5a])(SC[6a])(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	H(CCS)	C(CC[6a]N[5a])(SC[6a])(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	H(CCS)	119.5780	0.008	2	119.5780	0.000	2	118.1636	1.837	5	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:Se-2:H-1:	Se-3:C-3:C-3:	C-3:	C(CSeC)(SeCo)(H)	C(SeCo2)(CSeH)(COO)	H(CSeC)	C(CSeC)(SeCo)(H)	C(SeCo2)(CSeH)(COO)	H(CSeC)	117.3600	0.000	1	117.3600	0.000	1	117.7535	0.310	2	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:3:3:	3:	C-3:Se-2:H-1:	Se-3:C-3:C-3:	C-3:	C(CSeC)(SeIr)(H)	C(SeIr2)(CSeH)(COO)	H(CSeC)	C(CSeC)(SeIr)(H)	C(SeIr2)(CSeH)(COO)	H(CSeC)	118.1470	0.000	1	118.1470	0.000	1	117.7535	0.310	2	117.8010	5.187	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:C-2:H-1:	C[5]-3:S-4:C-3:	C-3:	C(CC[5]S)(CC)(H)	C(C[5]C[5,6]S[5])(SCOO)(CCH)	H(CCC)	C(CC[5]S)(CC)(H)	C(C[5]C[5,6]S[5])(SCOO)(CCH)	H(CCC)	116.8970	0.148	4	116.8970	0.022	4	116.8970	0.022	4	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:C-2:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(CC)(H)	C(C[6]C[6]2)(CH3)(CCH)	H(CCC)	C(CC[6]C)(CC)(H)	C(C[6]C[6]2)(CH3)(CCH)	H(CCC)	117.2130	0.000	2	117.2130	0.000	2	117.2130	0.000	2	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:C-2:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	H(CCC)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	H(CCC)	117.7410	0.000	1	117.7410	0.000	1	117.1740	0.643	2	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:C-2:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	H(CCC)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	H(CCC)	116.6070	0.000	1	116.6070	0.000	1	117.1740	0.643	2	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:C-2:H-1:	C[6a]-3:S-4:C-3:	C-3:	C(CC[6a]S)(CC)(H)	C(C[6a]C[6a]2)(SCOO)(CCH)	H(CCC)	C(CC[6a]S)(CC)(H)	C(C[6a]C[6a]2)(SCOO)(CCH)	H(CCC)	115.7802	0.884	5	115.7802	0.781	5	115.7802	0.781	5	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:N-2:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(NC)(H)	C(CC[6a]H)(CH3)(CHN)	H(CCN)	C(CCC)(NC)(H)	C(CC[6a]H)(CH3)(CHN)	H(CCN)	118.2433	0.289	4	118.2433	0.084	4	118.9405	0.800	8	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:N-2:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(NN)(H)	C(CC[6a]H)(CH3)(CHN)	H(CCN)	C(CCC)(NN)(H)	C(CC[6a]H)(CH3)(CHN)	H(CCN)	119.6377	0.697	4	119.6377	0.485	4	118.9405	0.800	8	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:N-2:H-1:	C[6a]-3:S-4:C-3:	C-3:	C(CC[6a]S)(NS)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CHN)	H(CCN)	C(CC[6a]S)(NS)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CHN)	H(CCN)	116.7690	0.000	1	116.7690	0.000	1	116.7690	0.000	1	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:O-2:H-1:	B[5]-3:C-4:C-3:	C-3:	C(CB[5]C)(OC[6a])(H)	C(B[5]O[5]2)(CCHH)(CHO)	H(CCO)	C(CB[5]C)(OC[6a])(H)	C(B[5]O[5]2)(CCHH)(CHO)	H(CCO)	118.6690	0.000	1	118.6690	0.000	1	118.6690	0.000	1	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:S-2:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(SC[6a])(H)	C(C[6a]C[6a]2)(CCHH)(CHS)	H(CCS)	C(CC[6a]C)(SC[6a])(H)	C(C[6a]C[6a]2)(CCHH)(CHS)	H(CCS)	118.7760	0.000	1	118.7760	0.000	1	118.7760	0.000	1	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:S-2:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(SS)(H)	C(NC[6a]C)(CH3)(CHS)	H(CCS)	C(CCN)(SS)(H)	C(NC[6a]C)(CH3)(CHS)	H(CCS)	117.4140	0.158	2	117.4140	0.025	2	117.4140	0.025	2	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	3:4:3:	3:	C-3:Se-2:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(CC[6a]P)(SeC[6a])(H)	C(C[6a]C[6a]2)(PC[6a]2O)(CSeH)	H(CSeC)	C(CC[6a]P)(SeC[6a])(H)	C(C[6a]C[6a]2)(PC[6a]2O)(CSeH)	H(CSeC)	117.9750	0.000	1	117.9750	0.000	1	117.9750	0.000	1	117.5483	1.784	27	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CC)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CCH)(CC)(H)	C(CCCH)(CCH)(H)	H(CCC)	118.9540	0.000	1	118.9540	0.000	1	117.4803	11.038	12	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CC)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCH)(CC)(H)	C(CCHH)(CCH)(H)	H(CCC)	119.1475	2.274	4	119.1475	5.172	4	117.4803	11.038	12	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CC)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CCH)(CC)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	118.2730	0.000	1	118.2730	0.000	1	117.4803	11.038	12	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CCH)(CH)(H)	C(CHHN)(CCH)(H)	H(CCC)	109.4810	0.000	1	109.4810	0.000	1	117.4803	11.038	12	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CN)(H)	C(CCCN)(CCH)(H)	H(CCC)	C(CCH)(CN)(H)	C(CCCN)(CCH)(H)	H(CCC)	117.7400	0.458	2	117.7400	0.210	2	117.4803	11.038	12	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CN)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCH)(CN)(H)	C(CCHH)(CCH)(H)	H(CCC)	118.2080	0.000	1	118.2080	0.000	1	117.4803	11.038	12	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CN)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCH)(CN)(H)	C(CH3)(CCH)(H)	H(CCC)	116.3890	4.974	2	116.3890	24.739	2	117.4803	11.038	12	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(CC)(H)	C(C[5,6]C[5,6,6]C[5,6]H)(CCH)(H)	H(CCC)	C(CC[5,6]H)(CC)(H)	C(C[5,6]C[5,6,6]C[5,6]H)(CCH)(H)	H(CCC)	117.6390	0.000	1	117.6390	0.000	1	117.6390	0.000	1	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CC)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CC)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	H(CCC)	116.7410	0.000	1	116.7410	0.000	1	120.4520	27.543	2	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CN)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CN)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	H(CCC)	124.1630	0.000	1	124.1630	0.000	1	120.4520	27.543	2	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C[5]-4:C-3:I-1:	C-3:	C(CC[5]I)(CN)(H)	C(C[5]C[5]2Fe)(CCH)(I)	H(CCC)	C(CC[5]I)(CN)(H)	C(C[5]C[5]2Fe)(CCH)(I)	H(CCC)	118.1815	0.811	2	118.1815	0.658	2	118.1815	0.658	2	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(NC)(H)	C(CCHH)(CHN)(H)	H(CCN)	C(CCH)(NC)(H)	C(CCHH)(CHN)(H)	H(CCN)	116.7970	0.000	1	116.7970	0.000	1	121.7813	33.972	3	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(NN)(H)	C(CCHO)(CHN)(H)	H(CCN)	C(CCH)(NN)(H)	C(CCHO)(CHN)(H)	H(CCN)	120.3570	0.000	1	120.3570	0.000	1	121.7813	33.972	3	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(NRh)(H)	C(CHHN)(CHN)(H)	H(CCN)	C(CCH)(NRh)(H)	C(CHHN)(CHN)(H)	H(CCN)	128.1900	0.000	1	128.1900	0.000	1	121.7813	33.972	3	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(NN)(H)	C(CCHN)(CHN)(O)	H(CCN)	C(CCO)(NN)(H)	C(CCHN)(CHN)(O)	H(CCN)	121.6830	0.000	1	121.6830	0.000	1	121.6830	0.000	1	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[3]-4:C-3:O-1:	C-3:	C(CC[3]O)(NN)(H)	C(C[3]C[3]N[3]H)(CHN)(O)	H(CCN)	C(CC[3]O)(NN)(H)	C(C[3]C[3]N[3]H)(CHN)(O)	H(CCN)	121.7860	0.000	1	121.7860	0.000	1	121.7860	0.000	1	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[3x6]-4:C-3:O-1:	C-3:	C(CC[3x6]O)(NN)(H)	C(C[3x6]C[6,6]3)(CHN)(O)	H(CCN)	C(CC[3x6]O)(NN)(H)	C(C[3x6]C[6,6]3)(CHN)(O)	H(CCN)	122.2870	0.058	2	122.2870	0.003	2	122.2870	0.003	2	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)(NN)(H)	C(C[5]C[5]N[5]H)(CHN)(O)	H(CCN)	C(CC[5]O)(NN)(H)	C(C[5]C[5]N[5]H)(CHN)(O)	H(CCN)	125.5730	0.000	1	125.5730	0.000	1	125.5730	0.000	1	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(NC)(H)	C(C[6]C[6,6a]C[6]H)(CHN)(H)	H(CCN)	C(CC[6]H)(NC)(H)	C(C[6]C[6,6a]C[6]H)(CHN)(H)	H(CCN)	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(OC)(H)	C(CCCO)(CHO)(H)	H(CCO)	C(CCH)(OC)(H)	C(CCCO)(CHO)(H)	H(CCO)	120.8690	0.000	1	120.8690	0.000	1	117.6447	6.727	18	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(OC)(H)	C(CCHH)(CHO)(H)	H(CCO)	C(CCH)(OC)(H)	C(CCHH)(CHO)(H)	H(CCO)	116.3975	0.502	4	116.3975	0.252	4	117.6447	6.727	18	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(OC)(H)	C(CC[5]CH)(CHO)(H)	H(CCO)	C(CCH)(OC)(H)	C(CC[5]CH)(CHO)(H)	H(CCO)	120.1715	0.807	2	120.1715	0.651	2	117.6447	6.727	18	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(OC)(H)	C(CC[5]HO)(CHO)(H)	H(CCO)	C(CCH)(OC)(H)	C(CC[5]HO)(CHO)(H)	H(CCO)	116.3216	3.120	7	116.3216	9.737	7	117.6447	6.727	18	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(OC)(H)	C(CC[6a]3)(CHO)(H)	H(CCO)	C(CCH)(OC)(H)	C(CC[6a]3)(CHO)(H)	H(CCO)	117.5230	0.000	1	117.5230	0.000	1	117.6447	6.727	18	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(OC)(H)	C(CH3)(CHO)(H)	H(CCO)	C(CCH)(OC)(H)	C(CH3)(CHO)(H)	H(CCO)	119.4275	0.349	2	119.4275	0.122	2	117.6447	6.727	18	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(OC)(H)	C(CSi2H)(CHO)(H)	H(CCO)	C(CCH)(OC)(H)	C(CSi2H)(CHO)(H)	H(CCO)	120.1730	0.000	1	120.1730	0.000	1	117.6447	6.727	18	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(OC)(H)	C(C[3]C[3]2C)(CHO)(H)	H(CCO)	C(CC[3]H)(OC)(H)	C(C[3]C[3]2C)(CHO)(H)	H(CCO)	115.9680	0.000	1	115.9680	0.000	1	115.9680	0.000	1	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(OC[6a])(H)	C(C[6]C[6]O[6]H)(CHO)(H)	H(CCO)	C(CC[6]H)(OC[6a])(H)	C(C[6]C[6]O[6]H)(CHO)(H)	H(CCO)	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(OC)(H)	C(PC[6a]3)(CHO)(H)	H(CCO)	C(CHP)(OC)(H)	C(PC[6a]3)(CHO)(H)	H(CCO)	119.1020	0.000	1	119.1020	0.000	1	117.5156	0.807	5	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(OIr)(H)	C(PC[6]2Ir)(CHO)(H)	H(CCO)	C(CHP)(OIr)(H)	C(PC[6]2Ir)(CHO)(H)	H(CCO)	116.9220	0.000	1	116.9220	0.000	1	117.5156	0.807	5	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(ONi)(H)	C(PC[6]2Ni)(CHO)(H)	H(CCO)	C(CHP)(ONi)(H)	C(PC[6]2Ni)(CHO)(H)	H(CCO)	117.2235	0.146	2	117.2235	0.021	2	117.5156	0.807	5	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	P-4:C-3:H-1:	C-3:	C(CHP)(ORh)(H)	C(PC[6]2Rh)(CHO)(H)	H(CCO)	C(CHP)(ORh)(H)	C(PC[6]2Rh)(CHO)(H)	H(CCO)	117.1070	0.000	1	117.1070	0.000	1	117.5156	0.807	5	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:S-2:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(SC)(H)	C(C[5]C[5]2Fe)(CHS)(H)	H(CCS)	C(CC[5]H)(SC)(H)	C(C[5]C[5]2Fe)(CHS)(H)	H(CCS)	120.6100	0.748	2	120.6100	0.560	2	120.6100	0.560	2	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:1:	3:	C-3:S-2:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(SC[6a])(H)	C(C[6]C[6]O[6]H)(CHS)(H)	H(CCS)	C(CC[6]H)(SC[6a])(H)	C(C[6]C[6]O[6]H)(CHS)(H)	H(CCS)	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	118.5673	9.859	54	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:C-2:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(CC)(H)	C(CHHO)(CCH)(CC)	H(CCC)	C(CCC)(CC)(H)	C(CHHO)(CCH)(CC)	H(CCC)	118.2341	0.825	11	118.2341	0.681	11	117.9186	1.814	12	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:C-2:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(COs)(H)	C(CH3)(CCH)(CH)	H(CCC)	C(CCC)(COs)(H)	C(CH3)(CCH)(CH)	H(CCC)	114.4480	0.000	1	114.4480	0.000	1	117.9186	1.814	12	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:C-2:H-1:	C-4:C-3:S-2:	C-3:	C(CCS)(CC)(H)	C(CH3)(CCH)(SC)	H(CCC)	C(CCS)(CC)(H)	C(CH3)(CCH)(SC)	H(CCC)	117.8134	0.365	7	117.8134	0.134	7	117.8789	0.149	8	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:C-2:H-1:	C-4:C-3:S-2:	C-3:	C(CCS)(CN)(H)	C(CCHH)(CCH)(SC)	H(CCC)	C(CCS)(CN)(H)	C(CCHH)(CCH)(SC)	H(CCC)	118.3370	0.000	1	118.3370	0.000	1	117.8789	0.149	8	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:C-2:H-1:	C[5]-4:C-3:C-2:	C-3:	C(CC[5]C)(CN)(H)	C(C[5]C[5]2Fe)(CCH)(CN)	H(CCC)	C(CC[5]C)(CN)(H)	C(C[5]C[5]2Fe)(CCH)(CN)	H(CCC)	118.4510	0.000	1	118.4510	0.000	1	118.4510	0.000	1	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:N-2:H-1:	C-4:C-3:N-2:	C-3:	C(CCN)(NN)(H)	C(CCHO)(CHN)(NN)	H(CCN)	C(CCN)(NN)(H)	C(CCHO)(CHN)(NN)	H(CCN)	120.3750	0.000	1	120.3750	0.000	1	120.3460	0.002	2	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:N-2:H-1:	C-4:C-3:N-2:	C-3:	C(CCN)(NN)(H)	C(CH3)(CHN)(NN)	H(CCN)	C(CCN)(NN)(H)	C(CH3)(CHN)(NN)	H(CCN)	120.3170	0.000	1	120.3170	0.000	1	120.3460	0.002	2	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:N-2:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(NC)(H)	C(CH3)(CHN)(OC)	H(CCN)	C(CCO)(NC)(H)	C(CH3)(CHN)(OC)	H(CCN)	115.8970	0.000	1	115.8970	0.000	1	115.2351	0.250	7	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:N-2:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(NN)(H)	C(CC3)(CHN)(OCo)	H(CCN)	C(CCO)(NN)(H)	C(CC3)(CHN)(OCo)	H(CCN)	114.8310	0.068	2	114.8310	0.005	2	115.2351	0.250	7	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:N-2:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(NN)(H)	C(CCCH)(CHN)(OCo)	H(CCN)	C(CCO)(NN)(H)	C(CCCH)(CHN)(OCo)	H(CCN)	114.8905	0.342	2	114.8905	0.117	2	115.2351	0.250	7	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:N-2:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(NN)(H)	C(CCCH)(CHN)(ONi)	H(CCN)	C(CCO)(NN)(H)	C(CCCH)(CHN)(ONi)	H(CCN)	115.6530	0.165	2	115.6530	0.027	2	115.2351	0.250	7	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:2:	3:	C-3:O-2:H-1:	S-4:C-3:C-2:	C-3:	C(CCS)(OC)(H)	C(SC[6a]OO)(CHO)(CN)	H(CCO)	C(CCS)(OC)(H)	C(SC[6a]OO)(CHO)(CN)	H(CCO)	119.6830	0.000	1	119.6830	0.000	1	119.6830	0.000	1	117.5331	2.783	31	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:C-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CH)(H)	C(CH3)(CCH)2	H(CCC)	C(CCC)(CH)(H)	C(CH3)(CCH)2	H(CCC)	125.8570	4.342	2	125.8570	18.850	2	122.5715	20.676	4	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:C-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CN)(H)	C(CH3)(CCH)(CNO)	H(CCC)	C(CCC)(CN)(H)	C(CH3)(CCH)(CNO)	H(CCC)	119.2860	0.000	2	119.2860	0.000	2	122.5715	20.676	4	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:C-2:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(CC)(H)	C(CH3)(CCH)(NCC)	H(CCC)	C(CCN)(CC)(H)	C(CH3)(CCH)(NCC)	H(CCC)	118.7680	0.000	1	118.7680	0.000	1	119.4025	0.805	2	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:C-2:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(CN)(H)	C(CH3)(CCH)(NHP)	H(CCC)	C(CCN)(CN)(H)	C(CH3)(CCH)(NHP)	H(CCC)	120.0370	0.000	1	120.0370	0.000	1	119.4025	0.805	2	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:C-2:H-1:	C[3]-4:C-3:C-3:	C-3:	C(CC[3]C)(CN)(H)	C(C[3]C[3]2H)(CCH)(COO)	H(CCC)	C(CC[3]C)(CN)(H)	C(C[3]C[3]2H)(CCH)(COO)	H(CCC)	116.7370	0.000	1	116.7370	0.000	1	116.7370	0.000	1	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:C-2:H-1:	Si-4:C-3:C-3:	C-3:	C(CSiC)(CC)(H)	C(SiC3)(CSiC)(CCH)	H(CCC)	C(CSiC)(CC)(H)	C(SiC3)(CSiC)(CCH)	H(CCC)	120.1280	0.417	2	120.1280	0.174	2	120.1280	0.174	2	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:N-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(NC)(H)	C(CC3)(CCH)(CHN)	H(CCN)	C(CCC)(NC)(H)	C(CC3)(CCH)(CHN)	H(CCN)	120.8710	0.000	1	120.8710	0.000	1	118.3447	5.280	6	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:N-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(NC)(H)	C(CCHH)(CHN)(CHO)	H(CCN)	C(CCC)(NC)(H)	C(CCHH)(CHN)(CHO)	H(CCN)	116.1490	0.000	1	116.1490	0.000	1	118.3447	5.280	6	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:N-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(NC)(H)	C(CF3)(CCC)(CHN)	H(CCN)	C(CCC)(NC)(H)	C(CF3)(CCC)(CHN)	H(CCN)	115.0050	0.000	1	115.0050	0.000	1	118.3447	5.280	6	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:N-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(NN)(H)	C(CCHO)(CCH)(CHN)	H(CCN)	C(CCC)(NN)(H)	C(CCHO)(CCH)(CHN)	H(CCN)	120.0640	0.000	1	120.0640	0.000	1	118.3447	5.280	6	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:N-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(NN)(H)	C(CH3)(CCH)(CHN)	H(CCN)	C(CCC)(NN)(H)	C(CH3)(CCH)(CHN)	H(CCN)	118.9895	0.504	2	118.9895	0.254	2	118.3447	5.280	6	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:N-2:H-1:	C[6]-4:N-3:C-3:	C-3:	C(CC[6]N)(NC[6])(H)	C(C[6]C[6]2H)(NC[6]C)(CHN)	H(CCN)	C(CC[6]N)(NC[6])(H)	C(C[6]C[6]2H)(NC[6]C)(CHN)	H(CCN)	120.8170	0.351	2	120.8170	0.123	2	120.8170	0.123	2	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:O-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(OC)(H)	C(CH3)(CHO)(COO)	H(CCO)	C(CCC)(OC)(H)	C(CH3)(CHO)(COO)	H(CCO)	120.6790	0.052	2	120.6790	0.003	2	119.5002	1.380	5	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:O-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(OIr)(H)	C(CH3)(CHH)(CHO)	H(CCO)	C(CCC)(OIr)(H)	C(CH3)(CHH)(CHO)	H(CCO)	119.0800	0.000	1	119.0800	0.000	1	119.5002	1.380	5	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:O-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(ORh)(H)	C(CH3)(CHH)(CHO)	H(CCO)	C(CCC)(ORh)(H)	C(CH3)(CHH)(CHO)	H(CCO)	117.9460	0.000	1	117.9460	0.000	1	119.5002	1.380	5	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:O-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(ORu)(H)	C(CH3)(CHH)(CHO)	H(CCO)	C(CCC)(ORu)(H)	C(CH3)(CHH)(CHO)	H(CCO)	119.1170	0.000	1	119.1170	0.000	1	119.5002	1.380	5	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:O-2:H-1:	C-4:S-3:C-3:	C-3:	C(CCS)(OC)(H)	C(CC[6a]HO)(SC[6a]O)(CHO)	H(CCO)	C(CCS)(OC)(H)	C(CC[6a]HO)(SC[6a]O)(CHO)	H(CCO)	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:O-2:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(OC)(H)	C(C[6]C[6]2H)(CHO)(COO)	H(CCO)	C(CC[6]C)(OC)(H)	C(C[6]C[6]2H)(CHO)(COO)	H(CCO)	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:S-2:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(SCo)(H)	C(CH3)(CCC)(CHS)	H(CCS)	C(CCC)(SCo)(H)	C(CH3)(CCC)(CHS)	H(CCS)	119.6630	0.000	1	119.6630	0.000	1	119.6630	0.000	1	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:3:3:	3:	C-3:Si-2:H-1:	Si[4]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]Si[4])(SiSi)(H)	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	H(CSiC)	C(CC[6a]Si[4])(SiSi)(H)	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	H(CSiC)	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	119.6949	6.164	26	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:4:3:	3:	C-3:C-2:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CN)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	C(CCC)(CN)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	118.9400	0.000	1	118.9400	0.000	1	118.9400	0.000	1	119.9801	9.216	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:4:3:	3:	C-3:C-2:H-1:	C-4:Si-4:C-3:	C-3:	C(CSiC)(CC)(H)	C(CCHO)(SiC3)(CCH)	H(CCC)	C(CSiC)(CC)(H)	C(CCHO)(SiC3)(CCH)	H(CCC)	120.3360	0.000	1	120.3360	0.000	1	118.6165	5.913	2	119.9801	9.216	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:4:3:	3:	C-3:C-2:H-1:	C-4:Si-4:C-3:	C-3:	C(CSiC)(CC)(H)	C(CC[6a]HN)(SiC3)(CCH)	H(CCC)	C(CSiC)(CC)(H)	C(CC[6a]HN)(SiC3)(CCH)	H(CCC)	116.8970	0.000	1	116.8970	0.000	1	118.6165	5.913	2	119.9801	9.216	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:4:3:	3:	C-3:C-2:H-1:	Si-4:C-4:C-3:	C-3:	C(CSiC)(CW)(H)	C(SiC3)(CH3)(CCH)	H(CCC)	C(CSiC)(CW)(H)	C(SiC3)(CH3)(CCH)	H(CCC)	118.0560	0.000	2	118.0560	0.000	2	118.0560	0.000	2	119.9801	9.216	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:4:3:	3:	C-3:N-2:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(NN)(H)	C(CCHH)(CH3)(CHN)	H(CCN)	C(CCC)(NN)(H)	C(CCHH)(CH3)(CHN)	H(CCN)	119.8300	0.000	1	119.8300	0.000	1	119.8300	0.000	1	119.9801	9.216	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:4:3:	3:	C-3:O-2:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(OC)(H)	C(CCHH)(CH3)(CHO)	H(CCO)	C(CCC)(OC)(H)	C(CCHH)(CH3)(CHO)	H(CCO)	125.8340	0.102	2	125.8340	0.010	2	121.5332	15.490	5	119.9801	9.216	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:4:3:	3:	C-3:O-2:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(OIn)(H)	C(CH3)2(CHO)	H(CCO)	C(CCC)(OIn)(H)	C(CH3)2(CHO)	H(CCO)	118.2620	0.000	1	118.2620	0.000	1	121.5332	15.490	5	119.9801	9.216	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:2:1:	4:4:3:	3:	C-3:O-2:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(OSi)(H)	C(CHHN)2(CHO)	H(CCO)	C(CCC)(OSi)(H)	C(CHHN)2(CHO)	H(CCO)	118.8680	0.221	2	118.8680	0.049	2	121.5332	15.490	5	119.9801	9.216	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:2:3:	3:	C-3:C-3:H-1:	N-2:O-2:C-3:	C-3:	C(CC[6a]H)(CNO)(H)	C(NC[6a])(OC[6a])(CCH)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(NC[6a])(OC[6a])(CCH)	H(CCC)	118.1820	0.443	2	118.1820	0.196	2	118.1820	0.196	2	118.1820	0.196	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(NN[5])(CCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(NN[5])(CCH)(H)	H(CCC)	118.0638	0.520	5	118.0638	0.271	5	118.2227	1.814	40	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(CC[5a]H)(CHN)(H)	C(NN[5])(CCH)(H)	H(CCC)	C(CC[5a]H)(CHN)(H)	C(NN[5])(CCH)(H)	H(CCC)	119.7943	1.058	3	119.7943	1.119	3	118.2227	1.814	40	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(CC[6]H)(CHN)(H)	C(NC[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CHN)(H)	C(NC[6])(CCH)(H)	H(CCC)	119.2250	0.584	4	119.2250	0.341	4	118.2227	1.814	40	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(CC[6a]2)(CHN)(H)	C(NC[6a])(CCH)(H)	H(CCC)	C(CC[6a]2)(CHN)(H)	C(NC[6a])(CCH)(H)	H(CCC)	115.7766	1.691	5	115.7766	2.858	5	118.2227	1.814	40	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NC[5a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NC[5a])(CCH)(H)	H(CCC)	118.1205	0.090	2	118.1205	0.008	2	118.2227	1.814	40	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NC[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NC[6a])(CCH)(H)	H(CCC)	118.3202	0.681	19	118.3202	0.464	19	118.2227	1.814	40	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NN[5])(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NN[5])(CCH)(H)	H(CCC)	118.7050	0.000	1	118.7050	0.000	1	118.2227	1.814	40	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(CC[6a]O)(CHN)(H)	C(NC[6a])(CCH)(H)	H(CCC)	C(CC[6a]O)(CHN)(H)	C(NC[6a])(CCH)(H)	H(CCC)	120.3950	0.000	1	120.3950	0.000	1	118.2227	1.814	40	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:C-3:O-1:	C-3:	C(CCH)(CNO)(H)	C(NC[6a])(CCH)(O)	H(CCC)	C(CCH)(CNO)(H)	C(NC[6a])(CCH)(O)	H(CCC)	115.8120	0.000	1	115.8120	0.000	1	115.8120	0.000	1	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:H-1:	C-3:	C(CCH)(CHO)(H)	C(OC[6])(CCH)(H)	H(CCC)	C(CCH)(CHO)(H)	C(OC[6])(CCH)(H)	H(CCC)	114.5040	0.000	1	114.5040	0.000	1	118.4182	5.128	6	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:H-1:	C-3:	C(CHO)(COO)(H)	C(OC[5a])(CCH)(H)	H(CCC)	C(CHO)(COO)(H)	C(OC[5a])(CCH)(H)	H(CCC)	117.3950	0.000	1	117.3950	0.000	1	118.4182	5.128	6	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:H-1:	C-3:	C(CHO)(COO)(H)	C(OC[6])(CCH)(H)	H(CCC)	C(CHO)(COO)(H)	C(OC[6])(CCH)(H)	H(CCC)	121.0410	0.000	1	121.0410	0.000	1	118.4182	5.128	6	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:H-1:	C-3:	C(CHO)(COO)(H)	C(OC[6a])(CCH)(H)	H(CCC)	C(CHO)(COO)(H)	C(OC[6a])(CCH)(H)	H(CCC)	119.1897	0.551	3	119.1897	0.303	3	118.4182	5.128	6	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CCC)(COO)(H)	C(OC[6])(CCH)(O)	H(CCC)	C(CCC)(COO)(H)	C(OC[6])(CCH)(O)	H(CCC)	117.1797	1.173	3	117.1797	1.376	3	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CCC)(COO)(H)	C(OC[6a])(CCH)(O)	H(CCC)	C(CCC)(COO)(H)	C(OC[6a])(CCH)(O)	H(CCC)	110.7560	0.000	1	110.7560	0.000	1	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CCH)(COO)(H)	C(OC[5,6])(CCH)(O)	H(CCC)	C(CCH)(COO)(H)	C(OC[5,6])(CCH)(O)	H(CCC)	119.6274	0.526	5	119.6274	0.277	5	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CCH)(COO)(H)	C(OC[5])(CCH)(O)	H(CCC)	C(CCH)(COO)(H)	C(OC[5])(CCH)(O)	H(CCC)	118.0260	0.000	1	118.0260	0.000	1	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CCH)(COO)(H)	C(OC[6])(CCH)(O)	H(CCC)	C(CCH)(COO)(H)	C(OC[6])(CCH)(O)	H(CCC)	118.4340	0.000	1	118.4340	0.000	1	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CCH)(COO)(H)	C(OC[6a])(CCH)(O)	H(CCC)	C(CCH)(COO)(H)	C(OC[6a])(CCH)(O)	H(CCC)	120.3900	0.000	1	120.3900	0.000	1	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CC[5a]H)(COO)(H)	C(ON[5])(CCH)(O)	H(CCC)	C(CC[5a]H)(COO)(H)	C(ON[5])(CCH)(O)	H(CCC)	119.4560	0.000	1	119.4560	0.000	1	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(OC[5,6])(CCH)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(OC[5,6])(CCH)(O)	H(CCC)	118.6745	1.966	2	118.6745	3.867	2	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(OC[5])(CCH)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(OC[5])(CCH)(O)	H(CCC)	118.2537	0.395	6	118.2537	0.156	6	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(OC[6])(CCH)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(OC[6])(CCH)(O)	H(CCC)	119.0222	1.038	17	119.0222	1.077	17	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(OC[6a])(CCH)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(OC[6a])(CCH)(O)	H(CCC)	119.0738	1.022	16	119.0738	1.044	16	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CC[6a]N)(COO)(H)	C(OC[6a])(CCH)(O)	H(CCC)	C(CC[6a]N)(COO)(H)	C(OC[6a])(CCH)(O)	H(CCC)	118.4740	0.000	1	118.4740	0.000	1	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CHH)(COO)(H)	C(OC[6,6])(CCH)(O)	H(CCC)	C(CHH)(COO)(H)	C(OC[6,6])(CCH)(O)	H(CCC)	119.5263	0.595	3	119.5263	0.354	3	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CHH)(COO)(H)	C(OC[6])(CCH)(O)	H(CCC)	C(CHH)(COO)(H)	C(OC[6])(CCH)(O)	H(CCC)	116.6825	1.729	2	116.6825	2.989	2	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(CHH)(COO)(H)	C(OC[6a])(CCH)(O)	H(CCC)	C(CHH)(COO)(H)	C(OC[6a])(CCH)(O)	H(CCC)	118.5303	0.430	6	118.5303	0.185	6	118.6935	2.153	66	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:	C(CCH)(CHS)(H)	C(SC[6a])(CCH)(H)	H(CCC)	C(CCH)(CHS)(H)	C(SC[6a])(CCH)(H)	H(CCC)	118.6620	0.055	2	118.6620	0.003	2	118.7578	0.542	18	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:	C(CC[5]O)(CHS)(H)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	H(CCC)	C(CC[5]O)(CHS)(H)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	H(CCC)	118.3734	0.790	5	118.3734	0.624	5	118.7578	0.542	18	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:	C(CC[5]O)(CHS)(H)	C(SC[5x3,5x5,20x6])(CCH)(H)	H(CCC)	C(CC[5]O)(CHS)(H)	C(SC[5x3,5x5,20x6])(CCH)(H)	H(CCC)	119.3370	0.000	1	119.3370	0.000	1	118.7578	0.542	18	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:	C(CHH)(CHS)(H)	C(SC[5])(CCH)(H)	H(CCC)	C(CHH)(CHS)(H)	C(SC[5])(CCH)(H)	H(CCC)	120.2970	0.000	1	120.2970	0.000	1	118.7578	0.542	18	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:	C(CHS)(COO)(H)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	H(CCC)	C(CHS)(COO)(H)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	H(CCC)	118.7117	0.726	7	118.7117	0.527	7	118.7578	0.542	18	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:	C(CHS)(COO)(H)	C(SC[5])(CCH)(H)	H(CCC)	C(CHS)(COO)(H)	C(SC[5])(CCH)(H)	H(CCC)	119.0280	0.000	1	119.0280	0.000	1	118.7578	0.542	18	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:	C(CHS)(COO)(H)	C(SC[5a])(CCH)(H)	H(CCC)	C(CHS)(COO)(H)	C(SC[5a])(CCH)(H)	H(CCC)	118.8060	0.000	1	118.8060	0.000	1	118.7578	0.542	18	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	S-2:C-3:O-1:	C-3:	C(CC[6a]H)(COS)(H)	C(SC[6a])(CCH)(O)	H(CCC)	C(CC[6a]H)(COS)(H)	C(SC[6a])(CCH)(O)	H(CCC)	118.5185	3.372	4	118.5185	11.372	4	118.5185	11.372	4	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	C-3:N-3:H-1:	I-2:C-3:H-1:	C-3:	C(CHI)(NCO)(H)	C(IC[6a])(CHN)(H)	H(CCN)	C(CHI)(NCO)(H)	C(IC[6a])(CHN)(H)	H(CCN)	119.9080	0.000	1	119.9080	0.000	1	119.9080	0.000	1	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	N-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(NC[3x6]C)(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	C(NC[3x6]C)(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	116.9190	0.000	1	116.9190	0.000	1	118.6760	2.606	8	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	N-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(NC[6a]Al)(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	C(NC[6a]Al)(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	119.2840	0.000	1	119.2840	0.000	1	118.6760	2.606	8	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	N-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(NC[6a]Ga)(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	C(NC[6a]Ga)(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	117.7715	0.221	4	117.7715	0.049	4	118.6760	2.606	8	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:1:	3:	N-3:C-3:H-1:	N-2:C-3:H-1:	C-3:	C(NC[6a]H)(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	C(NC[6a]H)(CHN)(H)	C(NC[6a])(CHN)(H)	H(CCN)	121.0595	0.069	2	121.0595	0.005	2	118.6760	2.606	8	118.5419	2.195	144	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:2:	3:	C-3:C-3:H-1:	N-2:C-3:N-2:	C-3:	C(CC[6a]H)(CNN)(H)	C(NC[6a])(CCH)(NC)	H(CCC)	C(CC[6a]H)(CNN)(H)	C(NC[6a])(CCH)(NC)	H(CCC)	118.2670	0.000	1	118.2670	0.000	1	118.3275	0.007	2	118.3275	0.007	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:2:	3:	C-3:C-3:H-1:	N-2:C-3:N-2:	C-3:	C(CC[6a]H)(CNN)(H)	C(NN[6])(CCH)(NC)	H(CCC)	C(CC[6a]H)(CNN)(H)	C(NN[6])(CCH)(NC)	H(CCC)	118.3880	0.000	1	118.3880	0.000	1	118.3275	0.007	2	118.3275	0.007	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:3:	3:	C-3:C-3:H-1:	N-2:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[6a])(CCH)(CNO)	H(CCC)	C(CCH)(CCN)(H)	C(NC[6a])(CCH)(CNO)	H(CCC)	115.4090	0.000	1	115.4090	0.000	1	115.4090	0.000	1	117.4609	2.676	8	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:3:	3:	C-3:C-3:H-1:	N-2:C-3:N-3:	C-3:	C(CNN)2(H)	C(NC[6])(CCH)(NHH)	H(CCC)	C(CNN)2(H)	C(NC[6])(CCH)(NHH)	H(CCC)	114.9460	0.000	1	114.9460	0.000	1	114.9460	0.000	1	117.4609	2.676	8	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:3:	3:	C-3:C-3:H-1:	O-2:C-3:C-3:	C-3:	C(CCO)(COO)(H)	C(OC[6a])(CCH)(COO)	H(CCC)	C(CCO)(COO)(H)	C(OC[6a])(CCH)(COO)	H(CCC)	119.3340	0.223	2	119.3340	0.050	2	118.7280	1.127	3	117.4609	2.676	8	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:3:	3:	C-3:C-3:H-1:	O-2:C-3:C-3:	C-3:	C(CC[6a]H)(CCO)(H)	C(OC[6a])(CCC)(CCH)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(OC[6a])(CCC)(CCH)	H(CCC)	117.5160	0.000	1	117.5160	0.000	1	118.7280	1.127	3	117.4609	2.676	8	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:3:	3:	C-3:C-3:H-1:	S-2:C-3:C-3:	C-3:	C(CCS)(COO)(H)	C(SC[6])(CCH)(COO)	H(CCC)	C(CCS)(COO)(H)	C(SC[6])(CCH)(COO)	H(CCC)	118.5040	0.000	1	118.5040	0.000	1	117.7160	0.466	3	117.4609	2.676	8	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:3:	3:	C-3:C-3:H-1:	S-2:C-3:C-3:	C-3:	C(CCS)(COO)(H)	C(SC[6a])(CCH)2	H(CCC)	C(CCS)(COO)(H)	C(SC[6a])(CCH)2	H(CCC)	117.2970	0.000	1	117.2970	0.000	1	117.7160	0.466	3	117.4609	2.676	8	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:3:3:	3:	C-3:C-3:H-1:	S-2:C-3:C-3:	C-3:	C(CC[6a]H)(CCS)(H)	C(SC[6a])(CCH)2	H(CCC)	C(CC[6a]H)(CCS)(H)	C(SC[6a])(CCH)2	H(CCC)	117.3470	0.000	1	117.3470	0.000	1	117.7160	0.466	3	117.4609	2.676	8	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6])(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6])(CH3)(CCH)	H(CCC)	117.7467	0.140	4	117.7467	0.019	4	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a])(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a])(CH3)(CCH)	H(CCC)	117.1207	0.146	3	117.1207	0.021	3	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6])(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6])(CC3)(CCH)	H(CCC)	110.2000	0.000	1	110.2000	0.000	1	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a])(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a])(CC3)(CCH)	H(CCC)	111.9170	0.000	1	111.9170	0.000	1	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a])(CF3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a])(CF3)(CCH)	H(CCC)	115.0700	0.000	1	115.0700	0.000	1	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a])(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a])(CH3)(CCH)	H(CCC)	115.6930	0.935	25	115.6930	0.874	25	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CCN)2(H)	C(NN[5a])(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NN[5a])(CH3)(CCH)	H(CCC)	112.8380	0.000	1	112.8380	0.000	1	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CC[5]O)(CCN)(H)	C(NC[6a])(CH3)(CCH)	H(CCC)	C(CC[5]O)(CCN)(H)	C(NC[6a])(CH3)(CCH)	H(CCC)	117.9170	0.000	1	117.9170	0.000	1	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CC[6a]H)(CCN)(H)	C(NC[6a])(CCCH)(CCH)	H(CCC)	C(CC[6a]H)(CCN)(H)	C(NC[6a])(CCCH)(CCH)	H(CCC)	116.2645	0.275	2	116.2645	0.076	2	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CC[6a]H)(CCN)(H)	C(NC[6a])(CCHH)(CCH)	H(CCC)	C(CC[6a]H)(CCN)(H)	C(NC[6a])(CCHH)(CCH)	H(CCC)	117.4050	0.000	1	117.4050	0.000	1	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CC[6a]N)(CCN)(H)	C(NC[6a])(CH3)(CCH)	H(CCC)	C(CC[6a]N)(CCN)(H)	C(NC[6a])(CH3)(CCH)	H(CCC)	116.9840	0.000	1	116.9840	0.000	1	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6])(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6])(CH3)(CCH)	H(CCC)	117.9715	0.207	2	117.9715	0.043	2	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6a])(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6a])(CH3)(CCH)	H(CCC)	117.7430	0.000	1	117.7430	0.000	1	115.9823	2.750	44	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	O-2:C-4:C-3:	C-3:	C(CCF)(CCO)(H)	C(OC[6a])(CCFF)(CCH)	H(CCC)	C(CCF)(CCO)(H)	C(OC[6a])(CCFF)(CCH)	H(CCC)	116.4115	0.817	4	116.4115	0.667	4	116.7622	0.708	6	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	O-2:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(OIn[5,6,6])(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(OIn[5,6,6])(CH3)(CCH)	H(CCC)	117.6420	0.000	1	117.6420	0.000	1	116.7622	0.708	6	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	O-2:C-4:C-3:	C-3:	C(CCO)(CNO)(H)	C(OC[6a])(CCHH)(CCH)	H(CCC)	C(CCO)(CNO)(H)	C(OC[6a])(CCHH)(CCH)	H(CCC)	117.2850	0.000	1	117.2850	0.000	1	116.7622	0.708	6	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	S-2:C-4:C-3:	C-3:	C(CCH)(CCS)(H)	C(SC[6a])(CCHH)(CCH)	H(CCC)	C(CCH)(CCS)(H)	C(SC[6a])(CCHH)(CCH)	H(CCC)	113.6090	0.000	1	113.6090	0.000	1	113.6090	0.000	1	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	2:4:3:	3:	C-3:C-3:H-1:	Se-2:C-4:C-3:	C-3:	C(CSeC)(CCC)(H)	C(SeC[6a])(CCCO)(CCH)	H(CCC)	C(CSeC)(CCC)(H)	C(SeC[6a])(CCCO)(CCH)	H(CCC)	113.2420	0.452	4	113.2420	0.204	4	113.2420	0.204	4	115.8249	2.970	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	B-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(BCN)(CHH)(H)	C(CBH)(H)2	H(CBC)	C(BCN)(CHH)(H)	C(CBH)(H)2	H(CBC)	117.4110	0.314	4	117.4110	0.099	4	117.4110	0.099	4	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:Br-1:Br-1:	C-3:	C(CBr2)(CClC)(H)	C(CCH)(Br)2	H(CCC)	C(CBr2)(CClC)(H)	C(CCH)(Br)2	H(CCC)	115.6250	0.000	1	115.6250	0.000	1	115.6250	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:Cl-1:H-1:	C-3:	C(CClH)(CCH)(H)	C(CCH)(Cl)(H)	H(CCC)	C(CClH)(CCH)(H)	C(CCH)(Cl)(H)	H(CCC)	119.2130	0.000	1	119.2130	0.000	1	119.2130	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:F-1:O-1:	C-3:	C(CCO)(CFO)(H)	C(CCH)(F)(O)	H(CCC)	C(CCO)(CFO)(H)	C(CCH)(F)(O)	H(CCC)	119.0210	0.000	1	119.0210	0.000	1	119.0210	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CBrC)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CBrC)(CHH)(H)	C(CCH)(H)2	H(CCC)	115.6970	0.000	1	115.6970	0.000	1	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCC)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCC)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.5731	0.583	12	116.5731	0.340	12	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCH)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.5114	1.724	31	118.5114	2.974	31	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCO)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.5493	0.288	3	117.5493	0.083	3	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5]C)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5]C)(CHH)(H)	C(CCH)(H)2	H(CCC)	113.9305	5.230	2	113.9305	27.358	2	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5]O)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5]O)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.0870	0.000	1	117.0870	0.000	1	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5a]C)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5a]C)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.5210	0.000	1	117.5210	0.000	1	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6,6]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6,6]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	112.8780	0.000	1	112.8780	0.000	1	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.9610	0.000	1	117.9610	0.000	1	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]C)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]C)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.0097	2.068	3	118.0097	4.278	3	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(CHN)(H)	C(CCH)(H)2	H(CCC)	C(CHH)(CHN)(H)	C(CCH)(H)2	H(CCC)	119.9005	0.590	2	119.9005	0.349	2	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(CHO)(H)	C(CCH)(H)2	H(CCC)	C(CHH)(CHO)(H)	C(CCH)(H)2	H(CCC)	119.9993	3.970	3	119.9993	15.761	3	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(CHS)(H)	C(CCH)(H)2	H(CCC)	C(CHH)(CHS)(H)	C(CCH)(H)2	H(CCC)	121.9150	0.000	1	121.9150	0.000	1	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(CNN)(H)	C(CCH)(H)2	H(CCC)	C(CHH)(CNN)(H)	C(CCH)(H)2	H(CCC)	113.4680	6.852	2	113.4680	46.948	2	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(CNO)(H)	C(CCH)(H)2	H(CCC)	C(CHH)(CNO)(H)	C(CCH)(H)2	H(CCC)	119.4060	1.255	35	119.4060	1.575	35	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(COO)(H)	C(CCH)(H)2	H(CCC)	C(CHH)(COO)(H)	C(CCH)(H)2	H(CCC)	118.8821	1.440	29	118.8821	2.073	29	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)2(H)	C(CCH)(H)2	H(CCC)	C(CHH)2(H)	C(CCH)(H)2	H(CCC)	107.6807	9.146	3	107.6807	83.642	3	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[5]C)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[5]C)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.4390	0.000	1	117.4390	0.000	1	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[6]N)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[6]N)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.9760	0.093	2	117.9760	0.009	2	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[6]O)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[6]O)(CHH)(H)	C(CCH)(H)2	H(CCC)	119.5323	0.651	6	119.5323	0.424	6	118.2677	7.762	140	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:I-1:	C-3:	C(CCH)(CHI)(H)	C(CCH)(H)(I)	H(CCC)	C(CCH)(CHI)(H)	C(CCH)(H)(I)	H(CCC)	117.5772	2.094	4	117.5772	4.383	4	118.3898	8.231	6	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:I-1:	C-3:	C(CCO)(CHI)(H)	C(CCH)(H)(I)	H(CCC)	C(CCO)(CHI)(H)	C(CCH)(H)(I)	H(CCC)	116.8460	0.000	1	116.8460	0.000	1	118.3898	8.231	6	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:I-1:	C-3:	C(CHI)(COO)(H)	C(CCH)(H)(I)	H(CCC)	C(CHI)(COO)(H)	C(CCH)(H)(I)	H(CCC)	123.1840	0.000	1	123.1840	0.000	1	118.3898	8.231	6	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CCH)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CCH)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	118.1623	2.182	7	118.1623	4.760	7	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[5]Cl)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[5]Cl)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	116.5680	0.273	2	116.5680	0.074	2	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[5]H)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[5]H)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	119.5770	0.278	4	119.5770	0.077	4	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[5a]H)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[5a]H)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	118.9818	1.103	5	118.9818	1.217	5	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[6]H)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[6]H)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	119.8605	0.383	2	119.8605	0.146	2	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[6a]C)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[6a]C)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	117.4100	0.464	2	117.4100	0.215	2	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[6a]C[5])(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[6a]C[5])(CHO)(H)	C(CCH)(H)(O)	H(CCC)	118.3000	0.039	3	118.3000	0.001	3	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[6a]Cl)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[6a]Cl)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	116.3250	0.000	1	116.3250	0.000	1	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[6a]H)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[6a]H)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	118.5927	2.874	7	118.5927	8.259	7	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[6a]N)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[6a]N)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	118.2240	0.000	1	118.2240	0.000	1	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[6a]N[5a])(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[6a]N[5a])(CHO)(H)	C(CCH)(H)(O)	H(CCC)	118.3536	0.476	7	118.3536	0.226	7	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[6a]O)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[6a]O)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	119.6590	0.000	1	119.6590	0.000	1	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CC[6a]Ru)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CC[6a]Ru)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	117.4290	0.000	1	117.4290	0.000	1	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CHH)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CHH)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	116.0965	0.862	2	116.0965	0.743	2	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CN[6]H)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CN[6]H)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	120.0440	2.374	2	120.0440	5.638	2	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(CRuH)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	C(CRuH)(CHO)(H)	C(CCH)(H)(O)	H(CCC)	120.0680	0.000	1	120.0680	0.000	1	118.4488	2.932	48	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C-3:	C(CCC)(COO)(H)	C(CCH)(O)2	H(CCC)	C(CCC)(COO)(H)	C(CCH)(O)2	H(CCC)	115.7320	0.000	1	115.7320	0.000	1	116.0311	4.865	391	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(O)2	H(CCC)	C(CCH)(COO)(H)	C(CCH)(O)2	H(CCC)	115.6949	2.165	334	115.6949	4.687	334	116.0311	4.865	391	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C-3:	C(CC[6]H)(COO)(H)	C(CCH)(O)2	H(CCC)	C(CC[6]H)(COO)(H)	C(CCH)(O)2	H(CCC)	119.4652	0.283	4	119.4652	0.080	4	116.0311	4.865	391	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(O)2	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(O)2	H(CCC)	117.9648	1.110	49	117.9648	1.233	49	116.0311	4.865	391	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C-3:	C(CHH)(COO)(H)	C(CCH)(O)2	H(CCC)	C(CHH)(COO)(H)	C(CCH)(O)2	H(CCC)	118.8970	0.000	1	118.8970	0.000	1	116.0311	4.865	391	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C-3:	C(CN[6]C)(COO)(H)	C(CCH)(O)2	H(CCC)	C(CN[6]C)(COO)(H)	C(CCH)(O)2	H(CCC)	116.6570	0.215	2	116.6570	0.046	2	116.0311	4.865	391	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:N-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHH)(NCS)(H)	C(CHN)(H)2	H(CCN)	C(CHH)(NCS)(H)	C(CHN)(H)2	H(CCN)	117.1510	0.000	1	117.1510	0.000	1	117.1510	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:N-3:H-1:	C-3:I-1:I-1:	C-3:	C(CII)(NCC)(H)	C(CHN)(I)2	H(CCN)	C(CII)(NCC)(H)	C(CHN)(I)2	H(CCN)	116.1410	0.000	1	116.1410	0.000	1	116.9610	1.345	2	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C-3:N-3:H-1:	C-3:I-1:I-1:	C-3:	C(CII)(NCH)(H)	C(CHN)(I)2	H(CCN)	C(CII)(NCH)(H)	C(CHN)(I)2	H(CCN)	117.7810	0.000	1	117.7810	0.000	1	116.9610	1.345	2	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]2)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]2)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.8410	1.368	2	117.8410	1.870	2	117.6238	0.694	4	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]N[5])(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]N[5])(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.2990	0.000	1	117.2990	0.000	1	117.6238	0.694	4	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]P[5])(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]P[5])(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.5140	0.000	1	117.5140	0.000	1	117.6238	0.694	4	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5]-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(C[5]C[5,6]C[5])(CHO)(H)	C(CC[5]H)(H)(O)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CHO)(H)	C(CC[5]H)(H)(O)	H(CC[5]C)	116.8100	0.488	2	116.8100	0.238	2	116.8887	0.138	3	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5]-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(C[5]C[5,6a]C[5])(CHO)(H)	C(CC[5]H)(H)(O)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CHO)(H)	C(CC[5]H)(H)(O)	H(CC[5]C)	117.0460	0.000	1	117.0460	0.000	1	116.8887	0.138	3	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5a]-3:C-3:H-1:	C-3:Br-1:Br-1:	C-3:	C(C[5a]C[5a]2)(CBr2)(H)	C(CC[5a]H)(Br)2	H(CC[5a]C)	C(C[5a]C[5a]2)(CBr2)(H)	C(CC[5a]H)(Br)2	H(CC[5a]C)	115.7676	0.541	5	115.7676	0.292	5	115.5203	0.601	6	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5a]-3:C-3:H-1:	C-3:Br-1:Br-1:	C-3:	C(C[5a]C[5a]S[5a])(CBr2)(H)	C(CC[5a]H)(Br)2	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CBr2)(H)	C(CC[5a]H)(Br)2	H(CC[5a]C)	114.2840	0.000	1	114.2840	0.000	1	115.5203	0.601	6	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5a]-3:C-3:H-1:	C-3:F-1:F-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CFF)(H)	C(CC[5a]H)(F)2	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CFF)(H)	C(CC[5a]H)(F)2	H(CC[5a]C)	115.7330	0.000	1	115.7330	0.000	1	115.7330	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5a]C[5a,6]C[5a])(CHH)(H)	C(CC[5a]H)(H)2	H(CC[5a]C)	C(C[5a]C[5a,6]C[5a])(CHH)(H)	C(CC[5a]H)(H)2	H(CC[5a]C)	117.3345	1.150	2	117.3345	1.324	2	117.0219	2.586	10	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CHH)(H)	C(CC[5a]H)(H)2	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CHH)(H)	C(CC[5a]H)(H)2	H(CC[5a]C)	116.8725	0.681	2	116.8725	0.464	2	117.0219	2.586	10	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5a]C[5a,6a]N[5a])(CHH)(H)	C(CC[5a]H)(H)2	H(CC[5a]C)	C(C[5a]C[5a,6a]N[5a])(CHH)(H)	C(CC[5a]H)(H)2	H(CC[5a]C)	118.1010	0.000	1	118.1010	0.000	1	117.0219	2.586	10	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5a]C[5a]2)(CHH)(H)	C(CC[5a]H)(H)2	H(CC[5a]C)	C(C[5a]C[5a]2)(CHH)(H)	C(CC[5a]H)(H)2	H(CC[5a]C)	114.8055	2.528	2	114.8055	6.390	2	117.0219	2.586	10	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CHH)(H)	C(CC[5a]H)(H)2	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CHH)(H)	C(CC[5a]H)(H)2	H(CC[5a]C)	118.0310	0.637	3	118.0310	0.405	3	117.0219	2.586	10	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6,6]-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(C[6,6]C[3x6]C[6,6])(CHO)(H)	C(CC[6,6]H)(H)(O)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CHO)(H)	C(CC[6,6]H)(H)(O)	H(CC[6,6]C)	117.7545	0.774	2	117.7545	0.600	2	117.7545	0.600	2	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6]C[6])(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6]C[6])(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.3990	1.086	4	118.3990	1.179	4	117.4407	11.750	27	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6a]C[6])(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.4230	2.500	2	117.4230	6.252	2	117.4407	11.750	27	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]2)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6]2)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.1887	4.116	18	117.1887	16.944	18	117.4407	11.750	27	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]N[6])(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6]N[6])(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.6870	1.154	3	117.6870	1.332	3	117.4407	11.750	27	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	C-3:Br-1:Br-1:	C-3:	C(C[6a]C[6a]2)(CBr2)(H)	C(CC[6a]H)(Br)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CBr2)(H)	C(CC[6a]H)(Br)2	H(CC[6a]C)	116.0050	1.199	4	116.0050	1.438	4	116.0050	1.438	4	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	C-3:Cl-1:Cl-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCl2)(H)	C(CC[6a]H)(Cl)2	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCl2)(H)	C(CC[6a]H)(Cl)2	H(CC[6a]C)	117.0420	0.000	1	117.0420	0.000	1	117.0420	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	C-3:Cl-1:H-1:	C-3:	C(C[6a]C[6a]2)(CClH)(H)	C(CC[6a]H)(Cl)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClH)(H)	C(CC[6a]H)(Cl)(H)	H(CC[6a]C)	117.7050	0.000	1	117.7050	0.000	1	117.7050	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CHH)(H)	C(CC[6a]H)(H)2	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CHH)(H)	C(CC[6a]H)(H)2	H(CC[6a]C)	118.2987	1.595	3	118.2987	2.544	3	116.5028	2.629	86	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(CHH)(H)	C(CC[6a]H)(H)2	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6,6a])(CHH)(H)	C(CC[6a]H)(H)2	H(CC[6a]C)	117.3670	0.122	2	117.3670	0.015	2	116.5028	2.629	86	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6a]C[6a]2)(CHH)(H)	C(CC[6a]H)(H)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(H)	C(CC[6a]H)(H)2	H(CC[6a]C)	116.4149	1.607	81	116.4149	2.582	81	116.5028	2.629	86	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	C-3:H-1:I-1:	C-3:	C(C[6a]C[6a]2)(CHI)(H)	C(CC[6a]H)(H)(I)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHI)(H)	C(CC[6a]H)(H)(I)	H(CC[6a]C)	116.9050	0.659	6	116.9050	0.434	6	116.9050	0.434	6	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	C-3:H-1:O-1:	C-3:	C(C[6a]C[6a]2)(CHO)(H)	C(CC[6a]H)(H)(O)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHO)(H)	C(CC[6a]H)(H)(O)	H(CC[6a]C)	122.7060	0.000	1	122.7060	0.000	1	122.7060	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-1:N-1:	C-3:	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(N)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(N)2	H(CC[6a]C)	105.3750	0.000	1	105.3750	0.000	1	105.3750	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	N-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(NC[6a]C)(CHH)(H)	C(CHN)(H)2	H(CCN)	C(NC[6a]C)(CHH)(H)	C(CHN)(H)2	H(CCN)	130.5320	0.000	1	130.5320	0.000	1	130.5320	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(N[5]C[5]2)(CHH)(H)	C(CN[5]H)(H)2	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	C(CN[5]H)(H)2	H(CN[5]C)	119.1936	1.965	25	119.1936	3.861	25	119.0857	4.009	26	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(N[5]C[5]N[5])(CHH)(H)	C(CN[5]H)(H)2	H(CN[5]C)	C(N[5]C[5]N[5])(CHH)(H)	C(CN[5]H)(H)2	H(CN[5]C)	116.3880	0.000	1	116.3880	0.000	1	119.0857	4.009	26	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	N[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(N[5a]C[5a,6a]C[5a])(CHH)(H)	C(CN[5a]H)(H)2	H(CN[5a]C)	C(N[5a]C[5a,6a]C[5a])(CHH)(H)	C(CN[5a]H)(H)2	H(CN[5a]C)	116.8400	0.000	1	116.8400	0.000	1	117.5741	0.173	8	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	N[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(N[5a]C[5a]2)(CHH)(H)	C(CN[5a]H)(H)2	H(CN[5a]C)	C(N[5a]C[5a]2)(CHH)(H)	C(CN[5a]H)(H)2	H(CN[5a]C)	117.7148	0.328	6	117.7148	0.108	6	117.5741	0.173	8	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	N[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(N[5a]C[5a]N[5a])(CHH)(H)	C(CN[5a]H)(H)2	H(CN[5a]C)	C(N[5a]C[5a]N[5a])(CHH)(H)	C(CN[5a]H)(H)2	H(CN[5a]C)	117.4640	0.000	1	117.4640	0.000	1	117.5741	0.173	8	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	N[5a]-3:C-3:H-1:	C-3:H-1:I-1:	C-3:	C(N[5a]C[5a,6a]2)(CHI)(H)	C(CN[5a]H)(H)(I)	H(CN[5a]C)	C(N[5a]C[5a,6a]2)(CHI)(H)	C(CN[5a]H)(H)(I)	H(CN[5a]C)	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	O-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(OLiC)(CHH)(H)	C(CHO)(H)2	H(CCO)	C(OLiC)(CHH)(H)	C(CHO)(H)2	H(CCO)	124.7680	0.000	1	124.7680	0.000	1	124.7680	0.000	1	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	P-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PC[6a]2)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PC[6a]2)(CHH)(H)	C(CHP)(H)2	H(CCP)	120.9320	0.000	1	120.9320	0.000	1	119.3367	5.189	3	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	P-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PC[6a]C)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PC[6a]C)(CHH)(H)	C(CHP)(H)2	H(CCP)	118.5390	2.561	2	118.5390	6.559	2	119.3367	5.189	3	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	S-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SC[6a]Co)(CHH)(H)	C(CHS)(H)2	H(CCS)	C(SC[6a]Co)(CHH)(H)	C(CHS)(H)2	H(CCS)	119.7030	0.000	1	119.7030	0.000	1	118.5375	2.717	2	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:1:1:	3:	S-3:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SIrC)(CHH)(H)	C(CHS)(H)2	H(CCS)	C(SIrC)(CHH)(H)	C(CHS)(H)2	H(CCS)	117.3720	0.000	1	117.3720	0.000	1	118.5375	2.717	2	116.9018	6.521	790	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCH)(CH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)(CH)(H)	H(CCC)	123.8850	2.657	2	123.8850	7.061	2	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CN)(H)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CN)(H)	H(CCC)	116.8200	0.000	1	116.8200	0.000	1	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CH)(H)	H(CCC)	127.8500	0.000	1	127.8500	0.000	1	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(CC)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(CC)(H)	H(CCC)	117.5290	0.000	1	117.5290	0.000	1	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(CH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(CH)(H)	H(CCC)	116.2370	0.000	1	116.2370	0.000	1	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CC)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CC)(H)	H(CCC)	120.4664	7.183	9	120.4664	51.591	9	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CH)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CH)(H)	H(CCC)	121.9841	5.065	16	121.9841	25.653	16	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CSb)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CSb)(H)	H(CCC)	122.5000	0.000	1	122.5000	0.000	1	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CTe)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CTe)(H)	H(CCC)	125.8380	0.000	1	125.8380	0.000	1	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CC[5a]N)(CCH)(H)	C(CCH)(CH)(H)	H(CCC)	C(CC[5a]N)(CCH)(H)	C(CCH)(CH)(H)	H(CCC)	106.7300	0.000	1	106.7300	0.000	1	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CC[6a]N)(CCH)(H)	C(CCH)(CC)(H)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(CCH)(CC)(H)	H(CCC)	117.6780	0.000	1	117.6780	0.000	1	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CCH)(CC)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CCH)(CC)(H)	H(CCC)	119.7230	0.493	6	119.7230	0.243	6	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CCH)(CN)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CCH)(CN)(H)	H(CCC)	120.2610	0.000	1	120.2610	0.000	1	120.7975	28.989	42	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CCC)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	C(CCC)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	116.6610	0.000	1	116.6610	0.000	1	118.7550	2.506	49	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(NC)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(NC)(H)	H(CCC)	116.8640	0.000	1	116.8640	0.000	1	118.7550	2.506	49	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	118.8560	1.300	5	118.8560	1.690	5	118.7550	2.506	49	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CCN)(CHN)(H)	C(CCH)(NSi)(H)	H(CCC)	C(CCN)(CHN)(H)	C(CCH)(NSi)(H)	H(CCC)	114.8370	0.000	1	114.8370	0.000	1	118.7550	2.506	49	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CC[5a]C)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	C(CC[5a]C)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	117.4840	0.000	1	117.4840	0.000	1	118.7550	2.506	49	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CC[5a]H)(CHN)(H)	C(CCH)(NO)(H)	H(CCC)	C(CC[5a]H)(CHN)(H)	C(CCH)(NO)(H)	H(CCC)	120.0420	0.000	1	120.0420	0.000	1	118.7550	2.506	49	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CC[6a]2)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	C(CC[6a]2)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	117.2650	0.000	1	117.2650	0.000	1	118.7550	2.506	49	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(CCH)(NC)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(CCH)(NC)(H)	H(CCC)	118.6909	1.416	9	118.6909	2.004	9	118.7550	2.506	49	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	118.9850	1.585	26	118.9850	2.513	26	118.7550	2.506	49	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(CCH)(NO)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(CCH)(NO)(H)	H(CCC)	119.6740	0.277	2	119.6740	0.077	2	118.7550	2.506	49	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CHN)2(H)	C(CCH)(NS)(H)	H(CCC)	C(CHN)2(H)	C(CCH)(NS)(H)	H(CCC)	120.3870	0.000	1	120.3870	0.000	1	118.7550	2.506	49	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:O-1:	C-3:	C(CCH)(CNO)(H)	C(CCH)(NC)(O)	H(CCC)	C(CCH)(CNO)(H)	C(CCH)(NC)(O)	H(CCC)	118.1960	0.000	1	118.1960	0.000	1	117.5143	2.901	3	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(CCH)(NC)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(CCH)(NC)(O)	H(CCC)	118.7710	0.000	1	118.7710	0.000	1	117.5143	2.901	3	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(CCH)(NH)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(CCH)(NH)(O)	H(CCC)	115.5760	0.000	1	115.5760	0.000	1	117.5143	2.901	3	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:N-2:S-1:	C-3:	C(CC[6a]S)(CNS)(H)	C(CCH)(NC)(S)	H(CCC)	C(CC[6a]S)(CNS)(H)	C(CCH)(NC)(S)	H(CCC)	119.1890	0.000	1	119.1890	0.000	1	119.1890	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:C-1:	C-3:	C(CCO)2(H)	C(CCH)(ORu)(C)	H(CCC)	C(CCO)2(H)	C(CCH)(ORu)(C)	H(CCC)	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:Cl-1:	C-3:	C(CClO)(CCC)(H)	C(CCH)(OC)(Cl)	H(CCC)	C(CClO)(CCC)(H)	C(CCH)(OC)(Cl)	H(CCC)	113.9230	0.000	1	113.9230	0.000	1	115.4715	4.796	2	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:Cl-1:	C-3:	C(CClO)(CCH)(H)	C(CCH)(OC)(Cl)	H(CCC)	C(CClO)(CCH)(H)	C(CCH)(OC)(Cl)	H(CCC)	117.0200	0.000	1	117.0200	0.000	1	115.4715	4.796	2	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CCH)(CHO)(H)	C(CCH)(OAl)(H)	H(CCC)	C(CCH)(CHO)(H)	C(CCH)(OAl)(H)	H(CCC)	117.2310	0.000	1	117.2310	0.000	1	118.4802	5.618	20	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CCH)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	C(CCH)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	114.1820	0.000	1	114.1820	0.000	1	118.4802	5.618	20	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CCH)(CHO)(H)	C(CCH)(OMo)(H)	H(CCC)	C(CCH)(CHO)(H)	C(CCH)(OMo)(H)	H(CCC)	117.8260	0.000	1	117.8260	0.000	1	118.4802	5.618	20	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CCH)(CHO)(H)	C(CCH)(OP)(H)	H(CCC)	C(CCH)(CHO)(H)	C(CCH)(OP)(H)	H(CCC)	116.6475	0.839	2	116.6475	0.704	2	118.4802	5.618	20	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CCO)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	C(CCO)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	119.6208	2.806	6	119.6208	7.872	6	118.4802	5.618	20	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CC[6a]H)(CHO)(H)	C(CCH)(OAl)(H)	H(CCC)	C(CC[6a]H)(CHO)(H)	C(CCH)(OAl)(H)	H(CCC)	118.0917	1.896	3	118.0917	3.594	3	118.4802	5.618	20	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CC[6a]H)(CHO)(H)	C(CCH)(OB)(H)	H(CCC)	C(CC[6a]H)(CHO)(H)	C(CCH)(OB)(H)	H(CCC)	120.4610	0.000	1	120.4610	0.000	1	118.4802	5.618	20	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CHH)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	C(CHH)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	115.3640	0.000	1	115.3640	0.000	1	118.4802	5.618	20	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CHO)(COO)(H)	C(CCH)(OC)(H)	H(CCC)	C(CHO)(COO)(H)	C(CCH)(OC)(H)	H(CCC)	119.9920	1.254	2	119.9920	1.574	2	118.4802	5.618	20	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CHO)(COO)(H)	C(CCH)(ON)(H)	H(CCC)	C(CHO)(COO)(H)	C(CCH)(ON)(H)	H(CCC)	119.6305	1.272	2	119.6305	1.618	2	118.4802	5.618	20	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CBC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CBC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	119.4070	0.000	1	119.4070	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CB[5x3,5x5,20x6]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CB[5x3,5x5,20x6]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	116.3200	0.000	1	116.3200	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	116.8663	0.729	7	116.8663	0.531	7	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CCC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	116.9723	1.176	19	116.9723	1.383	19	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCC)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CCC)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	116.3127	1.470	40	116.3127	2.160	40	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCC)(COO)(H)	C(CCH)(OIr)(O)	H(CCC)	C(CCC)(COO)(H)	C(CCH)(OIr)(O)	H(CCC)	116.3245	0.433	2	116.3245	0.188	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCC)(COO)(H)	C(CCH)(OZn)(O)	H(CCC)	C(CCC)(COO)(H)	C(CCH)(OZn)(O)	H(CCC)	117.2100	0.000	1	117.2100	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	118.1303	1.602	152	118.1303	2.565	152	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(OCd)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OCd)(O)	H(CCC)	114.6870	0.445	2	114.6870	0.198	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(OCo)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OCo)(O)	H(CCC)	115.6003	2.668	3	115.6003	7.118	3	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(OCu)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OCu)(O)	H(CCC)	116.9530	1.198	4	116.9530	1.434	4	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(OEu)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OEu)(O)	H(CCC)	114.7775	0.134	2	114.7775	0.018	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(OFe)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OFe)(O)	H(CCC)	113.1170	0.000	1	113.1170	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	116.0110	2.480	457	116.0110	6.152	457	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(OMn)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OMn)(O)	H(CCC)	118.1417	0.180	3	118.1417	0.033	3	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(ONi)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(ONi)(O)	H(CCC)	117.2304	2.383	8	117.2304	5.680	8	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(OPt)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OPt)(O)	H(CCC)	118.5505	1.476	2	118.5505	2.178	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(ORe)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(ORe)(O)	H(CCC)	115.6800	0.000	1	115.6800	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(OSn)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OSn)(O)	H(CCC)	115.8578	2.179	4	115.8578	4.747	4	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(OZn)(O)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OZn)(O)	H(CCC)	115.2018	2.629	5	115.2018	6.910	5	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCI)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CCI)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	115.3520	0.000	1	115.3520	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCN)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CCN)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.7768	0.903	26	117.7768	0.816	26	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCO)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CCO)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.0871	1.739	8	117.0871	3.024	8	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCO)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CCO)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	117.8740	0.000	1	117.8740	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCP)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CCP)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.9800	0.000	1	117.9800	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCS)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CCS)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.5888	0.700	4	117.5888	0.489	4	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[3]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[3]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	116.8120	0.000	1	116.8120	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[3]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[3]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	118.6290	1.052	4	118.6290	1.107	4	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[4,5x6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[4,5x6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	120.0190	1.127	2	120.0190	1.270	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[4]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[4]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	119.5310	0.000	1	119.5310	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[5,6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[5,6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	118.0725	2.928	2	118.0725	8.574	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[5]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[5]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	114.9870	0.728	2	114.9870	0.530	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[5]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[5]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	118.5674	1.385	25	118.5674	1.918	25	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[5]H)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CC[5]H)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	119.5640	0.000	1	119.5640	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[5]N)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[5]N)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	119.0080	0.000	1	119.0080	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[5a]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[5a]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.2108	0.852	5	117.2108	0.726	5	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[5a]C[6a])(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[5a]C[6a])(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.1575	0.135	2	117.1575	0.018	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[5a]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[5a]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	119.2430	1.045	19	119.2430	1.093	19	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[5a]H)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CC[5a]H)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	117.4038	3.529	5	117.4038	12.453	5	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6,6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6,6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	120.0007	0.450	3	120.0007	0.203	3	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	116.7430	1.121	5	116.7430	1.256	5	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.2506	3.192	11	117.2506	10.190	11	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6]H)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CC[6]H)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	119.2824	1.345	12	119.2824	1.809	12	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]2)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6a]2)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	115.7280	1.485	6	115.7280	2.204	6	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]B[5])(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6a]B[5])(COO)(H)	C(CCH)(OC)(O)	H(CCC)	115.2530	0.000	1	115.2530	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6a]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	115.4975	1.503	2	115.4975	2.258	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]C)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CC[6a]C)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	116.8523	0.687	3	116.8523	0.471	3	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	119.0003	1.132	109	119.0003	1.282	109	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(OCu)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(OCu)(O)	H(CCC)	119.2420	0.000	1	119.2420	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	118.2623	1.276	117	118.2623	1.629	117	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(OMn)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(OMn)(O)	H(CCC)	117.2420	0.000	1	117.2420	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(ON)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(ON)(O)	H(CCC)	117.9790	0.899	2	117.9790	0.809	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(ONi)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(ONi)(O)	H(CCC)	117.7140	0.000	1	117.7140	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(OPt)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(OPt)(O)	H(CCC)	118.4960	0.409	2	118.4960	0.167	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(OZn)(O)	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(OZn)(O)	H(CCC)	118.3325	0.197	2	118.3325	0.039	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]N)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6a]N)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.7368	0.183	4	117.7368	0.034	4	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]N[5])(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6a]N[5])(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.2390	0.118	3	117.2390	0.014	3	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]N[6a])(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6a]N[6a])(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.3760	0.000	1	117.3760	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]O)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6a]O)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	116.4644	2.438	16	116.4644	5.943	16	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]P)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6a]P)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	116.7570	0.000	1	116.7570	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CC[6a]Se)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CC[6a]Se)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	118.5710	0.000	1	118.5710	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CClC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CClC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.1915	0.170	2	117.1915	0.029	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CClC)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CClC)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	118.7765	0.310	2	118.7765	0.096	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CGe[6]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CGe[6]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.5553	0.157	3	117.5553	0.025	3	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CHH)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CHH)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	118.2844	0.958	8	118.2844	0.918	8	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CHH)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CHH)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	119.2270	1.677	3	119.2270	2.813	3	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CHH)(COO)(H)	C(CCH)(ON)(O)	H(CCC)	C(CHH)(COO)(H)	C(CCH)(ON)(O)	H(CCC)	115.4060	0.000	1	115.4060	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CHH)(COO)(H)	C(CCH)(OP)(O)	H(CCC)	C(CHH)(COO)(H)	C(CCH)(OP)(O)	H(CCC)	120.6150	0.000	1	120.6150	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CHH)(COO)(H)	C(CCH)(OZn)(O)	H(CCC)	C(CHH)(COO)(H)	C(CCH)(OZn)(O)	H(CCC)	117.7465	0.790	2	117.7465	0.624	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CHI)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CHI)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	114.2720	0.000	1	114.2720	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CHN)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CHN)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	120.2055	1.399	4	120.2055	1.958	4	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CHO)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CHO)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	119.4266	1.142	9	119.4266	1.304	9	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CHS)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CHS)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	118.8529	0.678	10	118.8529	0.459	10	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CHS)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CHS)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	119.7650	0.973	2	119.7650	0.947	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CIrC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CIrC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	116.9445	0.576	2	116.9445	0.332	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CN[5]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CN[5]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	118.2677	1.286	9	118.2677	1.653	9	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CN[5]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CN[5]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	119.8210	1.185	14	119.8210	1.405	14	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CN[5]H)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CN[5]H)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	120.2420	0.000	1	120.2420	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CN[5a]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CN[5a]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	116.1530	0.000	1	116.1530	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CN[5a]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CN[5a]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	119.7690	0.195	2	119.7690	0.038	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CN[6,6]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CN[6,6]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	119.2140	0.000	1	119.2140	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CN[6]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CN[6]C)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.8268	1.374	5	117.8268	1.889	5	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CN[6]C)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	C(CN[6]C)(COO)(H)	C(CCH)(OH)(O)	H(CCC)	115.8222	1.096	12	115.8222	1.200	12	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CN[6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CN[6]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	119.7890	0.000	1	119.7890	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(COO)(CSS)(H)	C(CCH)(OC)(O)	H(CCC)	C(COO)(CSS)(H)	C(CCH)(OC)(O)	H(CCC)	118.3710	0.000	1	118.3710	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(COO)2(H)	C(CCH)(OC)(O)	H(CCC)	C(COO)2(H)	C(CCH)(OC)(O)	H(CCC)	118.7877	0.953	3	118.7877	0.907	3	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(COO)2(H)	C(CCH)(OCr)(O)	H(CCC)	C(COO)2(H)	C(CCH)(OCr)(O)	H(CCC)	110.5250	6.033	2	110.5250	36.398	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(COO)2(H)	C(CCH)(OCu)(O)	H(CCC)	C(COO)2(H)	C(CCH)(OCu)(O)	H(CCC)	106.2110	0.000	1	106.2110	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CP[4]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CP[4]H)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	118.7100	0.000	1	118.7100	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CRuC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CRuC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	118.8285	0.545	4	118.8285	0.297	4	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CRuO)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CRuO)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	114.5355	0.177	2	114.5355	0.032	2	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CSnC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CSnC)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.1180	0.000	1	117.1180	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CTeH)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CTeH)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	117.4800	0.000	1	117.4800	0.000	1	117.2542	5.278	1242	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(CCC)(CHS)(H)	C(CCH)(SPt)(H)	H(CCC)	C(CCC)(CHS)(H)	C(CCH)(SPt)(H)	H(CCC)	116.6060	0.543	3	116.6060	0.295	3	116.3824	0.991	10	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(CCH)(CHS)(H)	C(CCH)(SCo)(H)	H(CCC)	C(CCH)(CHS)(H)	C(CCH)(SCo)(H)	H(CCC)	117.4060	0.000	1	117.4060	0.000	1	116.3824	0.991	10	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(CCH)(CHS)(H)	C(CCH)(SPt)(H)	H(CCC)	C(CCH)(CHS)(H)	C(CCH)(SPt)(H)	H(CCC)	116.4185	0.626	2	116.4185	0.392	2	116.3824	0.991	10	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(CCN)(CHS)(H)	C(CCH)(SC)(H)	H(CCC)	C(CCN)(CHS)(H)	C(CCH)(SC)(H)	H(CCC)	114.3920	0.000	1	114.3920	0.000	1	116.3824	0.991	10	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(CC[6a]C)(CHS)(H)	C(CCH)(SPt)(H)	H(CCC)	C(CC[6a]C)(CHS)(H)	C(CCH)(SPt)(H)	H(CCC)	115.7790	0.062	2	115.7790	0.004	2	116.3824	0.991	10	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(CHS)(COO)(H)	C(CCH)(SC)(H)	H(CCC)	C(CHS)(COO)(H)	C(CCH)(SC)(H)	H(CCC)	117.8130	0.000	1	117.8130	0.000	1	116.3824	0.991	10	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:S-2:S-1:	C-3:	C(CC[5a]O)(CSS)(H)	C(CCH)(SC)(S)	H(CCC)	C(CC[5a]O)(CSS)(H)	C(CCH)(SC)(S)	H(CCC)	116.2965	1.357	2	116.2965	1.841	2	116.3458	0.922	16	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	C-3:S-2:S-1:	C-3:	C(CC[6a]O)(CSS)(H)	C(CCH)(SC)(S)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(CCH)(SC)(S)	H(CCC)	116.3529	0.960	14	116.3529	0.921	14	116.3458	0.922	16	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCH)(NHN)(H)	C(CHN)(CH)(H)	H(CCN)	C(CCH)(NHN)(H)	C(CHN)(CH)(H)	H(CCN)	123.8980	0.000	1	123.8980	0.000	1	123.8980	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	C-3:N-2:H-1:	C-3:	C(CHN)(NCC)(H)	C(CHN)(NC)(H)	H(CCN)	C(CHN)(NCC)(H)	C(CHN)(NC)(H)	H(CCN)	123.9890	0.000	1	123.9890	0.000	1	123.9890	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	C-3:N-2:O-1:	C-3:	C(CNO)(NOO)(H)	C(CHN)(NH)(O)	H(CCN)	C(CNO)(NOO)(H)	C(CHN)(NH)(O)	H(CCN)	120.5390	0.000	1	120.5390	0.000	1	120.5390	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C-3:	C(COO)(NCO)(H)	C(CHN)(OC)(O)	H(CCN)	C(COO)(NCO)(H)	C(CHN)(OC)(O)	H(CCN)	118.4060	0.000	1	118.4060	0.000	1	118.4060	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C-3:S-3:H-1:	C-3:S-2:H-1:	C-3:	C(CHS)(SCO)(H)	C(CHS)(SC)(H)	H(CCS)	C(CHS)(SCO)(H)	C(CHS)(SC)(H)	H(CCS)	118.9515	0.258	2	118.9515	0.067	2	118.9515	0.067	2	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[3]-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[3]C[3,6,6]N[3])(CCH)(H)	C(CC[3]H)(CN)(H)	H(CC[3]C)	C(C[3]C[3,6,6]N[3])(CCH)(H)	C(CC[3]H)(CN)(H)	H(CC[3]C)	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[3]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[3]C[3,5,6]2)(COO)(H)	C(CC[3]H)(OC)(O)	H(CC[3]C)	C(C[3]C[3,5,6]2)(COO)(H)	C(CC[3]H)(OC)(O)	H(CC[3]C)	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[4]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[4]C[4,4]N[4])(COO)(H)	C(CC[4]H)(OC)(O)	H(CC[4]C)	C(C[4]C[4,4]N[4])(COO)(H)	C(CC[4]H)(OC)(O)	H(CC[4]C)	117.6990	1.510	2	117.6990	2.281	2	119.3354	1.079	12	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[4]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[4]C[4]2)(COO)(H)	C(CC[4]H)(OC[6a])(O)	H(CC[4]C)	C(C[4]C[4]2)(COO)(H)	C(CC[4]H)(OC[6a])(O)	H(CC[4]C)	119.5560	0.000	1	119.5560	0.000	1	119.3354	1.079	12	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[4]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[4]C[4]2)(COO)(H)	C(CC[4]H)(OH)(O)	H(CC[4]C)	C(C[4]C[4]2)(COO)(H)	C(CC[4]H)(OH)(O)	H(CC[4]C)	119.2378	0.671	4	119.2378	0.450	4	119.3354	1.079	12	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[4]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[4]C[4]O[4])(COO)(H)	C(CC[4]H)(OC)(O)	H(CC[4]C)	C(C[4]C[4]O[4])(COO)(H)	C(CC[4]H)(OC)(O)	H(CC[4]C)	120.1930	0.194	3	120.1930	0.038	3	119.3354	1.079	12	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[4]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[4]N[4,5]C[4])(COO)(H)	C(CC[4]H)(OC)(O)	H(CC[4]C)	C(C[4]N[4,5]C[4])(COO)(H)	C(CC[4]H)(OC)(O)	H(CC[4]C)	120.0340	0.000	1	120.0340	0.000	1	119.3354	1.079	12	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[4]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[4]N[4,6]C[4])(COO)(H)	C(CC[4]H)(OC)(O)	H(CC[4]C)	C(C[4]N[4,6]C[4])(COO)(H)	C(CC[4]H)(OC)(O)	H(CC[4]C)	119.5070	0.000	1	119.5070	0.000	1	119.3354	1.079	12	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(C[5]C[5]N[5])(CHO)(H)	C(CC[5]H)(OPd)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CHO)(H)	C(CC[5]H)(OPd)(H)	H(CC[5]C)	118.1643	0.323	3	118.1643	0.104	3	118.1643	0.104	3	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[3,5]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[3,5]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	119.0200	0.000	1	119.0200	0.000	1	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[4,5,5]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[4,5,5]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	115.7440	0.000	1	115.7440	0.000	1	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5,5]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5,5]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	117.7715	0.996	2	117.7715	0.993	2	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5,5]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5,5]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	118.7215	0.368	6	118.7215	0.135	6	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5,5]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5,5]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	116.4342	3.518	4	116.4342	12.378	4	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5,5]O[5])(COO)(H)	C(CC[5]H)(OH)(O)	H(CC[5]C)	C(C[5]C[5,5]O[5])(COO)(H)	C(CC[5]H)(OH)(O)	H(CC[5]C)	118.6200	0.086	2	118.6200	0.007	2	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5,5a]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5,5a]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	117.6570	0.000	1	117.6570	0.000	1	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5,6]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5,6]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	116.0237	1.553	3	116.0237	2.412	3	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5,6]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5,6]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	118.0820	0.276	2	118.0820	0.076	2	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5,6a]2)(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5,6a]2)(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	111.6190	0.000	1	111.6190	0.000	1	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5,6a]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	116.3787	0.718	14	116.3787	0.515	14	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5,6a]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	116.2806	0.214	5	116.2806	0.046	5	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5,6a]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5,6a]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	116.2805	1.112	2	116.2805	1.237	2	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5]2)(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5]2)(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	113.4450	3.740	3	113.4450	13.991	3	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5]2)(COO)(H)	C(CC[5]H)(OH)(O)	H(CC[5]C)	C(C[5]C[5]2)(COO)(H)	C(CC[5]H)(OH)(O)	H(CC[5]C)	116.4850	3.458	2	116.4850	11.956	2	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5]N[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	117.7424	1.145	9	117.7424	1.310	9	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5]O[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	117.4427	1.632	20	117.4427	2.665	20	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]C[5]S[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]C[5]S[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	118.8420	0.311	2	118.8420	0.097	2	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]N[5,5]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]N[5,5]C[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	114.5510	0.000	1	114.5510	0.000	1	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]N[5]S[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]N[5]S[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	119.0290	0.000	1	119.0290	0.000	1	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5]O[5]S[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	C(C[5]O[5]S[5])(COO)(H)	C(CC[5]H)(OC)(O)	H(CC[5]C)	120.0230	0.000	1	120.0230	0.000	1	117.0544	3.669	83	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	C-3:S-2:S-1:	C-3:	C(C[5]S[5]2)(CSS)(H)	C(CC[5]H)(SC[5])(S)	H(CC[5]C)	C(C[5]S[5]2)(CSS)(H)	C(CC[5]H)(SC[5])(S)	H(CC[5]C)	117.1040	0.000	1	117.1040	0.000	1	117.1040	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CN)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CN)(H)	H(CC[5a]C)	116.0810	0.000	1	116.0810	0.000	1	117.2040	1.082	9	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CC)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CC)(H)	H(CC[5a]C)	115.7620	0.000	1	115.7620	0.000	1	117.2040	1.082	9	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CH)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CH)(H)	H(CC[5a]C)	118.0960	0.000	1	118.0960	0.000	1	117.2040	1.082	9	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CN)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CN)(H)	H(CC[5a]C)	116.8800	1.283	2	116.8800	1.645	2	117.2040	1.082	9	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CN)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CN)(H)	H(CC[5a]C)	117.5315	0.725	2	117.5315	0.525	2	117.2040	1.082	9	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[5a]N[5a]2)(CCH)(H)	C(CC[5a]H)(CN)(H)	H(CC[5a]C)	C(C[5a]N[5a]2)(CCH)(H)	C(CC[5a]H)(CN)(H)	H(CC[5a]C)	118.0370	0.731	2	118.0370	0.535	2	117.2040	1.082	9	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CHN)(H)	C(CC[5a]H)(NC)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CHN)(H)	C(CC[5a]H)(NC)(H)	H(CC[5a]C)	117.1100	0.270	2	117.1100	0.073	2	117.1100	0.073	2	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5a]C[5a,6a]O[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	H(CC[5a]C)	C(C[5a]C[5a,6a]O[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	H(CC[5a]C)	116.1295	0.743	2	116.1295	0.552	2	118.6370	2.437	22	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5a]C[5a,6a]O[5a])(COO)(H)	C(CC[5a]H)(OH)(O)	H(CC[5a]C)	C(C[5a]C[5a,6a]O[5a])(COO)(H)	C(CC[5a]H)(OH)(O)	H(CC[5a]C)	116.9260	0.196	4	116.9260	0.038	4	118.6370	2.437	22	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5a]C[5a,6a]S[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	H(CC[5a]C)	C(C[5a]C[5a,6a]S[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	H(CC[5a]C)	117.6175	0.457	2	117.6175	0.209	2	118.6370	2.437	22	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5a]C[5a]S[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	H(CC[5a]C)	119.4918	0.745	13	119.4918	0.555	13	118.6370	2.437	22	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[5a]N[5,5a]C[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	H(CC[5a]C)	C(C[5a]N[5,5a]C[5a])(COO)(H)	C(CC[5a]H)(OC)(O)	H(CC[5a]C)	121.4240	0.000	1	121.4240	0.000	1	118.6370	2.437	22	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CHS)(H)	C(CC[5a]H)(SC)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CHS)(H)	C(CC[5a]H)(SC)(H)	H(CC[5a]C)	117.5740	0.000	1	117.5740	0.000	1	117.2810	0.172	2	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(C[5a]N[5a,6]C[5a])(CHS)(H)	C(CC[5a]H)(SC)(H)	H(CC[5a]C)	C(C[5a]N[5a,6]C[5a])(CHS)(H)	C(CC[5a]H)(SC)(H)	H(CC[5a]C)	116.9880	0.000	1	116.9880	0.000	1	117.2810	0.172	2	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6,6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6,6]C[3x6]2)(COO)(H)	C(CC[6,6]H)(OC)(O)	H(CC[6,6]C)	C(C[6,6]C[3x6]2)(COO)(H)	C(CC[6,6]H)(OC)(O)	H(CC[6,6]C)	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[5,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[5,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	116.6120	0.000	1	116.6120	0.000	1	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[5,6]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[5,6]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	114.6970	0.000	1	114.6970	0.000	1	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[5a,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[5a,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	111.5370	0.000	1	111.5370	0.000	1	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[5a,6]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[5a,6]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	117.2630	0.000	1	117.2630	0.000	1	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[6,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	115.3845	1.890	2	115.3845	3.572	2	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6,6]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[6,6]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	116.1633	1.665	3	116.1633	2.771	3	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6,6a]C[5,6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[6,6a]C[5,6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	116.2820	0.000	1	116.2820	0.000	1	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6,6a]C[6,6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[6,6a]C[6,6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	116.8500	0.000	1	116.8500	0.000	1	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6,6a]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	116.8550	0.557	5	116.8550	0.310	5	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6,6a]C[6])(COO)(H)	C(CC[6]H)(OH)(O)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(COO)(H)	C(CC[6]H)(OH)(O)	H(CC[6]C)	115.1586	1.554	5	115.1586	2.414	5	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6,6a]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[6,6a]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	115.0060	2.944	2	115.0060	8.669	2	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6,6a]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[6,6a]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	117.1320	0.000	1	117.1320	0.000	1	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6]2)(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[6]2)(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	116.9675	0.542	2	116.9675	0.294	2	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6]2)(COO)(H)	C(CC[6]H)(OC[6])(O)	H(CC[6]C)	C(C[6]C[6]2)(COO)(H)	C(CC[6]H)(OC[6])(O)	H(CC[6]C)	116.7160	0.000	1	116.7160	0.000	1	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6]2)(COO)(H)	C(CC[6]H)(OH)(O)	H(CC[6]C)	C(C[6]C[6]2)(COO)(H)	C(CC[6]H)(OH)(O)	H(CC[6]C)	117.7560	0.000	1	117.7560	0.000	1	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[6]N[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	118.6606	0.684	10	118.6606	0.468	10	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	117.1506	0.909	16	117.1506	0.825	16	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]C[6]O[6])(COO)(H)	C(CC[6]H)(OC[6a])(O)	H(CC[6]C)	C(C[6]C[6]O[6])(COO)(H)	C(CC[6]H)(OC[6a])(O)	H(CC[6]C)	118.0300	0.000	1	118.0300	0.000	1	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]N[5,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]N[5,6]C[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	117.4900	0.000	1	117.4900	0.000	1	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(C[6]N[6]S[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	C(C[6]N[6]S[6])(COO)(H)	C(CC[6]H)(OC)(O)	H(CC[6]C)	118.4927	0.198	3	118.4927	0.039	3	116.9514	2.592	59	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC)(H)	H(CC[6a]C)	116.9150	0.000	1	116.9150	0.000	1	116.6595	0.865	8	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN)(H)	H(CC[6a]C)	116.3512	0.773	5	116.3512	0.597	5	116.6595	0.865	8	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(COs)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(COs)(H)	H(CC[6a]C)	117.3025	1.515	2	117.3025	2.296	2	116.6595	0.865	8	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NC)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NC)(H)	H(CC[6a]C)	115.3145	1.131	2	115.3145	1.278	2	115.7860	1.306	3	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NS)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NS)(H)	H(CC[6a]C)	116.7290	0.000	1	116.7290	0.000	1	115.7860	1.306	3	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(C[6a]C[6a]2)(CHO)(H)	C(CC[6a]H)(OC)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHO)(H)	C(CC[6a]H)(OC)(H)	H(CC[6a]C)	115.2380	0.000	1	115.2380	0.000	1	115.1630	0.011	2	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(C[6a]C[6a]2)(CHO)(H)	C(CC[6a]H)(OP)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHO)(H)	C(CC[6a]H)(OP)(H)	H(CC[6a]C)	115.0880	0.000	1	115.0880	0.000	1	115.1630	0.011	2	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	C-3:S-2:Br-1:	C-3:	C(C[6a]C[6a]2)(CBrS)(H)	C(CC[6a]H)(SC[6a])(Br)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBrS)(H)	C(CC[6a]H)(SC[6a])(Br)	H(CC[6a]C)	113.9350	0.000	1	113.9350	0.000	1	113.9350	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(C[6a]C[6a]2)(CHS)(H)	C(CC[6a]H)(SC)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(H)	C(CC[6a]H)(SC)(H)	H(CC[6a]C)	117.2390	0.000	1	117.2390	0.000	1	117.2390	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(NCoN)(CHN)(H)	C(CHN)(NN)(H)	H(CCN)	C(NCoN)(CHN)(H)	C(CHN)(NN)(H)	H(CCN)	116.9945	0.138	2	116.9945	0.019	2	117.4524	0.374	5	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(NNiN)(CHN)(H)	C(CHN)(NN)(H)	H(CCN)	C(NNiN)(CHN)(H)	C(CHN)(NN)(H)	H(CCN)	117.4755	0.548	2	117.4755	0.300	2	117.4524	0.374	5	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(NPdN)(CHN)(H)	C(CHN)(NN)(H)	H(CCN)	C(NPdN)(CHN)(H)	C(CHN)(NN)(H)	H(CCN)	118.3220	0.000	1	118.3220	0.000	1	117.4524	0.374	5	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(NCoH)(COO)(H)	C(CHN)(OCo)(O)	H(CCN)	C(NCoH)(COO)(H)	C(CHN)(OCo)(O)	H(CCN)	106.5610	0.000	1	106.5610	0.000	1	112.9335	81.218	2	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(NZrN)(COO)(H)	C(CHN)(OC)(O)	H(CCN)	C(NZrN)(COO)(H)	C(CHN)(OC)(O)	H(CCN)	119.3060	0.000	1	119.3060	0.000	1	112.9335	81.218	2	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	N[5]-3:C-3:H-1:	C-3:C-2:Br-1:	C-3:	C(N[5]C[5]2)(CBrC)(H)	C(CN[5]H)(CN)(Br)	H(CN[5]C)	C(N[5]C[5]2)(CBrC)(H)	C(CN[5]H)(CN)(Br)	H(CN[5]C)	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:1:	3:	S-3:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(SMo2)(CHS)(H)	C(CHS)(SMo)(H)	H(CCS)	C(SMo2)(CHS)(H)	C(CHS)(SMo)(H)	H(CCS)	120.2310	0.000	1	120.2310	0.000	1	120.2310	0.000	1	117.4082	5.946	1612	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(CCC)(CCH)(H)	C(CCH)(CN)2	H(CCC)	C(CCC)(CCH)(H)	C(CCH)(CN)2	H(CCC)	117.2952	0.567	10	117.2952	0.321	10	117.1130	0.513	20	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(CCC)2(H)	C(CCH)(CN)2	H(CCC)	C(CCC)2(H)	C(CCH)(CN)2	H(CCC)	115.9585	0.506	2	115.9585	0.256	2	117.1130	0.513	20	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(CC[5]C)(CCC)(H)	C(CCH)(CN)2	H(CCC)	C(CC[5]C)(CCC)(H)	C(CCH)(CN)2	H(CCC)	117.2510	0.000	1	117.2510	0.000	1	117.1130	0.513	20	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(CC[6a]2)(CCC)(H)	C(CCH)(CN)2	H(CCC)	C(CC[6a]2)(CCC)(H)	C(CCH)(CN)2	H(CCC)	117.7250	0.000	1	117.7250	0.000	1	117.1130	0.513	20	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(CC[6a]C)(CCC)(H)	C(CCH)(CN)2	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CCH)(CN)2	H(CCC)	117.0220	0.000	1	117.0220	0.000	1	117.1130	0.513	20	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(CC[6a]C[5])(CCC)(H)	C(CCH)(CN)2	H(CCC)	C(CC[6a]C[5])(CCC)(H)	C(CCH)(CN)2	H(CCC)	115.8920	0.000	1	115.8920	0.000	1	117.1130	0.513	20	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(CC[6a]H)(CCC)(H)	C(CCH)(CN)2	H(CCC)	C(CC[6a]H)(CCC)(H)	C(CCH)(CN)2	H(CCC)	116.7850	0.055	2	116.7850	0.003	2	117.1130	0.513	20	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(COsC)(CCC)(H)	C(CCH)(CN)2	H(CCC)	C(COsC)(CCC)(H)	C(CCH)(CN)2	H(CCC)	118.1120	0.000	1	118.1120	0.000	1	117.1130	0.513	20	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(CRuC)(CCC)(H)	C(CCH)(CN)2	H(CCC)	C(CRuC)(CCC)(H)	C(CCH)(CN)2	H(CCC)	117.8190	0.000	1	117.8190	0.000	1	117.1130	0.513	20	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:N-2:O-2:	C-3:	C(CBrC)(CNO)(H)	C(CCH)(NS)(OC)	H(CCC)	C(CBrC)(CNO)(H)	C(CCH)(NS)(OC)	H(CCC)	118.2390	0.000	1	118.2390	0.000	1	117.0500	2.827	2	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:N-2:O-2:	C-3:	C(CCH)(CNO)(H)	C(CCH)(NC)(OC)	H(CCC)	C(CCH)(CNO)(H)	C(CCH)(NC)(OC)	H(CCC)	115.8610	0.000	1	115.8610	0.000	1	117.0500	2.827	2	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:C-2:	C-3:	C(CCO)2(H)	C(CCH)(OIr)(CC)	H(CCC)	C(CCO)2(H)	C(CCH)(OIr)(CC)	H(CCC)	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:N-2:	C-3:	C(CC[6a]H)(CNO)(H)	C(CCH)(ONi)(NC)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(CCH)(ONi)(NC)	H(CCC)	117.8550	0.000	1	117.8550	0.000	1	118.2165	0.927	4	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:N-2:	C-3:	C(CC[6a]H)(CNO)(H)	C(CCH)(OZn)(NC)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(CCH)(OZn)(NC)	H(CCC)	118.9315	0.697	2	118.9315	0.485	2	118.2165	0.927	4	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:N-2:	C-3:	C(CHH)(CNO)(H)	C(CCH)(ONi)(NH)	H(CCC)	C(CHH)(CNO)(H)	C(CCH)(ONi)(NH)	H(CCC)	117.1480	0.000	1	117.1480	0.000	1	118.2165	0.927	4	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCH)(COO)(H)	C(CCH)(ONb)(OC)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(ONb)(OC)	H(CCC)	111.4675	1.575	2	111.4675	2.480	2	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCH)(COO)(H)	C(CCH)(OZn)2	H(CCC)	C(CCH)(COO)(H)	C(CCH)(OZn)2	H(CCC)	118.2220	0.082	2	118.2220	0.007	2	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCN)(COO)(H)	C(CCH)(ONi)(OC)	H(CCC)	C(CCN)(COO)(H)	C(CCH)(ONi)(OC)	H(CCC)	117.2890	1.376	2	117.2890	1.893	2	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCN)(COO)(H)	C(CCH)(OZn)(OC)	H(CCC)	C(CCN)(COO)(H)	C(CCH)(OZn)(OC)	H(CCC)	116.6420	0.137	4	116.6420	0.019	4	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCO)(COO)(H)	C(CCH)(OAl)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CCH)(OAl)(OC)	H(CCC)	118.7247	0.421	6	118.7247	0.177	6	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCO)(COO)(H)	C(CCH)(OCo)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CCH)(OCo)(OC)	H(CCC)	117.6050	0.394	5	117.6050	0.155	5	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCO)(COO)(H)	C(CCH)(OCu)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CCH)(OCu)(OC)	H(CCC)	118.0820	0.000	1	118.0820	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCO)(COO)(H)	C(CCH)(OFe)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CCH)(OFe)(OC)	H(CCC)	118.2590	0.159	5	118.2590	0.025	5	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCO)(COO)(H)	C(CCH)(OLi)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CCH)(OLi)(OC)	H(CCC)	116.7198	0.219	4	116.7198	0.048	4	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCO)(COO)(H)	C(CCH)(OMg)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CCH)(OMg)(OC)	H(CCC)	118.1842	0.320	5	118.1842	0.102	5	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCO)(COO)(H)	C(CCH)(ONi)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CCH)(ONi)(OC)	H(CCC)	116.8115	1.238	6	116.8115	1.533	6	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCO)(COO)(H)	C(CCH)(OZn)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CCH)(OZn)(OC)	H(CCC)	117.7474	0.432	5	117.7474	0.186	5	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CC[6a]C)(COO)(H)	C(CCH)(OCo)(OC)	H(CCC)	C(CC[6a]C)(COO)(H)	C(CCH)(OCo)(OC)	H(CCC)	119.1670	0.000	1	119.1670	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(OB)(OC)	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(OB)(OC)	H(CCC)	119.4980	0.000	1	119.4980	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(OCu)2	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(OCu)2	H(CCC)	116.7080	0.000	1	116.7080	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(OFe)2	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(OFe)2	H(CCC)	118.1390	0.000	1	118.1390	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(OGa)(OC)	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(OGa)(OC)	H(CCC)	119.0000	0.000	1	119.0000	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CC[6a]H)(COO)(H)	C(CCH)(OMn)(ONi)	H(CCC)	C(CC[6a]H)(COO)(H)	C(CCH)(OMn)(ONi)	H(CCC)	108.2670	0.000	1	108.2670	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CCoC)(COO)(H)	C(CCH)(OCo)(OC)	H(CCC)	C(CCoC)(COO)(H)	C(CCH)(OCo)(OC)	H(CCC)	122.8350	0.000	1	122.8350	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CHH)(COO)(H)	C(CCH)(OAl)2	H(CCC)	C(CHH)(COO)(H)	C(CCH)(OAl)2	H(CCC)	118.7485	0.472	2	118.7485	0.222	2	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CIrC)(COO)(H)	C(CCH)(OIr)(OC)	H(CCC)	C(CIrC)(COO)(H)	C(CCH)(OIr)(OC)	H(CCC)	122.2427	0.080	3	122.2427	0.006	3	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CMnP)(COO)(H)	C(CCH)(OMn)(OC)	H(CCC)	C(CMnP)(COO)(H)	C(CCH)(OMn)(OC)	H(CCC)	123.7790	0.000	1	123.7790	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(COO)2(H)	C(CCH)(OCu)2	H(CCC)	C(COO)2(H)	C(CCH)(OCu)2	H(CCC)	102.8420	0.000	1	102.8420	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(COO)2(H)	C(CCH)(OFe)(OC)	H(CCC)	C(COO)2(H)	C(CCH)(OFe)(OC)	H(CCC)	118.8325	0.037	2	118.8325	0.001	2	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(COO)2(H)	C(CCH)(OOs)(OC)	H(CCC)	C(COO)2(H)	C(CCH)(OOs)(OC)	H(CCC)	119.0945	0.062	2	119.0945	0.004	2	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(COO)2(H)	C(CCH)(OPd)(OC)	H(CCC)	C(COO)2(H)	C(CCH)(OPd)(OC)	H(CCC)	118.4780	2.217	2	118.4780	4.917	2	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(COO)2(H)	C(CCH)(ORu)(OC)	H(CCC)	C(COO)2(H)	C(CCH)(ORu)(OC)	H(CCC)	118.7540	0.000	1	118.7540	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(COsC)(COO)(H)	C(CCH)(OOs)(OC)	H(CCC)	C(COsC)(COO)(H)	C(CCH)(OOs)(OC)	H(CCC)	122.4557	0.248	3	122.4557	0.062	3	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(COsH)(COO)(H)	C(CCH)(OOs)(OC)	H(CCC)	C(COsH)(COO)(H)	C(CCH)(OOs)(OC)	H(CCC)	122.9940	0.000	1	122.9940	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(CRuC)(COO)(H)	C(CCH)(ORu)(OC)	H(CCC)	C(CRuC)(COO)(H)	C(CCH)(ORu)(OC)	H(CCC)	122.0290	0.000	1	122.0290	0.000	1	118.0287	9.473	73	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:C-2:	C-3:	C(CCH)(CCS)(H)	C(CCH)(SNi)(CN)	H(CCC)	C(CCH)(CCS)(H)	C(CCH)(SNi)(CN)	H(CCC)	117.8655	0.179	2	117.8655	0.032	2	117.1710	0.687	4	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:C-2:	C-3:	C(CCH)(CCS)(H)	C(CCH)(SPt)(CN)	H(CCC)	C(CCH)(CCS)(H)	C(CCH)(SPt)(CN)	H(CCC)	116.4765	0.315	2	116.4765	0.099	2	117.1710	0.687	4	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CCO)(CSS)(H)	C(CCH)(SC)2	H(CCC)	C(CCO)(CSS)(H)	C(CCH)(SC)2	H(CCC)	118.4850	0.000	1	118.4850	0.000	1	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[5]O)(CSS)(H)	C(CCH)(SC)2	H(CCC)	C(CC[5]O)(CSS)(H)	C(CCH)(SC)2	H(CCC)	118.1154	1.174	9	118.1154	1.378	9	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[5a]O)(CSS)(H)	C(CCH)(SC)2	H(CCC)	C(CC[5a]O)(CSS)(H)	C(CCH)(SC)2	H(CCC)	118.0150	0.000	1	118.0150	0.000	1	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[5a]O)(CSS)(H)	C(CCH)(SCu)(SC)	H(CCC)	C(CC[5a]O)(CSS)(H)	C(CCH)(SCu)(SC)	H(CCC)	115.6590	0.000	1	115.6590	0.000	1	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[6]O)(CSS)(H)	C(CCH)(SPt)(SC)	H(CCC)	C(CC[6]O)(CSS)(H)	C(CCH)(SPt)(SC)	H(CCC)	115.7620	0.000	1	115.7620	0.000	1	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[6a]C)(CSS)(H)	C(CCH)(SC)2	H(CCC)	C(CC[6a]C)(CSS)(H)	C(CCH)(SC)2	H(CCC)	115.3945	0.166	2	115.3945	0.028	2	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(CCH)(SC)2	H(CCC)	C(CC[6a]O)(CSS)(H)	C(CCH)(SC)2	H(CCC)	118.1157	0.456	3	118.1157	0.208	3	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(CCH)(SCu)(SC)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(CCH)(SCu)(SC)	H(CCC)	115.4900	0.106	2	115.4900	0.011	2	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(CCH)(SCu)2	H(CCC)	C(CC[6a]O)(CSS)(H)	C(CCH)(SCu)2	H(CCC)	115.7870	0.000	1	115.7870	0.000	1	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(CCH)(SNi)(SC)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(CCH)(SNi)(SC)	H(CCC)	116.9058	0.206	9	116.9058	0.042	9	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(CCH)(SPd)(SC)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(CCH)(SPd)(SC)	H(CCC)	115.7480	0.000	1	115.7480	0.000	1	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(CCH)(SPt)(SC)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(CCH)(SPt)(SC)	H(CCC)	116.0119	0.711	16	116.0119	0.506	16	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(CCH)(SRu)(SC)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(CCH)(SRu)(SC)	H(CCC)	116.0760	0.000	1	116.0760	0.000	1	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	C-3:S-2:S-2:	C-3:	C(COO)(CSS)(H)	C(CCH)(SC)2	H(CCC)	C(COO)(CSS)(H)	C(CCH)(SC)2	H(CCC)	118.3910	0.000	1	118.3910	0.000	1	116.7637	1.446	49	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:N-3:H-1:	C-3:C-2:C-2:	C-3:	C(CCC)(NCC)(H)	C(CHN)(CN)2	H(CCN)	C(CCC)(NCC)(H)	C(CHN)(CN)2	H(CCN)	114.9230	0.000	1	114.9230	0.000	1	114.9230	0.000	1	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:N-3:H-1:	C-3:S-2:S-2:	C-3:	C(CSS)(NCC)(H)	C(CHN)(SS)2	H(CCN)	C(CSS)(NCC)(H)	C(CHN)(SS)2	H(CCN)	117.3740	0.000	1	117.3740	0.000	1	118.0980	1.048	2	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C-3:N-3:H-1:	C-3:S-2:S-2:	C-3:	C(CSS)(NOO)(H)	C(CHN)(SNi)2	H(CCN)	C(CSS)(NOO)(H)	C(CHN)(SNi)2	H(CCN)	118.8220	0.000	1	118.8220	0.000	1	118.0980	1.048	2	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[5]-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(C[5]C[5]N[5])(CCC)(H)	C(CC[5]H)(CN)2	H(CC[5]C)	C(C[5]C[5]N[5])(CCC)(H)	C(CC[5]H)(CN)2	H(CC[5]C)	116.6795	0.662	4	116.6795	0.438	4	116.6795	0.438	4	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(C[5a]C[5a]2)(CCC)(H)	C(CC[5a]H)(CN)2	H(CC[5a]C)	C(C[5a]C[5a]2)(CCC)(H)	C(CC[5a]H)(CN)2	H(CC[5a]C)	115.4990	1.916	2	115.4990	3.672	2	115.0511	0.298	24	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CN)2	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CN)2	H(CC[5a]C)	115.2060	0.000	1	115.2060	0.000	1	115.0511	0.298	24	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CN)2	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CN)2	H(CC[5a]C)	115.0011	0.368	21	115.0011	0.135	21	115.0511	0.298	24	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[6,6]-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(C[6,6]C[4x6]C[6,6])(COO)(H)	C(CC[6,6]H)(OC)2	H(CC[6,6]C)	C(C[6,6]C[4x6]C[6,6])(COO)(H)	C(CC[6,6]H)(OC)2	H(CC[6,6]C)	117.8090	0.000	1	117.8090	0.000	1	117.8090	0.000	1	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[6]-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(C[6]C[5,6,6]C[6])(COO)(H)	C(CC[6]H)(OC)2	H(CC[6]C)	C(C[6]C[5,6,6]C[6])(COO)(H)	C(CC[6]H)(OC)2	H(CC[6]C)	116.6180	0.348	2	116.6180	0.121	2	116.6180	0.121	2	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CN)2	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CN)2	H(CC[6a]C)	116.9300	0.000	1	116.9300	0.000	1	115.1754	1.896	77	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(C[6a]C[5a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CN)2	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CN)2	H(CC[6a]C)	115.7350	0.000	2	115.7350	0.000	2	115.1754	1.896	77	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CC[6a]H)(CN)2	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CC[6a]H)(CN)2	H(CC[6a]C)	115.7900	0.927	3	115.7900	0.859	3	115.1754	1.896	77	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CN)2	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CN)2	H(CC[6a]C)	116.7214	1.493	14	116.7214	2.228	14	115.1754	1.896	77	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CN)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CN)2	H(CC[6a]C)	114.7129	1.060	57	114.7129	1.124	57	115.1754	1.896	77	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-2:N-2:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CN)(NC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CN)(NC)	H(CC[6a]C)	115.1697	0.581	3	115.1697	0.337	3	115.1697	0.337	3	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	C-3:O-2:C-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[5])(CC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[5])(CC)	H(CC[6a]C)	115.0260	0.000	1	115.0260	0.000	1	114.7845	0.117	2	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	C-3:O-2:C-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[6])(CC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[6])(CC)	H(CC[6a]C)	114.5430	0.000	1	114.5430	0.000	1	114.7845	0.117	2	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-2:	C-3:	C(C[6a]C[6a]2)(COO)(H)	C(CC[6a]H)(OC[6a])2	H(CC[6a]C)	C(C[6a]C[6a]2)(COO)(H)	C(CC[6a]H)(OC[6a])2	H(CC[6a]C)	118.1477	0.283	3	118.1477	0.080	3	118.1477	0.080	3	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:2:	3:	N-3:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(NC[6a]H)(CCC)(H)	C(CHN)(CN)2	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CHN)(CN)2	H(CCN)	117.6020	0.000	1	117.6020	0.000	1	117.6020	0.000	1	116.5466	4.905	273	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C-3:S-2:C-3:	C-3:	C(CC[6a]O)(CCS)(H)	C(CC[6a]O)(SC[5a])(CCH)	H(CCC)	C(CC[6a]O)(CCS)(H)	C(CC[6a]O)(SC[5a])(CCH)	H(CCC)	118.6740	0.000	1	118.6740	0.000	1	118.6740	0.000	1	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-2:C-3:	C-3:	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	H(CCC)	113.9435	1.156	2	113.9435	1.337	2	115.1119	2.025	7	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-2:C-3:	C-3:	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	H(CCC)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	H(CCC)	116.3910	0.000	1	116.3910	0.000	1	115.1119	2.025	7	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-2:C-3:	C-3:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	H(CCC)	117.5090	0.000	1	117.5090	0.000	1	115.1119	2.025	7	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-2:C-3:	C-3:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	H(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	H(CCC)	114.4060	0.000	1	114.4060	0.000	1	115.1119	2.025	7	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-2:C-3:	C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	H(CCC)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	H(CCC)	114.7950	0.051	2	114.7950	0.003	2	115.1119	2.025	7	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:O-2:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	H(CCC)	117.7450	0.000	1	117.7450	0.000	1	117.4848	1.215	6	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:O-2:C-3:	C-3:	C(CC[6a]O)(CHO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	H(CCC)	C(CC[6a]O)(CHO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	H(CCC)	119.5910	0.000	1	119.5910	0.000	1	117.4848	1.215	6	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:O-2:C-3:	C-3:	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[5])(CCH)	H(CCC)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[5])(CCH)	H(CCC)	116.6100	0.000	1	116.6100	0.000	1	117.4848	1.215	6	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:O-2:C-3:	C-3:	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	H(CCC)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	H(CCC)	116.9877	0.176	3	116.9877	0.031	3	117.4848	1.215	6	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:S-2:C-3:	C-3:	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	H(CCC)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	H(CCC)	117.2220	0.000	1	117.2220	0.000	1	116.9770	0.120	2	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:S-2:C-3:	C-3:	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	H(CCC)	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	H(CCC)	116.7320	0.000	1	116.7320	0.000	1	116.9770	0.120	2	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:Se-2:C-3:	C-3:	C(CC[6a]Se)(COO)(H)	C(C[6a]C[6a]2)(SeC[6a])(CCH)	H(CCC)	C(CC[6a]Se)(COO)(H)	C(C[6a]C[6a]2)(SeC[6a])(CCH)	H(CCC)	118.5690	0.000	1	118.5690	0.000	1	118.5690	0.000	1	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:N-3:H-1:	C-3:S-2:C-3:	C-3:	C(CCS)(NCC)(H)	C(CC[6a]O)(SC[6a])(CHN)	H(CCN)	C(CCS)(NCC)(H)	C(CC[6a]O)(SC[6a])(CHN)	H(CCN)	112.5000	0.000	1	112.5000	0.000	1	112.5000	0.000	1	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:N-3:H-1:	C[5a]-3:O-2:C-3:	C-3:	C(CC[5a]O)(NCC)(H)	C(C[5a]N[5a]O[5a])(OC[6a])(CHN)	H(CCN)	C(CC[5a]O)(NCC)(H)	C(C[5a]N[5a]O[5a])(OC[6a])(CHN)	H(CCN)	114.2272	0.446	6	114.2272	0.199	6	114.2272	0.199	6	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:N-3:H-1:	C[6a]-3:N-2:C-3:	C-3:	C(CC[6a]N)(NC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a])(CHN)	H(CCN)	C(CC[6a]N)(NC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a])(CHN)	H(CCN)	120.7990	0.000	1	120.7990	0.000	1	120.7990	0.000	1	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:N-3:H-1:	C[6a]-3:O-2:C-3:	C-3:	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(ON[6])(CHN)	H(CCN)	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(ON[6])(CHN)	H(CCN)	118.4797	0.221	4	118.4797	0.049	4	118.4797	0.049	4	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C-3:P-3:H-1:	C[6a]-3:S-2:C-3:	C-3:	C(CC[6a]S)(PC[6]2)(H)	C(C[6a]C[6a]2)(SC[6a])(CHP)	H(CCP)	C(CC[6a]S)(PC[6]2)(H)	C(C[6a]C[6a]2)(SC[6a])(CHP)	H(CCP)	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C-3:O-2:C-3:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[6a])(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[6a])(COO)	H(CC[6a]C)	114.8530	0.000	1	114.8530	0.000	1	114.8530	0.000	1	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	C-3:S-2:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(SC[6a])(CCC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(SC[6a])(CCC)	H(CC[6a]C)	116.4090	0.000	1	116.4090	0.000	1	116.4090	0.000	1	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:3:	3:	N-3:C-3:H-1:	S-3:S-2:C-3:	C-3:	C(NReC)(CSS)(H)	C(SC[6a]Re)(SC[6a])(CHN)	H(CCN)	C(NReC)(CSS)(H)	C(SC[6a]Re)(SC[6a])(CHN)	H(CCN)	118.4023	0.648	6	118.4023	0.420	6	118.4023	0.420	6	116.6698	4.203	38	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:4:	3:	C[5]-3:C-3:H-1:	C-3:N-2:C-4:	C-3:	C(C[5]C[5]N[5])(CCN)(H)	C(CC[5]H)(NC[6a])(CClFF)	H(CC[5]C)	C(C[5]C[5]N[5])(CCN)(H)	C(CC[5]H)(NC[6a])(CClFF)	H(CC[5]C)	117.6590	0.000	1	117.6590	0.000	1	117.6590	0.000	1	115.7895	3.591	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:4:	3:	C[6a]-3:C-3:H-1:	C-3:O-2:C-4:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[5])(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(OC[5])(CCHH)	H(CC[6a]C)	113.1520	0.000	1	113.1520	0.000	1	113.1520	0.000	1	115.7895	3.591	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:4:	3:	C[6a]-3:C-3:H-1:	C-3:S-2:C-4:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(SC[5a])(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(SC[5a])(CCHH)	H(CC[6a]C)	116.0600	0.000	1	116.0600	0.000	1	116.1735	0.026	2	115.7895	3.591	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:2:4:	3:	C[6a]-3:C-3:H-1:	C-3:S-2:C-4:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(SC[6a])(CHHN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(SC[6a])(CHHN)	H(CC[6a]C)	116.2870	0.000	1	116.2870	0.000	1	116.1735	0.026	2	115.7895	3.591	4	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	B-3:C-3:H-1:	P-3:C-3:H-1:	C-3:	C(BC[6a]2)(CHP)(H)	C(PC[6a]2)(CBH)(H)	H(CBC)	C(BC[6a]2)(CHP)(H)	C(PC[6a]2)(CBH)(H)	H(CBC)	118.6220	0.000	1	118.6220	0.000	1	118.6220	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	B[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(B[5]O[5]2)(CCH)(H)	C(CB[5]H)(CCH)(H)	H(CB[5]C)	C(B[5]O[5]2)(CCH)(H)	C(CB[5]H)(CCH)(H)	H(CB[5]C)	116.0465	0.023	2	116.0465	0.001	2	116.0465	0.001	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	B[5]-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(B[5]O[5]2)(CN[5a]H)(H)	C(N[5a]C[5a,6a]2)(CB[5]H)(H)	H(CB[5]C)	C(B[5]O[5]2)(CN[5a]H)(H)	C(N[5a]C[5a,6a]2)(CB[5]H)(H)	H(CB[5]C)	118.2120	2.222	3	118.2120	4.939	3	118.2120	4.939	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	B[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(B[5a]O[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[5a]H)(H)	H(CB[5a]C)	C(B[5a]O[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[5a]H)(H)	H(CB[5a]C)	118.2870	0.960	2	118.2870	0.922	2	118.2870	0.922	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	B[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[6a]H)(H)	H(CB[6a]C)	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[6a]H)(H)	H(CB[6a]C)	116.8420	0.000	1	116.8420	0.000	1	116.5020	0.231	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	B[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(B[6a]N[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[6a]H)(H)	H(CB[6a]C)	C(B[6a]N[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[6a]H)(H)	H(CB[6a]C)	116.1620	0.000	1	116.1620	0.000	1	116.5020	0.231	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	B[5]-3:C-3:H-1:	C-3:	C(CB[5]H)(CCH)(H)	C(B[5]O[5]2)(CCH)(H)	H(CCC)	C(CB[5]H)(CCH)(H)	C(B[5]O[5]2)(CCH)(H)	H(CCC)	116.8265	0.114	2	116.8265	0.013	2	116.8265	0.013	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(CCH)(H)	C(CCH)(CCO)(Br)	H(CCC)	C(CBrC)(CCH)(H)	C(CCH)(CCO)(Br)	H(CCC)	115.1359	0.396	7	115.1359	0.157	7	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(CCH)(H)	C(CCH)2(Br)	H(CCC)	C(CBrC)(CCH)(H)	C(CCH)2(Br)	H(CCC)	115.6625	0.327	2	115.6625	0.107	2	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(CCH)(H)	C(CC[5]H)(CCH)(Br)	H(CCC)	C(CBrC)(CCH)(H)	C(CC[5]H)(CCH)(Br)	H(CCC)	116.4650	1.517	2	116.4650	2.303	2	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(CCH)(H)	C(CC[6a]H)(CCH)(Br)	H(CCC)	C(CBrC)(CCH)(H)	C(CC[6a]H)(CCH)(Br)	H(CCC)	116.4370	0.000	1	116.4370	0.000	1	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(CCH)(H)	C(CIrH)(CCH)(Br)	H(CCC)	C(CBrC)(CCH)(H)	C(CIrH)(CCH)(Br)	H(CCC)	117.3900	0.000	1	117.3900	0.000	1	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(CCO)(H)	C(CN[5]O)(CCH)(Br)	H(CCC)	C(CBrC)(CCO)(H)	C(CN[5]O)(CCH)(Br)	H(CCC)	117.1940	0.000	1	117.1940	0.000	1	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(CHH)(H)	C(CCH)(CHN)(Br)	H(CCC)	C(CBrC)(CHH)(H)	C(CCH)(CHN)(Br)	H(CCC)	117.5480	0.000	1	117.5480	0.000	1	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)(CNO)(H)	C(CC[6a]O)(CCH)(Br)	H(CCC)	C(CBrC)(CNO)(H)	C(CC[6a]O)(CCH)(Br)	H(CCC)	118.2660	0.000	1	118.2660	0.000	1	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)2(H)	C(CCH)(CCO)(Br)	H(CCC)	C(CBrC)2(H)	C(CCH)(CCO)(Br)	H(CCC)	115.8584	0.198	5	115.8584	0.039	5	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)2(H)	C(CCH)2(Br)	H(CCC)	C(CBrC)2(H)	C(CCH)2(Br)	H(CCC)	115.8662	0.214	5	115.8662	0.046	5	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)2(H)	C(CIrC)(CCH)(Br)	H(CCC)	C(CBrC)2(H)	C(CIrC)(CCH)(Br)	H(CCC)	116.0620	0.000	1	116.0620	0.000	1	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CBrC)2(H)	C(CIrH)(CCH)(Br)	H(CCC)	C(CBrC)2(H)	C(CIrH)(CCH)(Br)	H(CCC)	116.0170	0.000	1	116.0170	0.000	1	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CC[5]H)(CBrC)(H)	C(CCH)2(Br)	H(CCC)	C(CC[5]H)(CBrC)(H)	C(CCH)2(Br)	H(CCC)	116.9220	0.171	2	116.9220	0.029	2	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CC[6]C)(CBrC)(H)	C(CCH)(CCO)(Br)	H(CCC)	C(CC[6]C)(CBrC)(H)	C(CCH)(CCO)(Br)	H(CCC)	114.2950	0.000	1	114.2950	0.000	1	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CC[6a]C)(CBrC)(H)	C(CCH)(CHH)(Br)	H(CCC)	C(CC[6a]C)(CBrC)(H)	C(CCH)(CHH)(Br)	H(CCC)	116.9060	0.000	1	116.9060	0.000	1	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CC[6a]H)(CBrC)(H)	C(CCH)2(Br)	H(CCC)	C(CC[6a]H)(CBrC)(H)	C(CCH)2(Br)	H(CCC)	116.1590	0.451	2	116.1590	0.204	2	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CC[6a]H)(CBrC)(H)	C(CC[6a]H)(CCH)(Br)	H(CCC)	C(CC[6a]H)(CBrC)(H)	C(CC[6a]H)(CCH)(Br)	H(CCC)	115.9190	0.235	2	115.9190	0.055	2	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CN[5]O)(CBrC)(H)	C(CCH)(CCO)(Br)	H(CCC)	C(CN[5]O)(CBrC)(H)	C(CCH)(CCO)(Br)	H(CCC)	115.2570	0.000	1	115.2570	0.000	1	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CN[5]O)(CBrC)(H)	C(CCH)(COO)(Br)	H(CCC)	C(CN[5]O)(CBrC)(H)	C(CCH)(COO)(Br)	H(CCC)	115.8140	0.000	1	115.8140	0.000	1	116.0004	0.736	38	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(CBr2)(CClC)(H)	C(CSiC)(CCH)(Cl)	H(CCC)	C(CBr2)(CClC)(H)	C(CSiC)(CCH)(Cl)	H(CCC)	115.6460	0.000	1	115.6460	0.000	1	116.2440	2.261	14	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(CC[5]H)(CClC)(H)	C(CCH)2(Cl)	H(CCC)	C(CC[5]H)(CClC)(H)	C(CCH)2(Cl)	H(CCC)	116.1717	1.505	6	116.1717	2.266	6	116.2440	2.261	14	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(CClC)(CCH)(H)	C(CCH)(CCO)(Cl)	H(CCC)	C(CClC)(CCH)(H)	C(CCH)(CCO)(Cl)	H(CCC)	115.3305	0.078	2	115.3305	0.006	2	116.2440	2.261	14	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(CClC)(CCO)(H)	C(CClC)(CCH)(Cl)	H(CCC)	C(CClC)(CCO)(H)	C(CClC)(CCH)(Cl)	H(CCC)	114.8200	0.182	2	114.8200	0.033	2	116.2440	2.261	14	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(CClC)(CCP)(H)	C(COsH)(CCH)(Cl)	H(CCC)	C(CClC)(CCP)(H)	C(COsH)(CCH)(Cl)	H(CCC)	117.6630	0.000	1	117.6630	0.000	1	116.2440	2.261	14	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(CClC)(CNO)(H)	C(CCH)(COO)(Cl)	H(CCC)	C(CClC)(CNO)(H)	C(CCH)(COO)(Cl)	H(CCC)	117.7960	0.000	1	117.7960	0.000	1	116.2440	2.261	14	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(CClC)(COO)(H)	C(CCH)(COO)(Cl)	H(CCC)	C(CClC)(COO)(H)	C(CCH)(COO)(Cl)	H(CCC)	118.9800	0.000	1	118.9800	0.000	1	116.2440	2.261	14	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:F-1:	C-3:	C(CCF)(CCO)(H)	C(CCF)(CCH)(F)	H(CCC)	C(CCF)(CCO)(H)	C(CCF)(CCH)(F)	H(CCC)	116.4235	0.859	4	116.4235	0.737	4	116.4235	0.737	4	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CAlH)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CAlH)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	116.6420	0.000	1	116.6420	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CAlH)(CCH)(H)	C(CCH)(CHO)(H)	H(CCC)	C(CAlH)(CCH)(H)	C(CCH)(CHO)(H)	H(CCC)	117.2010	0.000	1	117.2010	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CAlSi)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CAlSi)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.2940	0.014	2	115.2940	0.000	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CB[5]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	C(CB[5]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	116.1760	0.000	1	116.1760	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CB[5]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CB[5]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	116.7940	0.253	2	116.7940	0.064	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CBiSi)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CBiSi)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.3520	0.093	2	115.3520	0.009	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CBrC)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CBrC)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	115.1820	0.543	2	115.1820	0.295	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CBrC)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CBrC)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	116.3780	0.000	1	116.3780	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CBrC)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CBrC)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.0462	0.271	5	115.0462	0.073	5	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CBrC)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	C(CBrC)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	117.5060	0.000	1	117.5060	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CBrC)(CCH)(H)	C(CC[5]O)(CCH)(H)	H(CCC)	C(CBrC)(CCH)(H)	C(CC[5]O)(CCH)(H)	H(CCC)	115.3350	0.000	1	115.3350	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CBrC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CBrC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	115.6410	0.324	2	115.6410	0.105	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CBrC)(CCH)(H)	C(CIrC)(CCH)(H)	H(CCC)	C(CBrC)(CCH)(H)	C(CIrC)(CCH)(H)	H(CCC)	117.3980	0.000	1	117.3980	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CBrS)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CBrS)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	117.1190	0.000	1	117.1190	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CBrC)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CBrC)(CCH)(H)	H(CCC)	114.9515	0.663	2	114.9515	0.439	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	116.5274	0.879	27	116.5274	0.773	27	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCH)(CCN)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)(CCN)(H)	H(CCC)	114.8900	0.000	1	114.8900	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	114.7765	0.842	11	114.7765	0.709	11	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	112.0695	1.399	2	112.0695	1.958	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCH)(CHO)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)(CHO)(H)	H(CCC)	117.1760	0.000	1	117.1760	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	115.8500	0.000	1	115.8500	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	116.6887	0.258	3	116.6887	0.067	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.8388	1.273	81	116.8388	1.620	81	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CC[5]C)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CC[5]C)(CCH)(H)	H(CCC)	114.7120	0.000	1	114.7120	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	115.0066	1.145	10	115.0066	1.312	10	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CC[5]O)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CC[5]O)(CCH)(H)	H(CCC)	117.6360	0.000	1	117.6360	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CC[5x3,5x5,20x6]O)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CC[5x3,5x5,20x6]O)(CCH)(H)	H(CCC)	115.4310	0.000	1	115.4310	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CC[6]C)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6]C)(CCH)(H)	H(CCC)	116.2910	0.000	1	116.2910	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	117.8600	0.000	1	117.8600	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	115.9390	1.718	3	115.9390	2.952	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	116.4354	0.471	9	116.4354	0.222	9	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CClC)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CClC)(CCH)(H)	H(CCC)	116.9495	0.050	2	116.9495	0.003	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	118.7615	0.090	2	118.7615	0.008	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CN[6]C)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CN[6]C)(CCH)(H)	H(CCC)	113.8190	0.051	2	113.8190	0.003	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CRuC)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CRuC)(CCH)(H)	H(CCC)	115.7580	0.000	1	115.7580	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCI)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCH)(CCI)(H)	C(CCH)(CCO)(H)	H(CCC)	115.5935	0.084	2	115.5935	0.007	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCI)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CCI)(H)	C(CCH)2(H)	H(CCC)	115.1270	0.000	1	115.1270	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCN)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCH)(CCN)(H)	C(CCC)(CCH)(H)	H(CCC)	114.5570	0.000	1	114.5570	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CCN)(H)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CCN)(H)	H(CCC)	117.7355	2.458	4	117.7355	6.041	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CCO)(H)	H(CCC)	115.6145	0.678	10	115.6145	0.459	10	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CHN)(H)	H(CCC)	117.0890	2.251	2	117.0890	5.069	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CHO)(H)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CHO)(H)	H(CCC)	117.5550	0.000	1	117.5550	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCN)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)2(H)	H(CCC)	114.0077	1.099	109	114.0077	1.208	109	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCN)(H)	C(CC[5]C)(CCH)(H)	H(CCC)	C(CCH)(CCN)(H)	C(CC[5]C)(CCH)(H)	H(CCC)	113.8282	0.286	4	113.8282	0.082	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCN)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CCH)(CCN)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	113.8610	0.010	2	113.8610	0.000	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCN)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CCH)(CCN)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	116.6925	0.165	2	116.6925	0.027	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCN)(H)	C(CIrC)(CCH)(H)	H(CCC)	C(CCH)(CCN)(H)	C(CIrC)(CCH)(H)	H(CCC)	117.2622	0.249	4	117.2622	0.062	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CAlH)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CAlH)(CCH)(H)	H(CCC)	116.4230	0.000	1	116.4230	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	H(CCC)	114.8011	0.714	11	114.8011	0.510	11	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCI)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCI)(H)	H(CCC)	114.5300	0.348	2	114.5300	0.121	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCN)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCN)(H)	H(CCC)	114.9372	1.088	10	114.9372	1.183	10	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	H(CCC)	115.1479	1.530	20	115.1479	2.342	20	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CHH)(H)	H(CCC)	116.9950	0.007	2	116.9950	0.000	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CHN)(H)	H(CCC)	117.5468	0.503	8	117.5468	0.253	8	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCH)(COO)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(COO)(H)	H(CCC)	119.6650	0.000	1	119.6650	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)2(H)	H(CCC)	115.2822	1.894	99	115.2822	3.588	99	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CC[5,6]O)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CC[5,6]O)(CCH)(H)	H(CCC)	116.7680	0.000	1	116.7680	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	H(CCC)	113.8895	0.451	8	113.8895	0.204	8	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CC[5x3,5x5,20x6]H)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CC[5x3,5x5,20x6]H)(CCH)(H)	H(CCC)	116.8240	0.000	1	116.8240	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	119.4230	0.000	1	119.4230	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	114.3025	0.542	6	114.3025	0.294	6	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	115.5530	0.000	1	115.5530	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CN[5]H)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CN[5]H)(CCH)(H)	H(CCC)	117.5410	0.475	2	117.5410	0.226	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CN[6]C)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CN[6]C)(CCH)(H)	H(CCC)	115.5240	0.177	2	115.5240	0.031	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CN[6]H)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CN[6]H)(CCH)(H)	H(CCC)	117.2130	0.000	1	117.2130	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCP)(H)	C(COsH)(CCH)(H)	H(CCC)	C(CCH)(CCP)(H)	C(COsH)(CCH)(H)	H(CCC)	118.2640	0.081	2	118.2640	0.006	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCS)(H)	C(CCH)(CCS)(H)	H(CCC)	C(CCH)(CCS)(H)	C(CCH)(CCS)(H)	H(CCC)	119.9140	0.000	1	119.9140	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCS)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CCH)(CCS)(H)	C(CCH)(CHN)(H)	H(CCC)	114.3320	0.000	1	114.3320	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCS)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CCS)(H)	C(CCH)2(H)	H(CCC)	115.3616	0.875	7	115.3616	0.765	7	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCS)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CCH)(CCS)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	115.6370	0.000	1	115.6370	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCS)(H)	C(CCoC)(CCH)(H)	H(CCC)	C(CCH)(CCS)(H)	C(CCoC)(CCH)(H)	H(CCC)	116.3130	0.000	1	116.3130	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCS)(H)	C(CNiC)(CCH)(H)	H(CCC)	C(CCH)(CCS)(H)	C(CNiC)(CCH)(H)	H(CCC)	117.8685	0.139	2	117.8685	0.019	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCS)(H)	C(CPtH)(CCH)(H)	H(CCC)	C(CCH)(CCS)(H)	C(CPtH)(CCH)(H)	H(CCC)	116.4330	0.229	2	116.4330	0.052	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CCS)(H)	C(CRuH)(CCH)(H)	H(CCC)	C(CCH)(CCS)(H)	C(CRuH)(CCH)(H)	H(CCC)	116.0630	0.000	1	116.0630	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CFP)(H)	C(CCH)(CFP)(H)	H(CCC)	C(CCH)(CFP)(H)	C(CCH)(CFP)(H)	H(CCC)	118.7220	0.000	1	118.7220	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CCC)(CCH)(H)	H(CCC)	119.0885	0.100	2	119.0885	0.010	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CCH)(CCO)(H)	H(CCC)	117.7405	0.112	2	117.7405	0.013	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CCH)(CHN)(H)	H(CCC)	117.8110	0.000	1	117.8110	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CCH)(CHS)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CCH)(CHS)(H)	H(CCC)	113.7490	7.007	2	113.7490	49.104	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CHH)(H)	C(CCH)2(H)	H(CCC)	119.4472	1.977	5	119.4472	3.910	5	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CC[5,5,6]H)(CCH)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CC[5,5,6]H)(CCH)(H)	H(CCC)	117.5250	0.000	1	117.5250	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	117.6538	0.492	6	117.6538	0.242	6	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CC[6a]2)(CCH)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CC[6a]2)(CCH)(H)	H(CCC)	118.3200	0.000	1	118.3200	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	118.3273	0.583	3	118.3273	0.340	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	118.5992	0.155	4	118.5992	0.024	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CN[5]H)(CCH)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CN[5]H)(CCH)(H)	H(CCC)	116.2930	0.000	1	116.2930	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	118.1735	0.354	2	118.1735	0.126	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHI)(H)	C(CCH)(CHI)(H)	H(CCC)	C(CCH)(CHI)(H)	C(CCH)(CHI)(H)	H(CCC)	117.5932	2.052	4	117.5932	4.209	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(CCN)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(CCN)(H)	H(CCC)	118.1410	1.858	2	118.1410	3.453	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(CCO)(H)	H(CCC)	120.0977	0.546	8	120.0977	0.298	8	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(CCS)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(CCS)(H)	H(CCC)	121.1480	0.000	1	121.1480	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(CHH)(H)	H(CCC)	117.2890	0.000	1	117.2890	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(CHN)(H)	H(CCC)	118.5080	1.068	2	118.5080	1.140	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)2(H)	H(CCC)	120.4125	4.842	2	120.4125	23.441	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	116.0840	0.000	1	116.0840	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	119.7330	0.000	1	119.7330	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	115.6510	0.000	1	115.6510	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHO)(H)	C(CAlH)(CCH)(H)	H(CCC)	C(CCH)(CHO)(H)	C(CAlH)(CCH)(H)	H(CCC)	117.1940	0.000	1	117.1940	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHO)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCH)(CHO)(H)	C(CCC)(CCH)(H)	H(CCC)	119.9580	0.000	1	119.9580	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHO)(H)	C(CCH)(CCN)(H)	H(CCC)	C(CCH)(CHO)(H)	C(CCH)(CCN)(H)	H(CCC)	123.4740	0.000	1	123.4740	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHO)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CHO)(H)	C(CCH)2(H)	H(CCC)	119.3571	2.318	7	119.3571	5.374	7	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHO)(H)	C(CC[6,6]H)(CCH)(H)	H(CCC)	C(CCH)(CHO)(H)	C(CC[6,6]H)(CCH)(H)	H(CCC)	114.4200	0.000	1	114.4200	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHO)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CCH)(CHO)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	113.6560	0.000	1	113.6560	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHO)(H)	C(CMoH)(CCH)(H)	H(CCC)	C(CCH)(CHO)(H)	C(CMoH)(CCH)(H)	H(CCC)	117.7700	0.000	1	117.7700	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHS)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CCH)(CHS)(H)	C(CCH)(CHH)(H)	H(CCC)	117.4510	1.047	2	117.4510	1.095	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHS)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CHS)(H)	C(CCH)2(H)	H(CCC)	118.8915	0.432	4	118.8915	0.186	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHS)(H)	C(CPtC)(CCH)(H)	H(CCC)	C(CCH)(CHS)(H)	C(CPtC)(CCH)(H)	H(CCC)	116.7910	0.000	1	116.7910	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CHS)(H)	C(CPtO)(CCH)(H)	H(CCC)	C(CCH)(CHS)(H)	C(CPtO)(CCH)(H)	H(CCC)	116.4600	0.000	1	116.4600	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CNN)(H)	C(CCH)(CNN)(H)	H(CCC)	C(CCH)(CNN)(H)	C(CCH)(CNN)(H)	H(CCC)	120.1700	10.447	2	120.1700	109.136	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCH)(CNO)(H)	C(CCC)(CCH)(H)	H(CCC)	120.1030	0.000	1	120.1030	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CCH)(CNO)(H)	H(CCC)	C(CCH)(CNO)(H)	C(CCH)(CNO)(H)	H(CCC)	116.6401	3.049	17	116.6401	9.296	17	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CCH)(COO)(H)	H(CCC)	C(CCH)(CNO)(H)	C(CCH)(COO)(H)	H(CCC)	116.1375	0.974	48	116.1375	0.948	48	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(CNO)(H)	C(CCH)2(H)	H(CCC)	118.4502	0.421	5	118.4502	0.177	5	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CBrC)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CBrC)(CCH)(H)	H(CCC)	119.0430	0.000	1	119.0430	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CCC)(CCH)(H)	H(CCC)	119.3913	0.083	3	119.3913	0.007	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(CCO)(H)	H(CCC)	119.5200	0.000	1	119.5200	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(CNO)(H)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(CNO)(H)	H(CCC)	114.7440	1.731	48	114.7440	2.997	48	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	H(CCC)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	H(CCC)	116.8899	2.102	742	116.8899	4.419	742	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CCH)2(H)	H(CCC)	C(CCH)(COO)(H)	C(CCH)2(H)	H(CCC)	118.4766	1.974	90	118.4766	3.895	90	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	123.4410	0.000	1	123.4410	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	119.5755	0.182	2	119.5755	0.033	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[6a]C[5])(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[6a]C[5])(CCH)(H)	H(CCC)	117.5350	0.000	1	117.5350	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[6a]C[6])(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[6a]C[6])(CCH)(H)	H(CCC)	119.9390	0.000	1	119.9390	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	115.6753	2.414	4	115.6753	5.826	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CAlSi)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CAlSi)(CCH)(H)	H(CCC)	116.5820	0.024	2	116.5820	0.001	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CBiSi)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CBiSi)(CCH)(H)	H(CCC)	115.5200	0.011	2	115.5200	0.000	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CBrC)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CBrC)(CCH)(H)	H(CCC)	116.0152	0.110	5	116.0152	0.012	5	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CCC)(CCH)(H)	H(CCC)	116.9480	2.841	78	116.9480	8.071	78	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CCI)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CCI)(H)	H(CCC)	116.0130	0.000	1	116.0130	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CCN)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CCN)(H)	H(CCC)	114.9056	1.020	109	114.9056	1.040	109	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CCO)(H)	H(CCC)	115.2674	1.115	100	115.2674	1.243	100	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CCS)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CCS)(H)	H(CCC)	115.4797	0.532	7	115.4797	0.283	7	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CHH)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CHH)(H)	H(CCC)	119.1008	3.831	5	119.1008	14.674	5	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CHN)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CHN)(H)	H(CCC)	116.7055	2.635	2	116.7055	6.945	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CHO)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CHO)(H)	H(CCC)	116.7811	4.015	7	116.7811	16.121	7	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CHS)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CHS)(H)	H(CCC)	117.4155	0.238	4	117.4155	0.057	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCH)(CNO)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(CNO)(H)	H(CCC)	117.5038	0.522	5	117.5038	0.273	5	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCH)(COO)(H)	H(CCC)	C(CCH)2(H)	C(CCH)(COO)(H)	H(CCC)	117.8371	1.362	91	117.8371	1.856	91	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCH)2(H)	H(CCC)	C(CCH)2(H)	C(CCH)2(H)	H(CCC)	116.0824	2.553	950	116.0824	6.519	950	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[3]H)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[3]H)(CCH)(H)	H(CCC)	115.7535	0.291	2	115.7535	0.084	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[4]C)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[4]C)(CCH)(H)	H(CCC)	115.8585	0.238	2	115.8585	0.057	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[4]H)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[4]H)(CCH)(H)	H(CCC)	116.1354	1.377	8	116.1354	1.895	8	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	H(CCC)	116.0687	1.529	9	116.0687	2.339	9	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	H(CCC)	116.2867	1.114	357	116.2867	1.242	357	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[5]O)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[5]O)(CCH)(H)	H(CCC)	115.5307	1.597	6	115.5307	2.551	6	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[5a]C)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[5a]C)(CCH)(H)	H(CCC)	121.0040	0.000	1	121.0040	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[5a]C[6a])(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[5a]C[6a])(CCH)(H)	H(CCC)	120.1010	0.216	2	120.1010	0.047	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	H(CCC)	116.7241	0.930	49	116.7241	0.866	49	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[5a]O)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[5a]O)(CCH)(H)	H(CCC)	116.6520	2.162	3	116.6520	4.675	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6]C)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6]C)(CCH)(H)	H(CCC)	115.3920	0.628	5	115.3920	0.394	5	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	H(CCC)	117.3240	0.840	21	117.3240	0.706	21	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6a]2)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6a]2)(CCH)(H)	H(CCC)	117.0953	0.594	3	117.0953	0.353	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6a]Br)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6a]Br)(CCH)(H)	H(CCC)	117.1765	0.136	2	117.1765	0.019	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	117.9660	1.084	5	117.9660	1.175	5	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6a]C[5])(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6a]C[5])(CCH)(H)	H(CCC)	115.4253	0.093	4	115.4253	0.009	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	117.4374	0.929	92	117.4374	0.862	92	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	116.5720	3.083	2	116.5720	9.505	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	118.2828	1.130	11	118.2828	1.277	11	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6a]S)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6a]S)(CCH)(H)	H(CCC)	117.7440	0.000	1	117.7440	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CClC)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CClC)(CCH)(H)	H(CCC)	115.9830	0.058	2	115.9830	0.003	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CClH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CClH)(CCH)(H)	H(CCC)	119.4370	0.000	1	119.4370	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CIrC)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CIrC)(CCH)(H)	H(CCC)	116.7860	0.135	3	116.7860	0.018	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CIrH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CIrH)(CCH)(H)	H(CCC)	116.7355	0.248	4	116.7355	0.062	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CIrS)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CIrS)(CCH)(H)	H(CCC)	116.3590	0.000	1	116.3590	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CN[5]C)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CN[5]C)(CCH)(H)	H(CCC)	115.7396	0.455	9	115.7396	0.207	9	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CN[5]H)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CN[5]H)(CCH)(H)	H(CCC)	116.7540	0.000	1	116.7540	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CN[5]O)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CN[5]O)(CCH)(H)	H(CCC)	118.3110	0.000	1	118.3110	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CN[5]Se)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CN[5]Se)(CCH)(H)	H(CCC)	117.3155	0.008	2	117.3155	0.000	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CN[6]C)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CN[6]C)(CCH)(H)	H(CCC)	115.1961	1.382	11	115.1961	1.909	11	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CN[6]O)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CN[6]O)(CCH)(H)	H(CCC)	117.8160	0.558	7	117.8160	0.312	7	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(COsH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(COsH)(CCH)(H)	H(CCC)	116.1453	0.410	3	116.1453	0.168	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(COsS)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(COsS)(CCH)(H)	H(CCC)	116.1677	0.328	3	116.1677	0.108	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CPdC)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CPdC)(CCH)(H)	H(CCC)	115.1760	0.682	7	115.1760	0.465	7	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CRuH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CRuH)(CCH)(H)	H(CCC)	117.6360	0.000	1	117.6360	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CSnH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CSnH)(CCH)(H)	H(CCC)	117.2080	0.143	2	117.2080	0.020	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)2(H)	C(CTiC)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CTiC)(CCH)(H)	H(CCC)	112.3750	0.000	1	112.3750	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[3]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[3]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.2345	0.052	2	115.2345	0.003	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[4]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[4]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.6585	0.340	2	116.6585	0.116	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[4]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[4]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.8316	1.064	10	115.8316	1.131	10	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5,5,6]H)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CC[5,5,6]H)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	117.8270	0.000	1	117.8270	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5,6]H)(CCH)(H)	C(CC[5]C)(CCH)(H)	H(CCC)	C(CC[5,6]H)(CCH)(H)	C(CC[5]C)(CCH)(H)	H(CCC)	112.2760	0.000	1	112.2760	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5,6]H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	H(CCC)	C(CC[5,6]H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	H(CCC)	115.3770	0.146	2	115.3770	0.021	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5,6]O)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CC[5,6]O)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	119.9830	0.000	1	119.9830	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]C)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CC[5]C)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	114.0700	0.000	1	114.0700	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]C)(CCH)(H)	C(CCH)(CCN)(H)	H(CCC)	C(CC[5]C)(CCH)(H)	C(CCH)(CCN)(H)	H(CCC)	114.3738	0.511	4	114.3738	0.262	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]C)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CC[5]C)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	114.3865	0.382	8	114.3865	0.146	8	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[5]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.7879	1.655	9	115.7879	2.740	9	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]C)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	H(CCC)	C(CC[5]C)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	H(CCC)	113.6920	0.000	1	113.6920	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]C)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CC[5]C)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	116.1875	0.684	2	116.1875	0.468	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]Co)(CCH)(H)	C(CC[5]S)(CCH)(H)	H(CCC)	C(CC[5]Co)(CCH)(H)	C(CC[5]S)(CCH)(H)	H(CCC)	114.6660	0.000	1	114.6660	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(CBrC)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(CBrC)(CCH)(H)	H(CCC)	116.6090	0.000	1	116.6090	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	115.2475	0.968	10	115.2475	0.937	10	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	117.5462	0.294	6	117.5462	0.086	6	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	116.4880	0.000	1	116.4880	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	119.6000	0.000	1	119.6000	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.7074	1.209	364	115.7074	1.463	364	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	114.7625	2.341	10	114.7625	5.479	10	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	117.2345	2.501	2	117.2345	6.255	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	116.1093	0.836	3	116.1093	0.698	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	117.7965	1.104	2	117.7965	1.218	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]O)(CCH)(H)	C(CBrC)(CCH)(H)	H(CCC)	C(CC[5]O)(CCH)(H)	C(CBrC)(CCH)(H)	H(CCC)	114.8150	0.000	1	114.8150	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]O)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CC[5]O)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	120.2810	0.000	1	120.2810	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]O)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[5]O)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.5932	1.914	6	116.5932	3.663	6	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]O)(CCH)(H)	C(CC[5]O)(CCH)(H)	H(CCC)	C(CC[5]O)(CCH)(H)	C(CC[5]O)(CCH)(H)	H(CCC)	116.5850	0.000	1	116.5850	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]S)(CCH)(H)	C(CC[5]Co)(CCH)(H)	H(CCC)	C(CC[5]S)(CCH)(H)	C(CC[5]Co)(CCH)(H)	H(CCC)	114.7270	0.000	1	114.7270	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5a]2)(CCH)(H)	C(CC[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]2)(CCH)(H)	C(CC[5a]2)(CCH)(H)	H(CCC)	119.2409	1.372	7	119.2409	1.882	7	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5a]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[5a]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	119.6830	0.000	1	119.6830	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5a]C[6a])(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[5a]C[6a])(CCH)(H)	C(CCH)2(H)	H(CCC)	116.1585	1.146	2	116.1585	1.314	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[5a]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.3465	0.867	48	115.3465	0.752	48	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CCC)	C(CC[5a]H)(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CCC)	113.9670	0.000	1	113.9670	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CC[5a]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	118.1890	1.366	3	118.1890	1.865	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCH)(H)	C(CN[5a]H)(CCH)(H)	H(CCC)	C(CC[5a]H)(CCH)(H)	C(CN[5a]H)(CCH)(H)	H(CCC)	115.9940	0.218	2	115.9940	0.047	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5a]O)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[5a]O)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.5620	2.430	3	117.5620	5.904	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5x3,5x5,20x6]H)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CC[5x3,5x5,20x6]H)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	113.8340	0.000	1	113.8340	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5x3,5x5,20x6]O)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CC[5x3,5x5,20x6]O)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	114.1930	0.000	1	114.1930	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6,6]H)(CCH)(H)	C(CCH)(CHO)(H)	H(CCC)	C(CC[6,6]H)(CCH)(H)	C(CCH)(CHO)(H)	H(CCC)	116.2040	0.000	1	116.2040	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6,6]H)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	H(CCC)	C(CC[6,6]H)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	H(CCC)	115.1995	0.216	2	115.1995	0.047	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6,6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	C(CC[6,6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	107.3460	0.000	1	107.3460	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]C)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CC[6]C)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	114.8000	0.000	1	114.8000	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	114.8134	0.752	5	114.8134	0.566	5	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	C(CC[6]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	114.4213	0.102	3	114.4213	0.010	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(CB[5]C)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(CB[5]C)(CCH)(H)	H(CCC)	119.0290	0.000	1	119.0290	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	117.5300	0.000	1	117.5300	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	117.5800	0.000	1	117.5800	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	117.8810	0.000	1	117.8810	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.0137	1.028	22	117.0137	1.057	22	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	116.1285	1.259	2	116.1285	1.586	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	H(CCC)	115.6200	0.000	1	115.6200	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(CC[6]C)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(CC[6]C)(CCH)(H)	H(CCC)	114.8827	0.211	3	114.8827	0.044	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	115.2201	1.776	12	115.2201	3.154	12	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	117.8721	1.065	11	117.8721	1.133	11	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]2)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CC[6a]2)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	116.9430	0.000	1	116.9430	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]2)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6a]2)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.0080	1.047	3	117.0080	1.096	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]2)(CCH)(H)	C(CC[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]2)(CCH)(H)	C(CC[6a]2)(CCH)(H)	H(CCC)	117.5947	1.791	12	117.5947	3.207	12	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]2)(CCH)(H)	C(CC[6a]C[6])(CCH)(H)	H(CCC)	C(CC[6a]2)(CCH)(H)	C(CC[6a]C[6])(CCH)(H)	H(CCC)	117.5990	0.000	1	117.5990	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CC[6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	116.8233	0.476	3	116.8233	0.227	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]Br)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6a]Br)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.3825	0.269	2	117.3825	0.073	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]Br)(CCH)(H)	C(CC[6a]Br)(CCH)(H)	H(CCC)	C(CC[6a]Br)(CCH)(H)	C(CC[6a]Br)(CCH)(H)	H(CCC)	116.5630	0.170	2	116.5630	0.029	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	116.6943	1.224	3	116.6943	1.499	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CCH)(CCN)(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CCH)(CCN)(H)	H(CCC)	114.6165	0.132	2	114.6165	0.017	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	114.0812	0.554	6	114.0812	0.307	6	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	115.3650	2.250	3	115.3650	5.061	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	117.2165	0.535	2	117.2165	0.287	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.2568	1.022	5	116.2568	1.044	5	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	116.0613	1.166	3	116.0613	1.359	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	116.8121	1.422	9	116.8121	2.023	9	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	116.4415	0.658	2	116.4415	0.433	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CPtH)(CCH)(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CPtH)(CCH)(H)	H(CCC)	117.3570	0.000	1	117.3570	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C[5])(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[6a]C[5])(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	118.0340	0.000	1	118.0340	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C[5])(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6a]C[5])(CCH)(H)	C(CCH)2(H)	H(CCC)	114.4435	0.085	4	114.4435	0.007	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C[6])(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[6a]C[6])(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	116.8620	0.000	1	116.8620	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]C[6])(CCH)(H)	C(CC[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]C[6])(CCH)(H)	C(CC[6a]2)(CCH)(H)	H(CCC)	116.3670	0.000	1	116.3670	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]Cl)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CC[6a]Cl)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	115.7095	0.238	2	115.7095	0.057	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]Co)(CCH)(H)	C(CC[6a]S)(CCH)(H)	H(CCC)	C(CC[6a]Co)(CCH)(H)	C(CC[6a]S)(CCH)(H)	H(CCC)	114.7440	0.078	2	114.7440	0.006	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CB[5]H)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CB[5]H)(CCH)(H)	H(CCC)	119.3215	0.483	2	119.3215	0.233	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CBrC)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CBrC)(CCH)(H)	H(CCC)	119.5120	0.602	2	119.5120	0.363	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CBrS)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CBrS)(CCH)(H)	H(CCC)	119.2400	0.000	1	119.2400	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	119.3913	0.455	9	119.3913	0.207	9	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CCH)(CCN)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CCH)(CCN)(H)	H(CCC)	119.4095	0.094	2	119.4095	0.009	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	118.8730	0.000	1	118.8730	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	116.0155	0.253	4	116.0155	0.064	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	117.5900	0.000	1	117.5900	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	118.1184	1.037	92	118.1184	1.076	92	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CC[5]C)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CC[5]C)(CCH)(H)	H(CCC)	118.4420	0.160	2	118.4420	0.026	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	118.9100	0.880	2	118.9100	0.774	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CCC)	117.9527	1.162	3	117.9527	1.351	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CCC)	117.9864	1.645	11	117.9864	2.707	11	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CC[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CC[6a]2)(CCH)(H)	H(CCC)	117.1270	0.730	3	117.1270	0.533	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	118.9785	0.431	2	118.9785	0.185	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CC[6a]Cl)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CC[6a]Cl)(CCH)(H)	H(CCC)	119.4065	0.554	2	119.4065	0.307	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	116.8233	2.514	14	116.8233	6.323	14	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CClO)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CClO)(CCH)(H)	H(CCC)	118.7960	0.000	1	118.7960	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(CN[5]C)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(CN[5]C)(CCH)(H)	H(CCC)	119.2730	0.000	1	119.2730	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]Mo)(CCH)(H)	C(CC[6a]Mo)(CCH)(H)	H(CCC)	C(CC[6a]Mo)(CCH)(H)	C(CC[6a]Mo)(CCH)(H)	H(CCC)	121.2812	0.164	4	121.2812	0.027	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]N)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.1905	0.489	2	116.1905	0.239	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]N)(CCH)(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	116.4683	0.951	3	116.4683	0.904	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]N)(CCH)(H)	C(CC[6a]N[6])(CCH)(H)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(CC[6a]N[6])(CCH)(H)	H(CCC)	117.9850	0.000	1	117.9850	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]N)(CCH)(H)	C(CC[6a]P)(CCH)(H)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(CC[6a]P)(CCH)(H)	H(CCC)	117.9540	0.759	4	117.9540	0.576	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]N[6])(CCH)(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	C(CC[6a]N[6])(CCH)(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	117.7380	0.000	1	117.7380	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	115.9260	0.000	1	115.9260	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CCH)(CHO)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CCH)(CHO)(H)	H(CCC)	116.6030	0.000	1	116.6030	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CCH)2(H)	H(CCC)	118.8994	1.108	11	118.8994	1.228	11	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	118.8890	0.098	2	118.8890	0.010	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CC[6a]Rh)(CCH)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CC[6a]Rh)(CCH)(H)	H(CCC)	115.9925	0.647	2	115.9925	0.419	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]P)(CCH)(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	C(CC[6a]P)(CCH)(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	115.3423	2.108	4	115.3423	4.443	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]Rh)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CC[6a]Rh)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	115.7590	0.683	2	115.7590	0.467	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]S)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6a]S)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.5960	0.000	1	116.5960	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]S)(CCH)(H)	C(CC[6a]Co)(CCH)(H)	H(CCC)	C(CC[6a]S)(CCH)(H)	C(CC[6a]Co)(CCH)(H)	H(CCC)	114.2375	0.161	2	114.2375	0.026	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]S)(CCH)(H)	C(CC[6a]S)(CCH)(H)	H(CCC)	C(CC[6a]S)(CCH)(H)	C(CC[6a]S)(CCH)(H)	H(CCC)	116.7000	0.000	1	116.7000	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]S)(CCH)(H)	C(CPtH)(CCH)(H)	H(CCC)	C(CC[6a]S)(CCH)(H)	C(CPtH)(CCH)(H)	H(CCC)	115.6960	0.000	1	115.6960	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]Sn)(CCH)(H)	C(CC[6a]Sn)(CCH)(H)	H(CCC)	C(CC[6a]Sn)(CCH)(H)	C(CC[6a]Sn)(CCH)(H)	H(CCC)	116.6905	1.015	2	116.6905	1.030	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]Te)(CCH)(H)	C(CC[6a]Te)(CCH)(H)	H(CCC)	C(CC[6a]Te)(CCH)(H)	C(CC[6a]Te)(CCH)(H)	H(CCC)	119.8565	0.179	4	119.8565	0.032	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]Te)(CCH)(H)	C(CTeH)(CCH)(H)	H(CCC)	C(CC[6a]Te)(CCH)(H)	C(CTeH)(CCH)(H)	H(CCC)	120.0960	0.270	2	120.0960	0.073	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CClC)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CClC)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	118.4705	0.080	2	118.4705	0.006	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CClC)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CClC)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.4450	0.146	2	115.4450	0.021	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CClC)(CCH)(H)	C(CClC)(CCH)(H)	H(CCC)	C(CClC)(CCH)(H)	C(CClC)(CCH)(H)	H(CCC)	116.8350	0.000	1	116.8350	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CClH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CClH)(CCH)(H)	C(CCH)2(H)	H(CCC)	119.0570	0.000	1	119.0570	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CClO)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CClO)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	117.1160	0.000	1	117.1160	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCoC)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	C(CCoC)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	115.6940	0.000	1	115.6940	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CIrC)(CCH)(H)	C(CBrC)(CCH)(H)	H(CCC)	C(CIrC)(CCH)(H)	C(CBrC)(CCH)(H)	H(CCC)	117.6450	0.000	1	117.6450	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CIrC)(CCH)(H)	C(CCH)(CCN)(H)	H(CCC)	C(CIrC)(CCH)(H)	C(CCH)(CCN)(H)	H(CCC)	117.7275	0.159	4	117.7275	0.025	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CIrC)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CIrC)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.4813	0.443	3	117.4813	0.196	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CIrC)(CCH)(H)	C(CIrC)(CCH)(H)	H(CCC)	C(CIrC)(CCH)(H)	C(CIrC)(CCH)(H)	H(CCC)	121.0897	1.509	4	121.0897	2.277	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CIrH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CIrH)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.6842	0.144	4	116.6842	0.021	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CIrS)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CIrS)(CCH)(H)	C(CCH)2(H)	H(CCC)	120.1450	0.000	1	120.1450	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CMoH)(CCH)(H)	C(CCH)(CHO)(H)	H(CCC)	C(CMoH)(CCH)(H)	C(CCH)(CHO)(H)	H(CCC)	116.6960	0.000	1	116.6960	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CN[5]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.9383	0.760	9	115.9383	0.578	9	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]C)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	C(CN[5]C)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CCC)	116.8480	0.000	1	116.8480	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]H)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CN[5]H)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	120.2895	0.305	2	120.2895	0.093	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]H)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CN[5]H)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	115.4290	0.000	1	115.4290	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CN[5]H)(CCH)(H)	C(CCH)2(H)	H(CCC)	119.8770	0.000	1	119.8770	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]O)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CN[5]O)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	120.1050	0.018	2	120.1050	0.000	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]O)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CN[5]O)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	117.8555	1.108	2	117.8555	1.228	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]O)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CN[5]O)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	116.0990	0.693	4	116.0990	0.480	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]O)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CN[5]O)(CCH)(H)	C(CCH)2(H)	H(CCC)	118.9450	0.000	1	118.9450	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]O)(CCH)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	C(CN[5]O)(CCH)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	120.4177	0.451	4	120.4177	0.203	4	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]Se)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CN[5]Se)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.1195	1.016	2	116.1195	1.032	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5a]H)(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CCC)	C(CN[5a]H)(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CCC)	119.3900	0.148	2	119.3900	0.022	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[6]C)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CN[6]C)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	114.5985	0.086	2	114.5985	0.007	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[6]C)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CN[6]C)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	113.2325	0.462	2	113.2325	0.213	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[6]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CN[6]C)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.7992	1.261	11	115.7992	1.590	11	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[6]H)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CN[6]H)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	120.9240	0.000	1	120.9240	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[6]O)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CN[6]O)(CCH)(H)	C(CCH)2(H)	H(CCC)	119.5350	0.212	7	119.5350	0.045	7	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CNiC)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	C(CNiC)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	116.0435	0.296	2	116.0435	0.088	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(COsC)(CCH)(H)	C(COsC)(CCH)(H)	H(CCC)	C(COsC)(CCH)(H)	C(COsC)(CCH)(H)	H(CCC)	121.9472	0.796	8	121.9472	0.633	8	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(COsH)(CCH)(H)	C(CCH)(CCP)(H)	H(CCC)	C(COsH)(CCH)(H)	C(CCH)(CCP)(H)	H(CCC)	117.5635	0.607	2	117.5635	0.369	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(COsH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(COsH)(CCH)(H)	C(CCH)2(H)	H(CCC)	118.0573	0.316	3	118.0573	0.100	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(COsS)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(COsS)(CCH)(H)	C(CCH)2(H)	H(CCC)	118.1850	0.243	3	118.1850	0.059	3	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CPdC)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CPdC)(CCH)(H)	C(CCH)2(H)	H(CCC)	114.7037	0.311	7	114.7037	0.097	7	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CPtC)(CCH)(H)	C(CCH)(CHS)(H)	H(CCC)	C(CPtC)(CCH)(H)	C(CCH)(CHS)(H)	H(CCC)	114.4600	0.000	1	114.4600	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CPtH)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	C(CPtH)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	115.7275	0.336	2	115.7275	0.113	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CPtH)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CPtH)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	117.7560	0.000	1	117.7560	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CPtH)(CCH)(H)	C(CC[6a]S)(CCH)(H)	H(CCC)	C(CPtH)(CCH)(H)	C(CC[6a]S)(CCH)(H)	H(CCC)	114.7290	0.000	1	114.7290	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CPtO)(CCH)(H)	C(CCH)(CHS)(H)	H(CCC)	C(CPtO)(CCH)(H)	C(CCH)(CHS)(H)	H(CCC)	114.7200	0.000	1	114.7200	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CRuC)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CRuC)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	116.1110	0.000	1	116.1110	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CRuH)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	C(CRuH)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	115.0160	0.000	1	115.0160	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CRuH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CRuH)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.3020	0.000	1	117.3020	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CSiI)(CCH)(H)	C(CSiI)(CCH)(H)	H(CCC)	C(CSiI)(CCH)(H)	C(CSiI)(CCH)(H)	H(CCC)	115.8545	0.162	2	115.8545	0.026	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CSnH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CSnH)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.3150	0.124	2	117.3150	0.015	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CTeH)(CCH)(H)	C(CC[6a]Te)(CCH)(H)	H(CCC)	C(CTeH)(CCH)(H)	C(CC[6a]Te)(CCH)(H)	H(CCC)	120.8415	0.538	2	120.8415	0.290	2	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CTiC)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CTiC)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.8070	0.000	1	116.8070	0.000	1	116.4041	4.432	4567	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:I-1:	C-3:	C(CCH)(CCI)(H)	C(CCH)(CCO)(I)	H(CCC)	C(CCH)(CCI)(H)	C(CCH)(CCO)(I)	H(CCC)	115.0990	0.000	1	115.0990	0.000	1	115.2870	0.057	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:I-1:	C-3:	C(CCH)(CCI)(H)	C(CCH)2(I)	H(CCC)	C(CCH)(CCI)(H)	C(CCH)2(I)	H(CCC)	115.3810	0.247	2	115.3810	0.061	2	115.2870	0.057	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CBrC)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CBrC)(CCH)(O)	H(CCC)	114.1550	0.000	1	114.1550	0.000	1	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CCC)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CCC)(CCH)(O)	H(CCC)	114.5636	3.415	7	114.5636	11.660	7	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCN)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCN)(O)	H(CCC)	113.3755	2.121	21	113.3755	4.497	21	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	H(CCC)	113.7768	0.912	19	113.7768	0.832	19	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CCH)2(O)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)2(O)	H(CCC)	118.9187	7.693	3	118.9187	59.179	3	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CC[6]C)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CC[6]C)(CCH)(O)	H(CCC)	114.2510	0.000	1	114.2510	0.000	1	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(O)	H(CCC)	117.7860	0.000	2	117.7860	0.000	2	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CClC)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CClC)(CCH)(O)	H(CCC)	118.6550	0.856	2	118.6550	0.732	2	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CN[5]C)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CN[5]C)(CCH)(O)	H(CCC)	113.0790	0.000	1	113.0790	0.000	1	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CN[6]C)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CN[6]C)(CCH)(O)	H(CCC)	113.4010	0.346	2	113.4010	0.120	2	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCN)(CCO)(H)	C(CCH)(CCO)(O)	H(CCC)	C(CCN)(CCO)(H)	C(CCH)(CCO)(O)	H(CCC)	114.0840	0.000	1	114.0840	0.000	1	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCN)(CCO)(H)	C(CCH)2(O)	H(CCC)	C(CCN)(CCO)(H)	C(CCH)2(O)	H(CCC)	118.0340	0.272	3	118.0340	0.074	3	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCO)(CHN)(H)	C(CCH)(CNO)(O)	H(CCC)	C(CCO)(CHN)(H)	C(CCH)(CNO)(O)	H(CCC)	120.1480	0.260	2	120.1480	0.068	2	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCO)2(H)	C(CCC)(CCH)(O)	H(CCC)	C(CCO)2(H)	C(CCC)(CCH)(O)	H(CCC)	123.2830	0.700	2	123.2830	0.490	2	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CCO)2(H)	C(CCH)2(O)	H(CCC)	C(CCO)2(H)	C(CCH)2(O)	H(CCC)	119.2094	0.735	14	119.2094	0.540	14	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[5]C)(CCO)(H)	C(CC[6]H)(CCH)(O)	H(CCC)	C(CC[5]C)(CCO)(H)	C(CC[6]H)(CCH)(O)	H(CCC)	113.8640	0.385	8	113.8640	0.148	8	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[5]H)(CCO)(H)	C(CCC)(CCH)(O)	H(CCC)	C(CC[5]H)(CCO)(H)	C(CCC)(CCH)(O)	H(CCC)	117.6920	0.000	1	117.6920	0.000	1	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[5a]H)(CCO)(H)	C(CCC)(CCH)(O)	H(CCC)	C(CC[5a]H)(CCO)(H)	C(CCC)(CCH)(O)	H(CCC)	119.0890	0.000	1	119.0890	0.000	1	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[5a]H)(CCO)(H)	C(CCH)(CCO)(O)	H(CCC)	C(CC[5a]H)(CCO)(H)	C(CCH)(CCO)(O)	H(CCC)	120.5315	0.992	2	120.5315	0.984	2	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[5a]H)(CCO)(H)	C(CCH)2(O)	H(CCC)	C(CC[5a]H)(CCO)(H)	C(CCH)2(O)	H(CCC)	118.8648	0.179	4	118.8648	0.032	4	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[6]H)(CCO)(H)	C(CCH)2(O)	H(CCC)	C(CC[6]H)(CCO)(H)	C(CCH)2(O)	H(CCC)	119.7990	0.000	1	119.7990	0.000	1	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[6a]2)(CCO)(H)	C(CCH)2(O)	H(CCC)	C(CC[6a]2)(CCO)(H)	C(CCH)2(O)	H(CCC)	115.1938	0.498	6	115.1938	0.248	6	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[6a]C)(CCO)(H)	C(CCH)(CCN)(O)	H(CCC)	C(CC[6a]C)(CCO)(H)	C(CCH)(CCN)(O)	H(CCC)	117.9500	0.000	1	117.9500	0.000	1	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCC)(CCH)(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCC)(CCH)(O)	H(CCC)	117.0070	3.847	2	117.0070	14.797	2	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCH)(CCN)(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)(CCN)(O)	H(CCC)	113.3020	0.000	1	113.3020	0.000	1	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCH)(COO)(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)(COO)(O)	H(CCC)	119.8070	0.000	1	119.8070	0.000	1	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCH)2(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)2(O)	H(CCC)	118.8445	0.933	91	118.8445	0.871	91	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CC[5]C)(CCH)(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CC[5]C)(CCH)(O)	H(CCC)	119.6955	0.606	2	119.6955	0.367	2	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CC[6a]O)(CCO)(H)	C(CCH)(COO)(O)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CCH)(COO)(O)	H(CCC)	116.9700	4.298	2	116.9700	18.471	2	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(CIrH)(CCO)(H)	C(CCH)2(O)	H(CCC)	C(CIrH)(CCO)(H)	C(CCH)2(O)	H(CCC)	117.1750	0.498	2	117.1750	0.248	2	117.2295	8.153	206	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	120.2072	0.744	6	120.2072	0.553	6	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	117.0130	0.000	1	117.0130	0.000	1	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CCH)(NOO)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CCH)(NOO)(H)	H(CCC)	119.7790	0.998	3	119.7790	0.995	3	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CCO)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CCO)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	120.1100	0.000	1	120.1100	0.000	1	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CCO)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	C(CCO)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	119.8640	0.503	3	119.8640	0.253	3	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CC[5]H)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CC[5]H)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	113.3720	0.000	1	113.3720	0.000	1	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CC[5a]O)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CC[5a]O)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	120.0900	0.571	4	120.0900	0.326	4	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CC[6]O)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CC[6]O)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	120.1020	0.484	4	120.1020	0.234	4	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CC[6a]C)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CC[6a]C)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	119.3070	0.000	1	119.3070	0.000	1	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CC[6a]C[4])(CHN)(H)	C(CCH)(NCS)(H)	H(CCC)	C(CC[6a]C[4])(CHN)(H)	C(CCH)(NCS)(H)	H(CCC)	113.8830	0.239	2	113.8830	0.057	2	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	119.5330	0.000	1	119.5330	0.000	1	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(CCH)(NCN)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(CCH)(NCN)(H)	H(CCC)	120.9050	0.013	2	120.9050	0.000	2	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CC[6a]N)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CC[6a]N)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	119.2490	0.533	3	119.2490	0.284	3	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CC[6a]O)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CC[6a]O)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	120.3004	0.363	9	120.3004	0.132	9	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CHN)(COO)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CHN)(COO)(H)	C(CCH)(NCC)(H)	H(CCC)	121.9720	0.000	1	121.9720	0.000	1	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CHN)(COO)(H)	C(CCH)(NCH)(H)	H(CCC)	C(CHN)(COO)(H)	C(CCH)(NCH)(H)	H(CCC)	118.6170	0.000	1	118.6170	0.000	1	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CHN)(COO)(H)	C(CCH)(NCS)(H)	H(CCC)	C(CHN)(COO)(H)	C(CCH)(NCS)(H)	H(CCC)	119.8860	0.000	1	119.8860	0.000	1	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CHN)2(H)	C(CCH)(NCH)(H)	H(CCC)	C(CHN)2(H)	C(CCH)(NCH)(H)	H(CCC)	119.6790	0.000	1	119.6790	0.000	1	119.5657	3.162	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CCH)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	C(CCH)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	119.5226	0.400	5	119.5226	0.160	5	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CCH)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	C(CCH)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	118.2506	1.796	29	118.2506	3.225	29	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CCH)(CNO)(H)	C(CCH)(NHH)(O)	H(CCC)	C(CCH)(CNO)(H)	C(CCH)(NHH)(O)	H(CCC)	119.0820	0.000	1	119.0820	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CCH)(CNO)(H)	C(CCH)(NHS)(O)	H(CCC)	C(CCH)(CNO)(H)	C(CCH)(NHS)(O)	H(CCC)	118.4465	1.645	2	118.4465	2.707	2	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CCO)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	C(CCO)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	112.1917	0.964	3	112.1917	0.928	3	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CCO)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	C(CCO)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	116.9620	0.000	1	116.9620	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[5]H)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	C(CC[5]H)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	120.2660	0.000	1	120.2660	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[5a]C)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	C(CC[5a]C)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	115.5090	0.000	1	115.5090	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6]H)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	C(CC[6]H)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	115.9540	3.312	2	115.9540	10.970	2	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]2)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	C(CC[6a]2)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	117.0100	0.000	1	117.0100	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]C)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	C(CC[6a]C)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	117.5820	0.000	1	117.5820	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]C)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	C(CC[6a]C)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	114.5910	0.635	3	114.5910	0.404	3	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]Cl)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	C(CC[6a]Cl)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	114.9305	0.073	2	114.9305	0.005	2	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	119.7963	0.534	3	119.7963	0.285	3	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	119.0332	0.879	38	119.0332	0.772	38	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(CCH)(NCN)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(CCH)(NCN)(O)	H(CCC)	120.0830	0.000	1	120.0830	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(CCH)(NHH)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(CCH)(NHH)(O)	H(CCC)	116.3239	2.460	9	116.3239	6.050	9	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(CCH)(NHN)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(CCH)(NHN)(O)	H(CCC)	118.4897	3.373	10	118.4897	11.379	10	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]N)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	C(CC[6a]N)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	117.9450	0.000	1	117.9450	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]N)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	C(CC[6a]N)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	113.4290	0.000	1	113.4290	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CC[6a]O)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	C(CC[6a]O)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	115.0005	3.040	2	115.0005	9.241	2	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CHH)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	C(CHH)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	120.0000	0.000	1	120.0000	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CHH)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	C(CHH)(CNO)(H)	C(CCH)(NCH)(O)	H(CCC)	118.2602	1.512	17	118.2602	2.286	17	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CHH)(CNO)(H)	C(CCH)(NCS)(O)	H(CCC)	C(CHH)(CNO)(H)	C(CCH)(NCS)(O)	H(CCC)	121.0370	0.000	1	121.0370	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CHH)(CNO)(H)	C(CCH)(NHH)(O)	H(CCC)	C(CHH)(CNO)(H)	C(CCH)(NHH)(O)	H(CCC)	119.0010	0.000	1	119.0010	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(CN[5a]H)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	C(CN[5a]H)(CNO)(H)	C(CCH)(NCC)(O)	H(CCC)	113.9920	0.000	1	113.9920	0.000	1	118.0628	4.941	138	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:S-1:	C-3:	C(CSiH)(CNS)(H)	C(CCH)(NCC)(S)	H(CCC)	C(CSiH)(CNS)(H)	C(CCH)(NCC)(S)	H(CCC)	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:S-3:H-1:	C-3:	C(CHS)(COO)(H)	C(CCH)(SCO)(H)	H(CCC)	C(CHS)(COO)(H)	C(CCH)(SCO)(H)	H(CCC)	119.4815	0.153	2	119.4815	0.024	2	119.4815	0.024	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[4]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[4]H)(H)	C(C[4]C[4]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[4]H)(H)	C(C[4]C[4]2)(CCH)(H)	H(CCC)	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5,6]-3:C-3:H-1:	C-3:	C(CC[5,6]H)(COO)(H)	C(C[5,6]C[5,5,6]C[5,6])(CCH)(H)	H(CCC)	C(CC[5,6]H)(COO)(H)	C(C[5,6]C[5,5,6]C[5,6])(CCH)(H)	H(CCC)	120.1540	0.000	1	120.1540	0.000	1	120.1540	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:Br-1:	C-3:	C(CC[5]Br)(CCC)(H)	C(C[5]C[5]2)(CCH)(Br)	H(CCC)	C(CC[5]Br)(CCC)(H)	C(C[5]C[5]2)(CCH)(Br)	H(CCC)	114.0340	0.000	1	114.0340	0.000	1	114.0340	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]C)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]C)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	114.8730	0.130	3	114.8730	0.017	3	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CBrC)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CBrC)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	116.9480	0.000	1	116.9480	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	114.9126	0.412	42	114.9126	0.170	42	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCC)(H)	C(C[5]C[5]O[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCC)(H)	C(C[5]C[5]O[5])(CCH)(H)	H(CCC)	116.3390	0.000	1	116.3390	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,5a]C[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,5a]C[5])(CCH)(H)	H(CCC)	116.7680	2.437	3	116.7680	5.938	3	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5])(CCH)(H)	H(CCC)	117.1515	0.237	4	117.1515	0.056	4	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]N[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]N[5])(CCH)(H)	H(CCC)	115.4810	0.000	1	115.4810	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCH)(H)	H(CCC)	115.1426	1.283	10	115.1426	1.647	10	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]N[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]N[5])(CCH)(H)	H(CCC)	117.5670	0.000	1	117.5670	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	115.6976	1.204	161	115.6976	1.449	161	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]N[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]N[5])(CCH)(H)	H(CCC)	115.1445	0.763	167	115.1445	0.582	167	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]S[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]S[5])(CCH)(H)	H(CCC)	118.0140	1.905	4	118.0140	3.628	4	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]N[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]N[5]2)(CCH)(H)	H(CCC)	120.2810	4.367	3	120.2810	19.070	3	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCN)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CCN)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	115.4146	0.287	5	115.4146	0.082	5	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCO)(H)	C(C[5]C[5,5a]C[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCO)(H)	C(C[5]C[5,5a]C[5])(CCH)(H)	H(CCC)	122.4110	0.000	1	122.4110	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCO)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CCO)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	117.6370	0.000	1	117.6370	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCO)(H)	C(C[5]C[5]N[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCO)(H)	C(C[5]C[5]N[5])(CCH)(H)	H(CCC)	116.6600	0.000	1	116.6600	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCS)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CCS)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	115.0639	0.527	8	115.0639	0.278	8	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CC[6]C)(H)	C(C[5]C[5,6]C[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CC[6]C)(H)	C(C[5]C[5,6]C[5])(CCH)(H)	H(CCC)	116.2960	0.000	1	116.2960	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CC[6]H)(H)	C(C[5]N[5]S[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CC[6]H)(H)	C(C[5]N[5]S[5])(CCH)(H)	H(CCC)	119.1920	0.000	1	119.1920	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	117.6743	2.646	4	117.6743	7.001	4	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CHN)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CHN)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	113.4750	0.000	1	113.4750	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CN[5]C)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CN[5]C)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	114.8615	0.033	2	114.8615	0.001	2	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(COO)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(COO)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	118.8253	1.776	3	118.8253	3.155	3	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)2(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)2(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	116.4350	3.097	2	116.4350	9.592	2	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)2(H)	C(C[5]C[5]N[5])(CCH)(H)	H(CCC)	C(CC[5]H)2(H)	C(C[5]C[5]N[5])(CCH)(H)	H(CCC)	119.0513	0.298	3	119.0513	0.089	3	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)2(H)	C(C[5]N[5]S[5])(CCH)(H)	H(CCC)	C(CC[5]H)2(H)	C(C[5]N[5]S[5])(CCH)(H)	H(CCC)	118.1170	0.523	5	118.1170	0.274	5	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5a]C)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5a]C)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	116.8290	0.000	1	116.8290	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	119.7740	0.000	1	119.7740	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[5]H)(H)	C(C[5]C[5]N[5])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[5]H)(H)	C(C[5]C[5]N[5])(CCH)(H)	H(CCC)	118.9840	0.000	1	118.9840	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[6a]2)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[6a]2)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	116.2663	0.516	3	116.2663	0.266	3	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(CCH)(H)	H(CCC)	118.8555	0.207	2	118.8555	0.043	2	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	118.0652	1.467	4	118.0652	2.152	4	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[6a]O)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[6a]O)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	119.0990	0.311	2	119.0990	0.097	2	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[6a]S)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[6a]S)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	119.7140	0.000	1	119.7140	0.000	1	115.6608	2.064	454	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:	C(CC[5]O)(CCC)(H)	C(C[5]C[5]2)(CCH)(O)	H(CCC)	C(CC[5]O)(CCC)(H)	C(C[5]C[5]2)(CCH)(O)	H(CCC)	114.8820	0.000	1	114.8820	0.000	1	117.8071	3.060	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:	C(CC[5]O)(CCH)(H)	C(C[5]Cl[5]C[5])(CCH)(O)	H(CCC)	C(CC[5]O)(CCH)(H)	C(C[5]Cl[5]C[5])(CCH)(O)	H(CCC)	117.1690	0.000	1	117.1690	0.000	1	117.8071	3.060	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:	C(CC[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(CCH)(O)	H(CCC)	C(CC[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(CCH)(O)	H(CCC)	116.1650	0.000	1	116.1650	0.000	1	117.8071	3.060	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5,6]C[5])(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5,6]C[5])(CCH)(O)	H(CCC)	119.5470	0.000	1	119.5470	0.000	1	117.8071	3.060	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2)(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2)(CCH)(O)	H(CCC)	118.7820	0.000	1	118.7820	0.000	1	117.8071	3.060	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]N[5])(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]N[5])(CCH)(O)	H(CCC)	120.2040	0.000	1	120.2040	0.000	1	117.8071	3.060	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]O[5])(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]O[5])(CCH)(O)	H(CCC)	117.9830	0.000	1	117.9830	0.000	1	117.8071	3.060	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]N[5]2)(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]N[5]2)(CCH)(O)	H(CCC)	117.7250	0.000	1	117.7250	0.000	1	117.8071	3.060	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	118.1035	1.450	2	118.1035	2.103	2	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	114.2350	0.000	1	114.2350	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	114.0950	0.000	1	114.0950	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	115.5700	0.376	2	115.5700	0.142	2	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	115.4400	1.153	39	115.4400	1.330	39	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	115.4026	0.178	7	115.4026	0.032	7	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	121.1070	0.000	1	121.1070	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCH)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCH)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	H(CCC)	118.5615	0.006	2	118.5615	0.000	2	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCH)(H)	C(C[5a]N[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CCH)(H)	C(C[5a]N[5a]2)(CCH)(H)	H(CCC)	116.1040	0.290	2	116.1040	0.084	2	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCN)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCN)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	117.6577	0.742	3	117.6577	0.551	3	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	123.8570	0.000	1	123.8570	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	118.6997	0.494	3	118.6997	0.244	3	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	118.8995	1.995	2	118.8995	3.979	2	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	119.9027	1.218	6	119.9027	1.485	6	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	118.8020	0.124	2	118.8020	0.015	2	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[5]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[5]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	119.6930	0.000	1	119.6930	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[5]H)(H)	C(C[5a]N[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[5]H)(H)	C(C[5a]N[5a]2)(CCH)(H)	H(CCC)	119.0240	0.000	1	119.0240	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[5]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[5]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	119.8000	0.000	1	119.8000	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[5]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[5]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	116.9890	0.000	1	116.9890	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	119.4850	0.000	1	119.4850	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	121.9510	0.696	2	121.9510	0.484	2	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[6]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[6]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	119.7990	0.000	1	119.7990	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	110.5180	0.000	1	110.5180	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[6a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[6a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	118.8340	0.000	1	118.8340	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[6a]N)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[6a]N)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	117.8500	0.000	1	117.8500	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	119.1004	0.779	20	119.1004	0.606	20	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	118.4525	1.135	2	118.4525	1.288	2	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	119.6115	0.570	11	119.6115	0.325	11	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	119.4952	0.566	24	119.4952	0.320	24	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	H(CCC)	119.7300	0.000	2	119.7300	0.000	2	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCuC)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCuC)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	117.0050	0.000	1	117.0050	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CHN)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CHN)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	120.0340	0.000	1	120.0340	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CHN)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CHN)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	119.7683	1.050	3	119.7683	1.102	3	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	119.3520	0.000	1	119.3520	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	118.5420	0.000	1	118.5420	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	121.5480	0.000	1	121.5480	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CHO)(H)	C(C[5a]N[5a,6]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CHO)(H)	C(C[5a]N[5a,6]C[5a])(CCH)(H)	H(CCC)	119.0790	0.000	1	119.0790	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CNO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CNO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	120.5318	0.287	4	120.5318	0.082	4	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CN[5]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CN[5]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	120.2220	0.000	1	120.2220	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	119.9073	0.486	3	119.9073	0.236	3	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	118.4522	1.108	4	118.4522	1.227	4	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	119.4286	0.935	7	119.4286	0.875	7	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	119.6908	1.230	6	119.6908	1.513	6	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	118.1910	0.000	1	118.1910	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	H(CCC)	120.3500	0.000	1	120.3500	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a]2)(CCH)(H)	H(CCC)	119.2430	0.000	1	119.2430	0.000	1	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a]O[5a])(CCH)(H)	H(CCC)	116.9115	4.423	2	116.9115	19.563	2	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)2(H)	C(C[5a]C[5a,6a]N[5a,5a])(CCH)(H)	H(CCC)	C(CC[5a]H)2(H)	C(C[5a]C[5a,6a]N[5a,5a])(CCH)(H)	H(CCC)	119.0590	0.061	2	119.0590	0.004	2	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)2(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)2(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	118.4038	0.085	4	118.4038	0.007	4	118.2008	4.652	189	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	H(CCC)	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	H(CCC)	117.2380	0.081	2	117.2380	0.006	2	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	119.5380	0.000	1	119.5380	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CCC)(H)	C(C[5a]C[5a]2)(CCH)(O)	H(CCC)	C(CC[5a]O)(CCC)(H)	C(C[5a]C[5a]2)(CCH)(O)	H(CCC)	118.8140	0.000	1	118.8140	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	116.7275	2.798	2	116.7275	7.829	2	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CCH)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CCH)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	119.2130	0.000	1	119.2130	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CCN)(H)	C(C[5a]C[5a]2)(CCH)(O)	H(CCC)	C(CC[5a]O)(CCN)(H)	C(C[5a]C[5a]2)(CCH)(O)	H(CCC)	117.3746	0.343	5	117.3746	0.118	5	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]2)(CCH)(O)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]2)(CCH)(O)	H(CCC)	120.3480	0.000	1	120.3480	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CCS)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CCS)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	118.2970	0.104	3	118.2970	0.011	3	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]C)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]C)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	117.3860	0.000	1	117.3860	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(O)	H(CCC)	119.7430	0.321	2	119.7430	0.103	2	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]2)(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]2)(CCH)(O)	H(CCC)	119.0904	0.748	15	119.0904	0.559	15	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	118.8271	0.567	15	118.8271	0.322	15	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	H(CCC)	119.1074	0.800	9	119.1074	0.639	9	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	119.3214	0.864	51	119.3214	0.746	51	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(O)	H(CCC)	118.6165	1.986	2	118.6165	3.945	2	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a]2)(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a]2)(CCH)(O)	H(CCC)	118.0065	0.317	2	118.0065	0.101	2	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a]S[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a]S[5a])(CCH)(O)	H(CCC)	114.3730	0.000	1	114.3730	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]N)(H)	C(C[5a]C[5a]2)(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]N)(H)	C(C[5a]C[5a]2)(CCH)(O)	H(CCC)	118.8800	0.000	1	118.8800	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	119.4700	0.000	1	119.4700	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	H(CCC)	119.6355	0.231	4	119.6355	0.053	4	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	119.9010	0.000	1	119.9010	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CC[6a]S)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CC[6a]S)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	H(CCC)	117.4360	0.115	4	117.4360	0.013	4	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CHN)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CHN)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	119.8027	0.252	3	119.8027	0.064	3	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CHN)(H)	C(C[5a]N[5a]S[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CHN)(H)	C(C[5a]N[5a]S[5a])(CCH)(O)	H(CCC)	120.8240	0.000	1	120.8240	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	H(CCC)	117.5850	0.000	1	117.5850	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	H(CCC)	115.5450	0.000	1	115.5450	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)(CSS)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)(CSS)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(O)	H(CCC)	117.8530	0.000	1	117.8530	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(CC[5a]O)2(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	C(CC[5a]O)2(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	117.8380	0.000	1	117.8380	0.000	1	118.9008	1.267	133	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6,6]-3:C-3:H-1:	C-3:	C(CC[6,6]H)(CC[5]C)(H)	C(C[6,6]C[5,6,6]C[3x6])(CCH)(H)	H(CCC)	C(CC[6,6]H)(CC[5]C)(H)	C(C[6,6]C[5,6,6]C[3x6])(CCH)(H)	H(CCC)	116.9900	0.124	2	116.9900	0.015	2	118.0347	4.727	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6,6]-3:C-3:H-1:	C-3:	C(CC[6,6]H)(CC[6a]H)(H)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	H(CCC)	C(CC[6,6]H)(CC[6a]H)(H)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	H(CCC)	118.0470	0.000	1	118.0470	0.000	1	118.0347	4.727	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6,6]-3:C-3:H-1:	C-3:	C(CC[6,6]H)(CHH)(H)	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	H(CCC)	C(CC[6,6]H)(CHH)(H)	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	H(CCC)	114.2530	0.000	1	114.2530	0.000	1	118.0347	4.727	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6,6]-3:C-3:H-1:	C-3:	C(CC[6,6]H)(COO)(H)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	H(CCC)	C(CC[6,6]H)(COO)(H)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	H(CCC)	120.3450	0.000	1	120.3450	0.000	1	118.0347	4.727	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6,6]-3:C-3:H-1:	C-3:	C(CC[6,6]H)(COO)(H)	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	H(CCC)	C(CC[6,6]H)(COO)(H)	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	H(CCC)	119.8090	0.477	2	119.8090	0.227	2	118.0347	4.727	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[5]H)(CC[6]H)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	C(CC[5]H)(CC[6]H)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	119.1630	0.000	1	119.1630	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	119.7880	0.000	1	119.7880	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCC)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	H(CCC)	114.4990	0.000	1	114.4990	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6,6a]N[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCC)(H)	C(C[6]C[6,6a]N[6])(CCH)(H)	H(CCC)	114.7910	0.000	1	114.7910	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	118.0120	2.760	6	118.0120	7.616	6	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6]N[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCC)(H)	C(C[6]C[6]N[6])(CCH)(H)	H(CCC)	116.8210	0.000	1	116.8210	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	H(CCC)	115.2320	0.000	1	115.2320	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	119.4470	0.000	1	119.4470	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]O[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]O[6])(CCH)(H)	H(CCC)	116.8965	0.211	2	116.8965	0.045	2	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	117.6597	0.761	9	117.6597	0.580	9	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]N[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]N[6])(CCH)(H)	H(CCC)	118.6898	2.123	4	118.6898	4.509	4	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	117.1064	0.530	5	117.1064	0.280	5	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]N[6,6]C[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]N[6,6]C[6])(CCH)(H)	H(CCC)	118.3530	0.000	1	118.3530	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]N[6]O[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]N[6]O[6])(CCH)(H)	H(CCC)	117.9550	0.000	1	117.9550	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	119.7560	0.000	1	119.7560	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCO)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	118.3865	0.648	2	118.3865	0.420	2	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6]H)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	117.9480	0.000	1	117.9480	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CHN)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CHN)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	119.2523	0.564	4	119.2523	0.318	4	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(COO)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	119.4736	0.607	12	119.4736	0.369	12	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]C[6])(CCH)(H)	H(CCC)	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]C[6])(CCH)(H)	H(CCC)	117.1680	0.092	2	117.1680	0.008	2	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	116.2425	0.021	2	116.2425	0.000	2	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	117.2800	0.000	1	117.2800	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6a]C)(CC[6]H)(H)	C(C[6]C[5a,6]C[6])(CCH)(H)	H(CCC)	C(CC[6a]C)(CC[6]H)(H)	C(C[6]C[5a,6]C[6])(CCH)(H)	H(CCC)	113.3100	0.000	1	113.3100	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6a]C)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	C(CC[6a]C)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	118.2410	0.000	1	118.2410	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	119.4610	0.000	1	119.4610	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	119.0323	1.026	16	119.0323	1.052	16	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6a]O)(CC[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6a]O)(CC[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	120.0150	0.000	1	120.0150	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6a]O)(CC[6]H)(H)	C(C[6]C[6]N[6])(CCH)(H)	H(CCC)	C(CC[6a]O)(CC[6]H)(H)	C(C[6]C[6]N[6])(CCH)(H)	H(CCC)	119.9790	0.000	1	119.9790	0.000	1	118.2955	2.654	81	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-1:	C-3:	C(CC[6]O)(CCC)(H)	C(C[6]C[6]2)(CCH)(O)	H(CCC)	C(CC[6]O)(CCC)(H)	C(C[6]C[6]2)(CCH)(O)	H(CCC)	117.1030	0.000	1	117.1030	0.000	1	118.5707	2.013	11	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-1:	C-3:	C(CC[6]O)(CHN)(H)	C(C[6]C[6]2)(CCH)(O)	H(CCC)	C(CC[6]O)(CHN)(H)	C(C[6]C[6]2)(CCH)(O)	H(CCC)	119.4440	0.000	1	119.4440	0.000	1	118.5707	2.013	11	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-1:	C-3:	C(CC[6]O)(CPdN)(H)	C(C[6]C[6]N[6])(CCH)(O)	H(CCC)	C(CC[6]O)(CPdN)(H)	C(C[6]C[6]N[6])(CCH)(O)	H(CCC)	115.6610	0.000	1	115.6610	0.000	1	118.5707	2.013	11	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CC[6]O)(H)	C(C[6]C[6]2)(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[6]O)(H)	C(C[6]C[6]2)(CCH)(O)	H(CCC)	119.3144	0.574	7	119.3144	0.330	7	118.5707	2.013	11	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CC[6]O)(H)	C(C[6]C[6]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[6]O)(H)	C(C[6]C[6]2)(CCH)(O)	H(CCC)	116.8690	0.000	1	116.8690	0.000	1	118.5707	2.013	11	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:Br-1:	C-3:	C(CC[6a]Br)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Br)	H(CCC)	C(CC[6a]Br)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Br)	H(CCC)	116.9720	0.503	4	116.9720	0.253	4	116.9774	0.190	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:Br-1:	C-3:	C(CC[6a]Br)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(Br)	H(CCC)	C(CC[6a]Br)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(Br)	H(CCC)	116.9990	0.000	1	116.9990	0.000	1	116.9774	0.190	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]Cl)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	C(CC[6a]Cl)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	115.7425	0.279	2	115.7425	0.078	2	115.5436	0.589	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]Cl)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	C(CC[6a]Cl)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	114.9810	0.000	1	114.9810	0.000	1	115.5436	0.589	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]Cl)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	C(CC[6a]Cl)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	115.7710	1.510	2	115.7710	2.281	2	115.5436	0.589	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]Cl)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	C(CC[6a]Cl)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	116.3480	0.000	1	116.3480	0.000	1	115.5436	0.589	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]Cl)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	C(CC[6a]Cl)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	114.9965	0.132	2	114.9965	0.017	2	115.5436	0.589	8	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[3x6]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[3x6]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.3570	0.034	2	117.3570	0.001	2	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[3x6]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[3x6]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	120.4970	0.000	1	120.4970	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5,6]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5,6]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.8080	0.000	1	118.8080	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.5260	0.000	1	117.5260	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	120.2305	2.007	2	120.2305	4.030	2	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	118.8032	2.066	4	118.8032	4.269	4	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.4052	0.921	93	119.4052	0.848	93	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6,6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6,6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.0980	0.000	1	118.0980	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.1555	0.606	13	117.1555	0.368	13	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.4973	0.415	6	117.4973	0.172	6	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CBrC)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CBrC)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	116.0632	0.442	4	116.0632	0.196	4	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	116.9929	0.775	21	116.9929	0.600	21	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	120.4070	0.000	1	120.4070	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	118.0317	0.938	7	118.0317	0.880	7	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.4752	1.177	147	118.4752	1.386	147	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.8406	1.609	9	117.8406	2.588	9	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	H(CCC)	118.4660	0.000	1	118.4660	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	118.4630	0.231	2	118.4630	0.053	2	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.7892	1.452	166	118.7892	2.108	166	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCS)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCS)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.3010	0.000	1	117.3010	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[4]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[4]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.0050	0.000	1	118.0050	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[4]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[4]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.4465	0.938	2	119.4465	0.880	2	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.2054	0.337	5	119.2054	0.114	5	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[5]N)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[5]N)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.7610	0.000	1	117.7610	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.9084	0.742	25	118.9084	0.550	25	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.4646	1.250	17	119.4646	1.563	17	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[6]N)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[6]N)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.3300	0.000	1	117.3300	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.0426	1.296	14	119.0426	1.679	14	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.5908	0.589	19	117.5908	0.347	19	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	118.5649	1.109	17	118.5649	1.231	17	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	119.0450	0.706	9	119.0450	0.498	9	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.4099	1.038	542	119.4099	1.077	542	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.9944	1.077	112	118.9944	1.159	112	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	120.0434	2.723	11	120.0434	7.413	11	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CIrC)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CIrC)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	116.0870	3.028	3	116.0870	9.169	3	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.3027	0.071	3	118.3027	0.005	3	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.4279	1.794	92	119.4279	3.217	92	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]N[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]N[6a])(CCH)(H)	H(CCC)	119.2217	0.638	3	119.2217	0.408	3	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CN[5]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CN[5]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	121.2146	0.745	5	121.2146	0.555	5	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CN[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CN[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.8757	0.484	13	119.8757	0.234	13	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CN[5]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CN[5]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(H)	H(CCC)	120.1780	0.000	1	120.1780	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CN[5a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CN[5a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.8940	0.979	3	119.8940	0.959	3	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CN[5a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CN[5a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.9665	0.080	2	119.9665	0.006	2	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CN[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CN[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.8421	0.774	11	119.8421	0.598	11	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	H(CCC)	119.0370	0.424	7	119.0370	0.180	7	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(COO)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(COO)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	H(CCC)	116.8380	0.000	1	116.8380	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(H)	H(CCC)	117.1800	0.000	1	117.1800	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	119.6395	0.450	4	119.6395	0.203	4	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	119.3916	0.875	8	119.3916	0.766	8	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.9422	1.503	312	118.9422	2.259	312	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(COS)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(COS)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	120.4753	3.493	4	120.4753	12.200	4	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)2(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)2(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	120.3800	0.000	1	120.3800	0.000	1	119.0451	1.836	1733	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	117.8416	1.278	7	117.8416	1.633	7	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[5a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[5a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	115.0755	3.449	2	115.0755	11.893	2	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[5a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[5a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	117.2450	0.000	1	117.2450	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	H(CCC)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	H(CCC)	119.3830	0.000	1	119.3830	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	119.3956	0.706	56	119.3956	0.498	56	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6,6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6,6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	117.6360	0.000	1	117.6360	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	116.7660	0.000	1	116.7660	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]Br)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]Br)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	116.9660	0.000	1	116.9660	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	116.3435	1.208	11	116.3435	1.458	11	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]Cl)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]Cl)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	116.8630	0.919	2	116.8630	0.845	2	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	H(CCC)	119.7105	0.635	6	119.7105	0.404	6	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	H(CCC)	118.2793	0.650	12	118.2793	0.423	12	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	H(CCC)	119.4705	0.279	2	119.4705	0.078	2	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	119.1735	1.005	533	119.1735	1.011	533	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	H(CCC)	118.6608	1.138	10	118.6608	1.294	10	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	117.9633	1.018	14	117.9633	1.036	14	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	118.1484	0.865	7	118.1484	0.749	7	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	118.7581	1.199	28	118.7581	1.436	28	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	H(CCC)	120.2580	0.308	2	120.2580	0.095	2	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	118.0305	0.510	26	118.0305	0.260	26	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	119.9042	1.138	21	119.9042	1.296	21	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CCS)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CCS)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	118.7397	0.703	6	118.7397	0.494	6	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CC[3]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[3]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	H(CCC)	120.0660	0.000	1	120.0660	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CC[5]C)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[5]C)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	116.2155	2.183	2	116.2155	4.765	2	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	119.2207	0.358	8	119.2207	0.128	8	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	H(CCC)	119.3387	0.792	3	119.3387	0.627	3	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CC[6]C)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[6]C)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	118.7665	0.042	2	118.7665	0.002	2	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CC[6]H)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[6]H)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	H(CCC)	119.9580	0.000	1	119.9580	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	118.3010	1.655	3	118.3010	2.739	3	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CC[6]N)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[6]N)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	117.8350	0.139	2	117.8350	0.019	2	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	120.0240	0.000	1	120.0240	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	117.6697	0.507	3	117.6697	0.257	3	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CClC)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CClC)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	115.8460	0.000	2	115.8460	0.000	2	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	119.6800	1.175	10	119.6800	1.380	10	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	H(CCC)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	H(CCC)	120.3400	0.000	1	120.3400	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	117.8135	0.202	2	117.8135	0.041	2	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	H(CCC)	116.0705	0.168	2	116.0705	0.028	2	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	H(CCC)	118.5460	0.000	1	118.5460	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	116.7931	1.098	10	116.7931	1.206	10	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(CSiH)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)(CSiH)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	117.2800	0.000	1	117.2800	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	118.9574	1.323	62	118.9574	1.750	62	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	H(CCC)	120.4970	0.000	1	120.4970	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]Si)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	C(CC[6a]Si)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	H(CCC)	117.0360	0.000	1	117.0360	0.000	1	118.9729	1.419	869	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:S-1:	C-3:	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(S)	H(CCC)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(S)	H(CCC)	117.0570	0.000	1	117.0570	0.000	1	118.1585	2.427	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:S-1:	C-3:	C(CC[6a]S)(CNS)(H)	C(C[6a]C[6a]2)(CCH)(S)	H(CCC)	C(CC[6a]S)(CNS)(H)	C(C[6a]C[6a]2)(CCH)(S)	H(CCC)	119.2600	0.000	1	119.2600	0.000	1	118.1585	2.427	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:C-1:	C-3:	C(CCN)2(H)	C(NCuN)(CCH)(C)	H(CCC)	C(CCN)2(H)	C(NCuN)(CCH)(C)	H(CCC)	114.7460	0.076	2	114.7460	0.006	2	114.7460	0.006	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(NC[6a]C)(CCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(NC[6a]C)(CCH)(H)	H(CCC)	120.4540	0.896	5	120.4540	0.803	5	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(NTiH)(CCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(NTiH)(CCH)(H)	H(CCC)	102.6090	0.000	1	102.6090	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CCN)(CHN)(H)	C(NC[6]H)(CCH)(H)	H(CCC)	C(CCN)(CHN)(H)	C(NC[6]H)(CCH)(H)	H(CCC)	119.0170	0.000	1	119.0170	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CCO)(CHN)(H)	C(NC[6a]H)(CCH)(H)	H(CCC)	C(CCO)(CHN)(H)	C(NC[6a]H)(CCH)(H)	H(CCC)	120.4117	3.426	3	120.4117	11.740	3	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CCO)(CHN)(H)	C(NC[6a]Ni)(CCH)(H)	H(CCC)	C(CCO)(CHN)(H)	C(NC[6a]Ni)(CCH)(H)	H(CCC)	117.9400	0.000	1	117.9400	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]2)(CHN)(H)	C(NC[6a]Cu)(CCH)(H)	H(CCC)	C(CC[6a]2)(CHN)(H)	C(NC[6a]Cu)(CCH)(H)	H(CCC)	116.5530	0.000	1	116.5530	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]2)(CHN)(H)	C(NCuC)(CCH)(H)	H(CCC)	C(CC[6a]2)(CHN)(H)	C(NCuC)(CCH)(H)	H(CCC)	117.4460	0.186	3	117.4460	0.034	3	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NC[6]Cu)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NC[6]Cu)(CCH)(H)	H(CCC)	118.3917	0.382	6	118.3917	0.146	6	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NC[6]Ni)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NC[6]Ni)(CCH)(H)	H(CCC)	118.9657	0.555	3	118.9657	0.309	3	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NC[6]Zn)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NC[6]Zn)(CCH)(H)	H(CCC)	119.4953	0.744	3	119.4953	0.553	3	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NC[6a]O)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NC[6a]O)(CCH)(H)	H(CCC)	119.6480	0.000	1	119.6480	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NC[6a]Zn)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NC[6a]Zn)(CCH)(H)	H(CCC)	119.9370	0.294	2	119.9370	0.087	2	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NCdN)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NCdN)(CCH)(H)	H(CCC)	118.0615	0.176	2	118.0615	0.031	2	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NCoC)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NCoC)(CCH)(H)	H(CCC)	119.4770	0.504	6	119.4770	0.254	6	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NCuC)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NCuC)(CCH)(H)	H(CCC)	119.1031	0.722	17	119.1031	0.522	17	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NCuN)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NCuN)(CCH)(H)	H(CCC)	118.3890	0.000	1	118.3890	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NNiN)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NNiN)(CCH)(H)	H(CCC)	119.5895	0.718	2	119.5895	0.515	2	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NPdC)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NPdC)(CCH)(H)	H(CCC)	118.6695	1.382	2	118.6695	1.911	2	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NZnC)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NZnC)(CCH)(H)	H(CCC)	118.9292	0.256	4	118.9292	0.065	4	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHN)(H)	C(NZnN)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHN)(H)	C(NZnN)(CCH)(H)	H(CCC)	118.5460	0.000	1	118.5460	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]Ir)(CHN)(H)	C(NIrC)(CCH)(H)	H(CCC)	C(CC[6a]Ir)(CHN)(H)	C(NIrC)(CCH)(H)	H(CCC)	122.7820	0.158	2	122.7820	0.025	2	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]O)(CHN)(H)	C(NC[6a]H)(CCH)(H)	H(CCC)	C(CC[6a]O)(CHN)(H)	C(NC[6a]H)(CCH)(H)	H(CCC)	116.5700	0.000	1	116.5700	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]O)(CHN)(H)	C(NC[6a]Ni)(CCH)(H)	H(CCC)	C(CC[6a]O)(CHN)(H)	C(NC[6a]Ni)(CCH)(H)	H(CCC)	118.4622	0.309	6	118.4622	0.096	6	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]O)(CHN)(H)	C(NC[6a]Ru)(CCH)(H)	H(CCC)	C(CC[6a]O)(CHN)(H)	C(NC[6a]Ru)(CCH)(H)	H(CCC)	116.7165	0.189	2	116.7165	0.036	2	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]Rh)(CHN)(H)	C(NRhC)(CCH)(H)	H(CCC)	C(CC[6a]Rh)(CHN)(H)	C(NRhC)(CCH)(H)	H(CCC)	122.3225	0.400	2	122.3225	0.160	2	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CC[6a]S)(CHN)(H)	C(NC[6]Ni)(CCH)(H)	H(CCC)	C(CC[6a]S)(CHN)(H)	C(NC[6]Ni)(CCH)(H)	H(CCC)	117.6883	0.376	6	117.6883	0.142	6	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CHH)(CHN)(H)	C(NC[5]S)(CCH)(H)	H(CCC)	C(CHH)(CHN)(H)	C(NC[5]S)(CCH)(H)	H(CCC)	116.0170	0.000	1	116.0170	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CHH)(CHN)(H)	C(NRuH)(CCH)(H)	H(CCC)	C(CHH)(CHN)(H)	C(NRuH)(CCH)(H)	H(CCC)	119.4440	0.000	1	119.4440	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)2(H)	C(NC[6a]Co)(CCH)(H)	H(CCC)	C(CHN)2(H)	C(NC[6a]Co)(CCH)(H)	H(CCC)	117.6160	0.000	1	117.6160	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)2(H)	C(NC[6a]Cu)(CCH)(H)	H(CCC)	C(CHN)2(H)	C(NC[6a]Cu)(CCH)(H)	H(CCC)	116.5681	0.331	7	116.5681	0.110	7	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)2(H)	C(NC[6a]Fe)(CCH)(H)	H(CCC)	C(CHN)2(H)	C(NC[6a]Fe)(CCH)(H)	H(CCC)	118.0660	0.480	3	118.0660	0.231	3	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)2(H)	C(NC[6a]Ni)(CCH)(H)	H(CCC)	C(CHN)2(H)	C(NC[6a]Ni)(CCH)(H)	H(CCC)	117.6780	0.363	4	117.6780	0.132	4	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)2(H)	C(NC[6a]Pt)(CCH)(H)	H(CCC)	C(CHN)2(H)	C(NC[6a]Pt)(CCH)(H)	H(CCC)	116.4785	0.081	2	116.4785	0.007	2	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)2(H)	C(NC[6a]S)(CCH)(H)	H(CCC)	C(CHN)2(H)	C(NC[6a]S)(CCH)(H)	H(CCC)	120.3030	0.000	1	120.3030	0.000	1	118.5429	4.736	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CCC)(CNO)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	C(CCC)(CNO)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	116.6310	0.000	1	116.6310	0.000	1	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CCH)(CNO)(H)	C(NC[6]H)(CCH)(O)	H(CCC)	C(CCH)(CNO)(H)	C(NC[6]H)(CCH)(O)	H(CCC)	116.0661	3.079	7	116.0661	9.482	7	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CCH)(CNO)(H)	C(NC[6]N)(CCH)(O)	H(CCC)	C(CCH)(CNO)(H)	C(NC[6]N)(CCH)(O)	H(CCC)	119.9095	0.294	4	119.9095	0.086	4	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CCH)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	C(CCH)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	119.2055	0.521	2	119.2055	0.272	2	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CCH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	C(CCH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	115.6608	1.288	43	115.6608	1.659	43	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CCH)(CNO)(H)	C(NC[6a]N)(CCH)(O)	H(CCC)	C(CCH)(CNO)(H)	C(NC[6a]N)(CCH)(O)	H(CCC)	120.2700	0.791	2	120.2700	0.625	2	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CCO)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	C(CCO)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	117.4490	0.000	1	117.4490	0.000	1	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CCO)(CNO)(H)	C(NC[6a]S)(CCH)(O)	H(CCC)	C(CCO)(CNO)(H)	C(NC[6a]S)(CCH)(O)	H(CCC)	117.5960	0.000	1	117.5960	0.000	1	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[5a]H)(CNO)(H)	C(NC[3]C)(CCH)(O)	H(CCC)	C(CC[5a]H)(CNO)(H)	C(NC[3]C)(CCH)(O)	H(CCC)	120.4547	0.293	3	120.4547	0.086	3	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[6a]2)(CNO)(H)	C(NC[5a]H)(CCH)(O)	H(CCC)	C(CC[6a]2)(CNO)(H)	C(NC[5a]H)(CCH)(O)	H(CCC)	112.1350	0.000	1	112.1350	0.000	1	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[6a]2)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	C(CC[6a]2)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	116.3170	0.000	1	116.3170	0.000	1	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[6a]C)(CNO)(H)	C(NC[5a]S)(CCH)(O)	H(CCC)	C(CC[6a]C)(CNO)(H)	C(NC[5a]S)(CCH)(O)	H(CCC)	117.6960	0.000	1	117.6960	0.000	1	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(NC[5a]H)(CCH)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(NC[5a]H)(CCH)(O)	H(CCC)	118.5980	2.816	2	118.5980	7.928	2	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(NC[6]N)(CCH)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(NC[6]N)(CCH)(O)	H(CCC)	120.4125	0.182	2	120.4125	0.033	2	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	119.3882	0.705	5	119.3882	0.497	5	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	119.3793	0.556	13	119.3793	0.310	13	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[6a]H)(CNO)(H)	C(NC[6a]N)(CCH)(O)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(NC[6a]N)(CCH)(O)	H(CCC)	120.7325	0.110	2	120.7325	0.012	2	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[6a]N)(CNO)(H)	C(NC[6]C)(CCH)(O)	H(CCC)	C(CC[6a]N)(CNO)(H)	C(NC[6]C)(CCH)(O)	H(CCC)	116.7410	0.000	1	116.7410	0.000	1	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[6a]O)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	C(CC[6a]O)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	112.2190	0.000	1	112.2190	0.000	1	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CC[6a]S)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	C(CC[6a]S)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	118.8160	0.000	1	118.8160	0.000	1	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CClC)(CNO)(H)	C(NC[6]2)(CCH)(O)	H(CCC)	C(CClC)(CNO)(H)	C(NC[6]2)(CCH)(O)	H(CCC)	117.8010	0.000	1	117.8010	0.000	1	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CHH)(CNO)(H)	C(NC[6]H)(CCH)(O)	H(CCC)	C(CHH)(CNO)(H)	C(NC[6]H)(CCH)(O)	H(CCC)	119.2870	0.355	2	119.2870	0.126	2	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CHH)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	C(CHH)(CNO)(H)	C(NC[6a]C)(CCH)(O)	H(CCC)	119.3760	0.000	1	119.3760	0.000	1	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CHH)(CNO)(H)	C(NC[6a]C[6])(CCH)(O)	H(CCC)	C(CHH)(CNO)(H)	C(NC[6a]C[6])(CCH)(O)	H(CCC)	119.7245	0.349	2	119.7245	0.122	2	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CHH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	C(CHH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	118.7815	0.455	2	118.7815	0.207	2	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(CSiH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	C(CSiH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	H(CCC)	118.8195	0.026	2	118.8195	0.001	2	117.4057	5.470	104	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:C-3:S-1:	C-3:	C(CC[6a]O)(CNS)(H)	C(NC[6a]H)(CCH)(S)	H(CCC)	C(CC[6a]O)(CNS)(H)	C(NC[6a]H)(CCH)(S)	H(CCC)	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CN[5]H)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CN[5]H)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	121.1748	0.749	5	121.1748	0.561	5	119.8189	4.133	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(CCC)(H)	C(N[5]C[5]N[5])(CCH)(H)	H(CCC)	C(CN[5]H)(CCC)(H)	C(N[5]C[5]N[5])(CCH)(H)	H(CCC)	114.4185	0.538	2	114.4185	0.290	2	119.8189	4.133	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	C(CN[5]H)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	120.6693	1.057	4	120.6693	1.117	4	119.8189	4.133	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(COO)(H)	C(N[5]C[5,6a]C[5,5])(CCH)(H)	H(CCC)	C(CN[5]H)(COO)(H)	C(N[5]C[5,6a]C[5,5])(CCH)(H)	H(CCC)	120.8383	0.810	4	120.8383	0.656	4	119.8189	4.133	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(COO)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)	H(CCC)	C(CN[5]H)(COO)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)	H(CCC)	119.6780	0.832	2	119.6780	0.691	2	119.8189	4.133	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(COO)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	C(CN[5]H)(COO)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	119.3651	1.321	7	119.3651	1.745	7	119.8189	4.133	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CC[5a]H)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(O)	H(CCC)	C(CC[5a]H)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(O)	H(CCC)	120.1920	0.000	1	120.1920	0.000	1	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,5,6]S[5])(CCH)(O)	H(CCC)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,5,6]S[5])(CCH)(O)	H(CCC)	119.7900	0.000	1	119.7900	0.000	1	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]2)(CCH)(O)	H(CCC)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]2)(CCH)(O)	H(CCC)	119.6720	0.000	1	119.6720	0.000	1	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(CCH)(O)	H(CCC)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(CCH)(O)	H(CCC)	120.2075	0.045	2	120.2075	0.002	2	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	H(CCC)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	H(CCC)	121.1530	0.000	1	121.1530	0.000	1	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6a]N[5])(CCH)(O)	H(CCC)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6a]N[5])(CCH)(O)	H(CCC)	119.9590	0.000	1	119.9590	0.000	1	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(O)	H(CCC)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(O)	H(CCC)	119.4992	0.173	5	119.4992	0.030	5	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]N[5])(CCH)(O)	H(CCC)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]N[5])(CCH)(O)	H(CCC)	119.8740	0.000	1	119.8740	0.000	1	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]S[5])(CCH)(O)	H(CCC)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]S[5])(CCH)(O)	H(CCC)	119.6600	0.000	1	119.6600	0.000	1	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CN[5]O)(CBrC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	H(CCC)	C(CN[5]O)(CBrC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	H(CCC)	115.2605	0.090	2	115.2605	0.008	2	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CN[5]O)(CBrC)(H)	C(N[5]C[5]N[5])(CCH)(O)	H(CCC)	C(CN[5]O)(CBrC)(H)	C(N[5]C[5]N[5])(CCH)(O)	H(CCC)	115.8130	0.000	1	115.8130	0.000	1	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CN[5]O)(CCC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	H(CCC)	C(CN[5]O)(CCC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	H(CCC)	115.5410	0.534	3	115.5410	0.285	3	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CN[5]O)(CCH)(H)	C(N[5]C[5,5]S[5])(CCH)(O)	H(CCC)	C(CN[5]O)(CCH)(H)	C(N[5]C[5,5]S[5])(CCH)(O)	H(CCC)	120.3154	0.523	5	120.3154	0.273	5	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	H(CCC)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	H(CCC)	118.5699	1.372	9	118.5699	1.882	9	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CN[5]O)(CCH)(H)	C(N[5]C[5]N[5])(CCH)(O)	H(CCC)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]N[5])(CCH)(O)	H(CCC)	116.0015	0.057	2	116.0015	0.003	2	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CN[5]O)(CCO)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	H(CCC)	C(CN[5]O)(CCO)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	H(CCC)	116.7350	0.279	2	116.7350	0.078	2	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:	C(CN[5]O)(CCO)(H)	C(N[5]C[5,6a]N[5])(CCH)(O)	H(CCC)	C(CN[5]O)(CCO)(H)	C(N[5]C[5,6a]N[5])(CCH)(O)	H(CCC)	118.9375	0.349	2	118.9375	0.122	2	118.5805	3.487	40	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:C-3:Se-1:	C-3:	C(CN[5]Se)(CCH)(H)	C(N[5]C[5]2)(CCH)(Se)	H(CCC)	C(CN[5]Se)(CCH)(H)	C(N[5]C[5]2)(CCH)(Se)	H(CCC)	117.7600	1.073	2	117.7600	1.152	2	117.7600	1.152	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CN[5a]H)(H)	C(N[5a]B[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CN[5a]H)(H)	C(N[5a]B[5a]N[5a])(CCH)(H)	H(CCC)	119.3110	0.024	2	119.3110	0.001	2	119.2761	5.068	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CN[5a]H)(H)	C(N[5a]C[5a,6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CN[5a]H)(H)	C(N[5a]C[5a,6a]2)(CCH)(H)	H(CCC)	121.9130	0.642	2	121.9130	0.412	2	119.2761	5.068	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(CN[5a]H)(CCH)(H)	C(N[5a]C[5a]2)(CCH)(H)	H(CCC)	C(CN[5a]H)(CCH)(H)	C(N[5a]C[5a]2)(CCH)(H)	H(CCC)	119.4670	0.156	2	119.4670	0.024	2	119.2761	5.068	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(CN[5a]H)(CCO)(H)	C(N[5a]C[5a,6a]O[5a])(CCH)(H)	H(CCC)	C(CN[5a]H)(CCO)(H)	C(N[5a]C[5a,6a]O[5a])(CCH)(H)	H(CCC)	117.7850	0.000	1	117.7850	0.000	1	119.2761	5.068	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(CN[5a]H)(CNO)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CN[5a]H)(CNO)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	113.9520	0.000	1	113.9520	0.000	1	119.2761	5.068	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(CN[5a]H)(COO)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CN[5a]H)(COO)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	119.8210	0.185	2	119.8210	0.034	2	119.2761	5.068	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5a]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CN[5a]O)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(O)	H(CCC)	C(CC[6a]H)(CN[5a]O)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(O)	H(CCC)	119.9760	0.205	2	119.9760	0.042	2	119.4593	0.959	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5a]-3:C-3:O-1:	C-3:	C(CN[5a]O)(CCH)(H)	C(N[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	C(CN[5a]O)(CCH)(H)	C(N[5a]C[5a]N[5a])(CCH)(O)	H(CCC)	119.4517	1.087	7	119.4517	1.182	7	119.4593	0.959	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5a]-3:C-3:O-1:	C-3:	C(CN[5a]O)(CCN)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(O)	H(CCC)	C(CN[5a]O)(CCN)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(O)	H(CCC)	118.4790	0.000	1	118.4790	0.000	1	119.4593	0.959	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:H-1:	C-3:	C(CN[6]H)(CCH)(H)	C(N[6]C[6]2)(CCH)(H)	H(CCC)	C(CN[6]H)(CCH)(H)	C(N[6]C[6]2)(CCH)(H)	H(CCC)	120.9790	0.000	1	120.9790	0.000	1	121.2884	1.233	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:H-1:	C-3:	C(CN[6]H)(CHO)(H)	C(N[6]C[6,6a]2)(CCH)(H)	H(CCC)	C(CN[6]H)(CHO)(H)	C(N[6]C[6,6a]2)(CCH)(H)	H(CCC)	121.7890	0.000	1	121.7890	0.000	1	121.2884	1.233	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:H-1:	C-3:	C(CN[6]H)(CHO)(H)	C(N[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	C(CN[6]H)(CHO)(H)	C(N[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	122.8220	0.000	1	122.8220	0.000	1	121.2884	1.233	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:H-1:	C-3:	C(CN[6]H)(CNN)(H)	C(N[6]C[6]2)(CCH)(H)	H(CCC)	C(CN[6]H)(CNN)(H)	C(N[6]C[6]2)(CCH)(H)	H(CCC)	121.0370	0.000	1	121.0370	0.000	1	121.2884	1.233	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:H-1:	C-3:	C(CN[6]H)(COO)(H)	C(N[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	C(CN[6]H)(COO)(H)	C(N[6]C[6,6a]C[6])(CCH)(H)	H(CCC)	119.8150	0.000	1	119.8150	0.000	1	121.2884	1.233	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:	C(CC[5a]C)(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	C(CC[5a]C)(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	117.7890	0.000	1	117.7890	0.000	1	119.2711	1.187	30	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:	C(CC[5a]C[6a])(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	C(CC[5a]C[6a])(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	118.3150	0.000	1	118.3150	0.000	1	119.2711	1.187	30	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:	C(CC[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	C(CC[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	116.7980	0.088	3	116.7980	0.008	3	119.2711	1.187	30	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CN[6]O)(H)	C(N[6]C[5,6]C[6])(CCH)(O)	H(CCC)	C(CC[6a]H)(CN[6]O)(H)	C(N[6]C[5,6]C[6])(CCH)(O)	H(CCC)	121.2115	0.233	2	121.2115	0.054	2	119.2711	1.187	30	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:	C(CC[6a]H)(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	C(CC[6a]H)(CN[6]O)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	119.5534	0.363	9	119.5534	0.132	9	119.2711	1.187	30	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:	C(CN[6]O)(CCH)(H)	C(N[6]C[6,6a]C[6])(CCH)(O)	H(CCC)	C(CN[6]O)(CCH)(H)	C(N[6]C[6,6a]C[6])(CCH)(O)	H(CCC)	119.0510	0.000	1	119.0510	0.000	1	119.2711	1.187	30	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:	C(CN[6]O)(CCH)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	C(CN[6]O)(CCH)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	119.5717	0.325	7	119.5717	0.106	7	119.2711	1.187	30	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:	C(CN[6]O)(CHH)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	C(CN[6]O)(CHH)(H)	C(N[6]C[6]2)(CCH)(O)	H(CCC)	119.5297	0.611	6	119.5297	0.373	6	119.2711	1.187	30	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(CClC)(NCH)(H)	C(CHN)(COO)(Cl)	H(CCN)	C(CClC)(NCH)(H)	C(CHN)(COO)(Cl)	H(CCN)	117.5630	0.000	1	117.5630	0.000	1	117.5630	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CCH)(CHN)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CCH)(CHN)(H)	H(CCN)	116.1362	0.381	6	116.1362	0.145	6	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CCO)(CHN)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CCO)(CHN)(H)	H(CCN)	116.1400	0.000	1	116.1400	0.000	1	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CC[5]H)(CHN)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CC[5]H)(CHN)(H)	H(CCN)	115.6440	0.000	1	115.6440	0.000	1	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CC[5a]O)(CHN)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CC[5a]O)(CHN)(H)	H(CCN)	116.4333	0.646	4	116.4333	0.418	4	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CC[6]O)(CHN)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CC[6]O)(CHN)(H)	H(CCN)	116.3988	0.766	4	116.3988	0.587	4	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CC[6a]C)(CHN)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CC[6a]C)(CHN)(H)	H(CCN)	116.8220	0.000	1	116.8220	0.000	1	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CC[6a]N)(CHN)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CC[6a]N)(CHN)(H)	H(CCN)	116.8343	0.105	3	116.8343	0.011	3	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CC[6a]O)(CHN)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CC[6a]O)(CHN)(H)	H(CCN)	116.4570	0.897	9	116.4570	0.804	9	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CHN)(COO)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CHN)(COO)(H)	H(CCN)	115.6260	0.000	1	115.6260	0.000	1	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCH)(H)	C(CCH)(CHN)(H)	H(CCN)	C(CCH)(NCH)(H)	C(CCH)(CHN)(H)	H(CCN)	116.9990	0.000	1	116.9990	0.000	1	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCH)(H)	C(CCO)(CHN)(H)	H(CCN)	C(CCH)(NCH)(H)	C(CCO)(CHN)(H)	H(CCN)	116.7883	0.245	3	116.7883	0.060	3	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(CCH)(NCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	118.3440	0.000	1	118.3440	0.000	1	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCH)(H)	C(CHN)(COO)(H)	H(CCN)	C(CCH)(NCH)(H)	C(CHN)(COO)(H)	H(CCN)	118.1560	0.000	1	118.1560	0.000	1	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCH)(H)	C(CHN)2(H)	H(CCN)	C(CCH)(NCH)(H)	C(CHN)2(H)	H(CCN)	117.8230	0.000	1	117.8230	0.000	1	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCN)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(CCH)(NCN)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	117.3145	0.448	2	117.3145	0.200	2	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCS)(H)	C(CC[6a]C[4])(CHN)(H)	H(CCN)	C(CCH)(NCS)(H)	C(CC[6a]C[4])(CHN)(H)	H(CCN)	115.6465	0.186	2	115.6465	0.035	2	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCS)(H)	C(CHN)(COO)(H)	H(CCN)	C(CCH)(NCS)(H)	C(CHN)(COO)(H)	H(CCN)	117.2160	0.000	1	117.2160	0.000	1	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NOO)(H)	C(CCH)(CHN)(H)	H(CCN)	C(CCH)(NOO)(H)	C(CCH)(CHN)(H)	H(CCN)	126.7583	1.636	3	126.7583	2.678	3	117.2465	7.299	45	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:N-3:H-1:	C-3:	C(CHN)(NCO)(H)	C(CHN)(NCO)(H)	H(CCN)	C(CHN)(NCO)(H)	C(CHN)(NCO)(H)	H(CCN)	119.3460	0.154	2	119.3460	0.024	2	117.7085	6.342	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:N-3:H-1:	C-3:	C(CHN)(NCS)(H)	C(CHN)(NCS)(H)	H(CCN)	C(CHN)(NCS)(H)	C(CHN)(NCS)(H)	H(CCN)	116.5605	1.244	2	116.5605	1.547	2	117.7085	6.342	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:N-3:H-1:	C-3:	C(CHN)(NHH)(H)	C(CHN)(NOO)(H)	H(CCN)	C(CHN)(NHH)(H)	C(CHN)(NOO)(H)	H(CCN)	113.9280	0.000	1	113.9280	0.000	1	117.7085	6.342	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:N-3:H-1:	C-3:	C(CHN)(NOO)(H)	C(CHN)(NHH)(H)	H(CCN)	C(CHN)(NOO)(H)	C(CHN)(NHH)(H)	H(CCN)	120.5100	0.000	1	120.5100	0.000	1	117.7085	6.342	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(NCC)(H)	C(C[5a]C[5a]N[5a])(CHN)(H)	H(CCN)	C(CC[5a]H)(NCC)(H)	C(C[5a]C[5a]N[5a])(CHN)(H)	H(CCN)	119.6210	0.533	2	119.6210	0.284	2	119.0098	2.211	17	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(NCC)(H)	C(C[5a]C[5a]O[5a])(CHN)(H)	H(CCN)	C(CC[5a]H)(NCC)(H)	C(C[5a]C[5a]O[5a])(CHN)(H)	H(CCN)	118.0070	1.643	2	118.0070	2.700	2	119.0098	2.211	17	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(NCC)(H)	C(C[5a]N[5a,6]C[5a])(CHN)(H)	H(CCN)	C(CC[5a]H)(NCC)(H)	C(C[5a]N[5a,6]C[5a])(CHN)(H)	H(CCN)	115.8190	0.713	2	115.8190	0.508	2	119.0098	2.211	17	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(NCH)(H)	C(C[5a]C[5a]2)(CHN)(H)	H(CCN)	C(CC[5a]H)(NCH)(H)	C(C[5a]C[5a]2)(CHN)(H)	H(CCN)	120.9470	0.000	1	120.9470	0.000	1	119.0098	2.211	17	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a,6a]C[5a])(CHN)(H)	H(CCN)	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a,6a]C[5a])(CHN)(H)	H(CCN)	119.6160	0.000	1	119.6160	0.000	1	119.0098	2.211	17	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a]N[5a])(CHN)(H)	H(CCN)	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a]N[5a])(CHN)(H)	H(CCN)	119.3900	0.000	1	119.3900	0.000	1	119.0098	2.211	17	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a]O[5a])(CHN)(H)	H(CCN)	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a]O[5a])(CHN)(H)	H(CCN)	119.5399	0.567	8	119.5399	0.321	8	119.0098	2.211	17	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(NCC)(H)	C(C[6]C[5a,6]2)(CHN)(H)	H(CCN)	C(CC[6]H)(NCC)(H)	C(C[6]C[5a,6]2)(CHN)(H)	H(CCN)	116.4966	0.565	5	116.4966	0.320	5	117.3541	2.755	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(NCC)(H)	C(C[6]C[6]2)(CHN)(H)	H(CCN)	C(CC[6]H)(NCC)(H)	C(C[6]C[6]2)(CHN)(H)	H(CCN)	120.5890	0.000	1	120.5890	0.000	1	117.3541	2.755	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(NRuO)(H)	C(C[6]C[6]N[6])(CHN)(H)	H(CCN)	C(CC[6]H)(NRuO)(H)	C(C[6]C[6]N[6])(CHN)(H)	H(CCN)	118.4070	0.000	1	118.4070	0.000	1	117.3541	2.755	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]Cl)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(Cl)	H(CCN)	C(CC[6a]Cl)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(Cl)	H(CCN)	125.4280	0.000	1	125.4280	0.000	1	125.4280	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	117.1474	0.696	7	117.1474	0.485	7	119.5814	10.807	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]N[6a])(CHN)(H)	H(CCN)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]N[6a])(CHN)(H)	H(CCN)	116.2960	0.448	2	116.2960	0.201	2	119.5814	10.807	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	C(CC[6a]H)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	119.5552	0.968	5	119.5552	0.937	5	119.5814	10.807	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	C(CC[6a]H)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	116.5910	0.000	1	116.5910	0.000	1	119.5814	10.807	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	C(CC[6a]H)(NC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	116.9270	0.283	3	116.9270	0.080	3	119.5814	10.807	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NOO)(H)	C(C[6a]C[5,6a]2)(CHN)(H)	H(CCN)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[5,6a]2)(CHN)(H)	H(CCN)	118.8420	0.000	1	118.8420	0.000	1	119.5814	10.807	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	H(CCN)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	H(CCN)	123.4800	5.940	2	123.4800	35.280	2	119.5814	10.807	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	121.2617	2.913	21	121.2617	8.484	21	119.5814	10.807	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NSS)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	C(CC[6a]H)(NSS)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	111.9300	0.000	1	111.9300	0.000	1	119.5814	10.807	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(NPtO)(H)	C(C[6a]C[6a]2)(CHN)(O)	H(CCN)	C(CC[6a]O)(NPtO)(H)	C(C[6a]C[6a]2)(CHN)(O)	H(CCN)	117.6400	0.000	1	117.6400	0.000	1	117.6400	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:C-3:Cl-1:	C-3:	C(CClN)(NCoO)(H)	C(NCoO)(CHN)(Cl)	H(CCN)	C(CClN)(NCoO)(H)	C(NCoO)(CHN)(Cl)	H(CCN)	123.0230	0.000	1	123.0230	0.000	1	123.0230	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)(NCC)(H)	C(NC[6a]H)(CHN)(H)	H(CCN)	C(CHN)(NCC)(H)	C(NC[6a]H)(CHN)(H)	H(CCN)	116.7510	0.999	4	116.7510	0.997	4	116.8212	0.773	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:C-3:H-1:	C-3:	C(CHN)(NCH)(H)	C(NC[5]C)(CHN)(H)	H(CCN)	C(CHN)(NCH)(H)	C(NC[5]C)(CHN)(H)	H(CCN)	117.1020	0.000	1	117.1020	0.000	1	116.8212	0.773	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:P-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(PC[6a]2)(H)	C(C[6a]C[6a]2)(CHP)(H)	H(CCP)	C(CC[6a]H)(PC[6a]2)(H)	C(C[6a]C[6a]2)(CHP)(H)	H(CCP)	118.0167	1.533	3	118.0167	2.352	3	117.4416	1.984	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:P-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(PC[6a]C)(H)	C(C[6a]C[6a]2)(CHP)(H)	H(CCP)	C(CC[6a]H)(PC[6a]C)(H)	C(C[6a]C[6a]2)(CHP)(H)	H(CCP)	116.5790	0.868	2	116.5790	0.754	2	117.4416	1.984	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:P-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(CC[6a]O)(PC[6a]2)(H)	C(C[6a]C[6a]2)(CHP)(O)	H(CCP)	C(CC[6a]O)(PC[6a]2)(H)	C(C[6a]C[6a]2)(CHP)(O)	H(CCP)	122.2973	0.419	3	122.2973	0.175	3	122.2973	0.175	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:S-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCH)(SCO)(H)	C(CHS)(COO)(H)	H(CCS)	C(CCH)(SCO)(H)	C(CHS)(COO)(H)	H(CCS)	118.0560	1.288	2	118.0560	1.660	2	118.0560	1.660	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C-3:S-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CHS)(H)	H(CCS)	C(CC[6a]H)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CHS)(H)	H(CCS)	119.6683	1.519	3	119.6683	2.307	3	119.6683	2.307	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[4]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[4]C[4]2)(CCH)(H)	C(CC[6a]H)(CC[4]H)(H)	H(CC[4]C)	C(C[4]C[4]2)(CCH)(H)	C(CC[6a]H)(CC[4]H)(H)	H(CC[4]C)	118.6950	0.000	1	118.6950	0.000	1	118.6950	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[4]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[4]B[4]C[4])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	H(CC[4]C)	C(C[4]B[4]C[4])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	H(CC[4]C)	118.0388	0.255	4	118.0388	0.065	4	118.1362	0.096	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[4]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[4]C[4,6]C[4])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	H(CC[4]C)	C(C[4]C[4,6]C[4])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	H(CC[4]C)	118.5260	0.000	1	118.5260	0.000	1	118.1362	0.096	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5,6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(CCH)(H)	C(CC[5,6]H)(COO)(H)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6])(CCH)(H)	C(CC[5,6]H)(COO)(H)	H(CC[5,6]C)	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5,6]-3:C-3:H-1:	C[5,6]-3:C-3:H-1:	C-3:	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]H)(H)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]H)(H)	H(CC[5,6]C)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]H)(H)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]H)(H)	H(CC[5,6]C)	116.8015	1.527	4	116.8015	2.333	4	116.8015	2.333	4	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5,6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	117.0890	0.000	1	117.0890	0.000	1	117.0890	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[5]C[5]2)(CBrC)(H)	C(CC[5]H)(CCC)(Br)	H(CC[5]C)	C(C[5]C[5]2)(CBrC)(H)	C(CC[5]H)(CCC)(Br)	H(CC[5]C)	115.1080	0.000	1	115.1080	0.000	1	116.4510	3.607	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[5]C[5]2)(CBrC)(H)	C(CC[5]H)(CCH)(Br)	H(CC[5]C)	C(C[5]C[5]2)(CBrC)(H)	C(CC[5]H)(CCH)(Br)	H(CC[5]C)	117.7940	0.000	1	117.7940	0.000	1	116.4510	3.607	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,5a]C[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,5a]C[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	115.3063	1.055	3	115.3063	1.113	3	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,5a]C[5])(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	C(C[5]C[5,5a]C[5])(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	117.2970	0.000	1	117.2970	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	118.0600	0.252	4	118.0600	0.064	4	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5])(CCH)(H)	C(CC[5]H)(CC[6]C)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CCH)(H)	C(CC[5]H)(CC[6]C)(H)	H(CC[5]C)	118.5660	0.000	1	118.5660	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6]N[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]N[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	116.4160	0.000	1	116.4160	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	115.2604	1.678	10	115.2604	2.814	10	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5])(CCH)(H)	C(CC[6a]H)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C(CC[6a]H)(CC[5]H)(H)	H(CC[5]C)	116.4595	0.528	2	116.4595	0.279	2	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]N[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	118.3520	0.000	1	118.3520	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]C)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]C)(CC[5]H)(H)	H(CC[5]C)	115.0132	0.145	4	115.0132	0.021	4	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CBrC)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CBrC)(H)	H(CC[5]C)	116.2590	0.000	1	116.2590	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCC)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCC)(H)	H(CC[5]C)	115.0672	0.396	42	115.0672	0.157	42	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	115.7790	0.978	164	115.7790	0.957	164	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCN)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCN)(H)	H(CC[5]C)	115.4092	0.168	5	115.4092	0.028	5	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	116.7400	0.000	1	116.7400	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCS)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCS)(H)	H(CC[5]C)	114.7452	0.363	8	114.7452	0.132	8	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CClC)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CClC)(H)	H(CC[5]C)	115.9613	0.951	4	115.9613	0.905	4	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CHN)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CHN)(H)	H(CC[5]C)	113.5260	0.000	1	113.5260	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CN[5]C)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CN[5]C)(H)	H(CC[5]C)	114.5170	0.064	2	114.5170	0.004	2	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	117.0327	1.263	3	117.0327	1.595	3	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)2(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)2(H)	H(CC[5]C)	115.6025	2.312	2	115.6025	5.343	2	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5a]C)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5a]C)(CC[5]H)(H)	H(CC[5]C)	117.4410	0.000	1	117.4410	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5a]H)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5a]H)(CC[5]H)(H)	H(CC[5]C)	116.4670	0.000	1	116.4670	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.2967	1.673	3	118.2967	2.798	3	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]H)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]H)(CC[5]H)(H)	H(CC[5]C)	116.2985	1.377	4	116.2985	1.896	4	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]O)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]O)(CC[5]H)(H)	H(CC[5]C)	116.7075	0.541	2	116.7075	0.293	2	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]S)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]S)(CC[5]H)(H)	H(CC[5]C)	114.2790	0.000	1	114.2790	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	114.4326	1.190	166	114.4326	1.417	166	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	117.2820	0.000	1	117.2820	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C(CC[5]H)2(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C(CC[5]H)2(H)	H(CC[5]C)	116.8643	0.299	3	116.8643	0.089	3	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C(CC[5a]H)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C(CC[5a]H)(CC[5]H)(H)	H(CC[5]C)	117.2050	0.000	1	117.2050	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5])(CCH)(H)	C(CC[5]H)(CCC)(H)	H(CC[5]C)	C(C[5]C[5]O[5])(CCH)(H)	C(CC[5]H)(CCC)(H)	H(CC[5]C)	117.5310	0.000	1	117.5310	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]S[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]S[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	116.8635	1.141	4	116.8635	1.301	4	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]N[5]2)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]N[5]2)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	118.9810	3.718	3	118.9810	13.822	3	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]N[5]S[5])(CCH)(H)	C(CC[5]H)(CC[6]H)(H)	H(CC[5]C)	C(C[5]N[5]S[5])(CCH)(H)	C(CC[5]H)(CC[6]H)(H)	H(CC[5]C)	117.5280	0.000	1	117.5280	0.000	1	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]N[5]S[5])(CCH)(H)	C(CC[5]H)2(H)	H(CC[5]C)	C(C[5]N[5]S[5])(CCH)(H)	C(CC[5]H)2(H)	H(CC[5]C)	117.8606	0.300	5	117.8606	0.090	5	115.3239	1.917	457	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(C[5]S[5]2)(CCO)(H)	C(CC[5]H)(CHN)(O)	H(CC[5]C)	C(C[5]S[5]2)(CCO)(H)	C(CC[5]H)(CHN)(O)	H(CC[5]C)	118.5280	0.000	1	118.5280	0.000	1	118.5280	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(C[5]C[5,5]O[5])(CNO)(H)	C(CC[5]H)(NCH)(O)	H(CC[5]C)	C(C[5]C[5,5]O[5])(CNO)(H)	C(CC[5]H)(NCH)(O)	H(CC[5]C)	118.5635	0.036	2	118.5635	0.001	2	118.3837	1.586	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(C[5]C[5]N[5])(CNO)(H)	C(CC[5]H)(NHH)(O)	H(CC[5]C)	C(C[5]C[5]N[5])(CNO)(H)	C(CC[5]H)(NHH)(O)	H(CC[5]C)	118.2938	1.616	4	118.2938	2.610	4	118.3837	1.586	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5])(CC[5]H)(H)	C(C[5]C[5,5]C[5])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5])(CC[5]H)(H)	C(C[5]C[5,5]C[5])(CC[5]H)(H)	H(CC[5]C)	116.8970	0.000	1	116.8970	0.000	1	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5])(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(CC[5]H)(H)	H(CC[5]C)	117.0190	0.000	1	117.0190	0.000	1	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]O[5])(CC[5]H)(H)	C(C[5]C[5,6a]O[5])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6a]O[5])(CC[5]H)(H)	C(C[5]C[5,6a]O[5])(CC[5]H)(H)	H(CC[5]C)	117.9660	0.000	1	117.9660	0.000	1	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CC[5]H)(H)	C(C[5]C[5]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]H)(H)	C(C[5]C[5]2)(CC[5]H)(H)	H(CC[5]C)	116.4268	0.363	13	116.4268	0.132	13	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CC[5]H)(H)	C(C[5]N[5]O[5])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]H)(H)	C(C[5]N[5]O[5])(CC[5]H)(H)	H(CC[5]C)	117.2840	0.000	1	117.2840	0.000	1	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[5]H)(H)	H(CC[5]C)	116.7810	0.000	1	116.7810	0.000	1	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CC[5]H)(H)	C(C[5]Se[5]N[5])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]H)(H)	C(C[5]Se[5]N[5])(CC[5]H)(H)	H(CC[5]C)	116.6140	0.000	1	116.6140	0.000	1	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[5]H)(H)	H(CC[5]C)	115.5094	1.646	7	115.5094	2.710	7	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5])(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]O[5])(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[5]H)(H)	H(CC[5]C)	117.4110	0.000	1	117.4110	0.000	1	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]C[5]S[5])(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[5]H)(H)	H(CC[5]C)	116.0750	2.328	2	116.0750	5.419	2	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]N[5]2)(CC[5]H)(H)	C(C[5]N[5]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]2)(CC[5]H)(H)	C(C[5]N[5]2)(CC[5]H)(H)	H(CC[5]C)	120.1290	1.655	9	120.1290	2.740	9	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]N[5]O[5])(CC[5]H)(H)	C(C[5]C[5]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[5]H)(H)	C(C[5]C[5]2)(CC[5]H)(H)	H(CC[5]C)	119.2360	0.000	1	119.2360	0.000	1	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]N[5]S[5])(CC[5]H)(H)	C(C[5]C[5]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[5]H)(H)	C(C[5]C[5]2)(CC[5]H)(H)	H(CC[5]C)	118.9860	0.000	1	118.9860	0.000	1	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]N[5]S[5])(CC[5]H)(H)	C(C[5]C[5]O[5])(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[5]H)(H)	C(C[5]C[5]O[5])(CC[5]H)(H)	H(CC[5]C)	118.1890	0.000	1	118.1890	0.000	1	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]N[5]S[5])(CC[5]H)(H)	C(C[5]C[5]S[5])(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[5]H)(H)	C(C[5]C[5]S[5])(CC[5]H)(H)	H(CC[5]C)	116.6300	0.344	2	116.6300	0.118	2	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5]Se[5]N[5])(CC[5]H)(H)	C(C[5]C[5]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]Se[5]N[5])(CC[5]H)(H)	C(C[5]C[5]2)(CC[5]H)(H)	H(CC[5]C)	119.4060	0.000	1	119.4060	0.000	1	117.3744	3.874	44	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	H(CC[5]C)	116.7820	0.311	2	116.7820	0.097	2	115.7408	5.113	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[5]H)(H)	H(CC[5]C)	116.7270	0.000	1	116.7270	0.000	1	115.7408	5.113	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	H(CC[5]C)	113.6820	1.109	8	113.6820	1.231	8	115.7408	5.113	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	H(CC[5]C)	116.7230	0.000	1	116.7230	0.000	1	115.7408	5.113	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]N[5]2)(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]2)(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[5]H)(H)	H(CC[5]C)	115.8810	0.000	1	115.8810	0.000	1	115.7408	5.113	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]N[5]2)(CC[5a]H)(H)	C(C[5a]N[5a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]2)(CC[5a]H)(H)	C(C[5a]N[5a]2)(CC[5]H)(H)	H(CC[5]C)	117.8923	2.120	3	117.8923	4.496	3	115.7408	5.113	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]N[5]S[5])(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	H(CC[5]C)	118.6530	0.571	2	118.6530	0.326	2	115.7408	5.113	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(C[5]C[5,6a]N[5])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(O)	H(CC[5]C)	118.8440	0.000	1	118.8440	0.000	1	118.5385	0.187	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(C[5]C[5]S[5])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(O)	H(CC[5]C)	118.2330	0.000	1	118.2330	0.000	1	118.5385	0.187	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	H(CC[5]C)	116.3970	0.000	1	116.3970	0.000	1	117.0868	1.138	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	H(CC[5]C)	116.7110	0.000	1	116.7110	0.000	1	117.0868	1.138	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	H(CC[5]C)	115.8045	0.917	2	115.8045	0.841	2	117.0868	1.138	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	116.3417	0.625	3	116.3417	0.391	3	117.0868	1.138	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	H(CC[5]C)	117.8240	0.000	1	117.8240	0.000	1	117.0868	1.138	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	117.1468	0.748	19	117.1468	0.560	19	117.0868	1.138	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5]C[5]S[5])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	117.3420	0.000	1	117.3420	0.000	1	117.0868	1.138	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5]N[5]S[5])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	120.8180	0.000	1	120.8180	0.000	1	117.0868	1.138	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,5,6]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,5,6]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.5760	0.000	1	117.5760	0.000	1	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5]H)(H)	H(CC[5]C)	117.1900	0.000	1	117.1900	0.000	1	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.0386	1.073	16	118.0386	1.150	16	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	H(CC[5]C)	118.6740	0.275	3	118.6740	0.076	3	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.4414	1.274	41	118.4414	1.622	41	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.1450	0.000	1	117.1450	0.000	1	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]P[5])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]P[5])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	H(CC[5]C)	118.1650	0.000	1	118.1650	0.000	1	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]P[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]P[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.1540	0.218	2	117.1540	0.047	2	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]S[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.3170	0.000	1	118.3170	0.000	1	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]N[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.2020	0.744	2	117.2020	0.553	2	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]N[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.8033	0.147	3	117.8033	0.022	3	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]N[5]S[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	119.7770	1.862	13	119.7770	3.468	13	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]Se[5]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]Se[5]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.0270	0.000	1	117.0270	0.000	1	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]Se[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]Se[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	119.2246	0.596	5	119.2246	0.355	5	118.4781	1.873	91	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[5]C[5,6]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	116.9260	0.000	1	116.9260	0.000	1	117.9631	3.164	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[5]C[5,6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5,6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	114.7810	0.000	1	114.7810	0.000	1	117.9631	3.164	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	116.2866	0.648	12	116.2866	0.420	12	117.9631	3.164	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[5]C[5,6a]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	116.8460	0.000	1	116.8460	0.000	1	117.9631	3.164	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	116.8690	0.000	1	116.8690	0.000	1	117.9631	3.164	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	117.8812	1.444	5	117.8812	2.086	5	117.9631	3.164	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[5]C[5]S[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	120.1215	2.399	4	120.1215	5.756	4	117.9631	3.164	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[5]N[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]N[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	119.0955	0.638	4	119.0955	0.407	4	117.9631	3.164	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[5]N[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	118.7353	1.325	6	118.7353	1.756	6	117.9631	3.164	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[5]N[5]S[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	H(CC[5]C)	119.1085	1.028	8	119.1085	1.058	8	117.9631	3.164	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(C[5]N[5]S[5])(CHN)(H)	C(NC[6a]H)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]S[5])(CHN)(H)	C(NC[6a]H)(CC[5]H)(H)	H(CC[5]C)	118.1720	0.000	1	118.1720	0.000	1	118.1720	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	N-3:C-3:O-1:	C-3:	C(C[5]N[5]S[5])(CNO)(H)	C(NC[6a]H)(CC[5]H)(O)	H(CC[5]C)	C(C[5]N[5]S[5])(CNO)(H)	C(NC[6a]H)(CC[5]H)(O)	H(CC[5]C)	119.1530	0.000	1	119.1530	0.000	1	119.1530	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:	C(C[5]C[5,6a]N[5])(CN[6]O)(H)	C(N[6]C[6]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CN[6]O)(H)	C(N[6]C[6]2)(CC[5]H)(O)	H(CC[5]C)	119.3380	0.000	1	119.3380	0.000	1	119.4320	0.018	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:	C(C[5]N[5]S[5])(CN[6]O)(H)	C(N[6]C[6]2)(CC[5]H)(O)	H(CC[5]C)	C(C[5]N[5]S[5])(CN[6]O)(H)	C(N[6]C[6]2)(CC[5]H)(O)	H(CC[5]C)	119.5260	0.000	1	119.5260	0.000	1	119.4320	0.018	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CBrC)(H)	C(CC[5a]H)(COO)(Br)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CBrC)(H)	C(CC[5a]H)(COO)(Br)	H(CC[5a]C)	114.4920	0.000	1	114.4920	0.000	1	114.3675	0.031	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[5a]C[5a]N[5a])(CBrC)(H)	C(CC[5a]H)(COO)(Br)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CBrC)(H)	C(CC[5a]H)(COO)(Br)	H(CC[5a]C)	114.2430	0.000	1	114.2430	0.000	1	114.3675	0.031	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(C[5a]C[5a]O[5a])(CClC)(H)	C(CC[5a]H)(CC[6a]O)(Cl)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CClC)(H)	C(CC[5a]H)(CC[6a]O)(Cl)	H(CC[5a]C)	115.9715	1.279	2	115.9715	1.636	2	115.9715	1.636	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CCC)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CCC)(H)	H(CC[5a]C)	114.3280	0.000	1	114.3280	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	114.9520	0.000	1	114.9520	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CCO)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CCO)(H)	H(CC[5a]C)	117.0930	0.000	1	117.0930	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CHN)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CHN)(H)	H(CC[5a]C)	115.1350	0.000	1	115.1350	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	116.1767	0.661	3	116.1767	0.436	3	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]N[5a,5a])(CCH)(H)	C(CC[5a]H)2(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]N[5a,5a])(CCH)(H)	C(CC[5a]H)2(H)	H(CC[5a]C)	116.1275	0.340	2	116.1275	0.116	2	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	116.5535	0.561	2	116.5535	0.314	2	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CCO)(H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CCO)(H)	H(CC[5a]C)	116.2167	0.618	3	116.2167	0.382	3	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CC[6a]O)(H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CC[6a]O)(H)	H(CC[5a]C)	116.4411	0.619	20	116.4411	0.384	20	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CHO)(H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CHO)(H)	H(CC[5a]C)	117.2540	0.000	1	117.2540	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	116.1942	1.330	4	116.1942	1.769	4	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]C)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]C)(CC[5a]H)(H)	H(CC[5a]C)	119.9720	1.322	2	119.9720	1.748	2	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	114.7736	1.388	41	114.7736	1.925	41	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CCO)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CCO)(H)	H(CC[5a]C)	119.6705	1.835	2	119.6705	3.367	2	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CC[5a]O)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CC[5a]O)(H)	H(CC[5a]C)	116.8260	0.000	1	116.8260	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]H)(H)	H(CC[5a]C)	114.5890	0.000	1	114.5890	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]O)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]O)(H)	H(CC[5a]C)	116.8145	0.213	2	116.8145	0.045	2	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CCuC)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CCuC)(H)	H(CC[5a]C)	115.8170	0.000	1	115.8170	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CHN)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CHN)(H)	H(CC[5a]C)	114.7450	1.822	3	114.7450	3.319	3	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CHO)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CHO)(H)	H(CC[5a]C)	117.2130	0.000	1	117.2130	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	116.4436	1.979	7	116.4436	3.916	7	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)2(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)2(H)	H(CC[5a]C)	117.3435	0.124	4	117.3435	0.015	4	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	115.6567	0.173	7	115.6567	0.030	7	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CCN)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CCN)(H)	H(CC[5a]C)	117.3727	0.747	3	117.3727	0.559	3	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CCO)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CCO)(H)	H(CC[5a]C)	116.9095	1.356	6	116.9095	1.838	6	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CC[5]O)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CC[5]O)(H)	H(CC[5a]C)	116.3710	0.000	1	116.3710	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CC[5a]O)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CC[5a]O)(H)	H(CC[5a]C)	119.0700	0.389	2	119.0700	0.151	2	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]N)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]N)(H)	H(CC[5a]C)	116.8470	0.000	1	116.8470	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]O)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]O)(H)	H(CC[5a]C)	116.7592	0.473	11	116.7592	0.224	11	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CNO)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CNO)(H)	H(CC[5a]C)	116.8743	0.278	4	116.8743	0.077	4	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CN[5]O)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(CN[5]O)(H)	H(CC[5a]C)	117.2510	0.000	1	117.2510	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	116.8558	0.930	6	116.8558	0.865	6	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	115.9920	0.000	1	115.9920	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CCO)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CCO)(H)	H(CC[5a]C)	116.6755	0.523	2	116.6755	0.273	2	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CC[5]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CC[5]H)(H)	H(CC[5a]C)	116.0390	0.000	1	116.0390	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CC[5]O)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CC[5]O)(H)	H(CC[5a]C)	116.9460	0.000	1	116.9460	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CC[6]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CC[6]H)(H)	H(CC[5a]C)	117.0110	0.000	1	117.0110	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]H)(H)	H(CC[5a]C)	117.5670	0.000	1	117.5670	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]O)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]O)(H)	H(CC[5a]C)	116.4199	0.601	24	116.4199	0.361	24	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CHO)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CHO)(H)	H(CC[5a]C)	113.9670	0.000	1	113.9670	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	118.1220	0.000	1	118.1220	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]N[5a,6]C[5a])(CCH)(H)	C(CC[5a]H)(CHO)(H)	H(CC[5a]C)	C(C[5a]N[5a,6]C[5a])(CCH)(H)	C(CC[5a]H)(CHO)(H)	H(CC[5a]C)	118.5390	0.000	1	118.5390	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	116.7830	0.215	2	116.7830	0.046	2	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]O)(H)	H(CC[5a]C)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CC[6a]O)(H)	H(CC[5a]C)	113.9670	0.000	2	113.9670	0.000	2	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	116.1220	0.000	1	116.1220	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]N[5a]2)(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	C(C[5a]N[5a]2)(CCH)(H)	C(CC[5a]H)(CCH)(H)	H(CC[5a]C)	116.3480	0.161	2	116.3480	0.026	2	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]N[5a]2)(CCH)(H)	C(CC[5a]H)(CC[5]H)(H)	H(CC[5a]C)	C(C[5a]N[5a]2)(CCH)(H)	C(CC[5a]H)(CC[5]H)(H)	H(CC[5a]C)	117.9850	0.000	1	117.9850	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]N[5a]2)(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	C(C[5a]N[5a]2)(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	116.3650	0.000	1	116.3650	0.000	1	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5a]N[5a]O[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	C(C[5a]N[5a]O[5a])(CCH)(H)	C(CC[5a]H)(COO)(H)	H(CC[5a]C)	122.8150	1.158	2	122.8150	1.342	2	116.2480	2.483	191	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CHN)(H)	C(CC[5a]H)(NOO)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CHN)(H)	C(CC[5a]H)(NOO)(H)	H(CC[5a]C)	116.3390	0.000	1	116.3390	0.000	1	118.3434	6.398	16	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[5a]C[5a]2)(CHN)(H)	C(CC[5a]H)(NCH)(H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CHN)(H)	C(CC[5a]H)(NCH)(H)	H(CC[5a]C)	116.8100	0.000	1	116.8100	0.000	1	118.3434	6.398	16	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CHN)(H)	C(CC[5a]H)(NCC)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CHN)(H)	C(CC[5a]H)(NCC)(H)	H(CC[5a]C)	120.9335	1.669	2	120.9335	2.787	2	118.3434	6.398	16	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CHN)(H)	C(CC[5a]H)(NOO)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CHN)(H)	C(CC[5a]H)(NOO)(H)	H(CC[5a]C)	118.8100	0.000	1	118.8100	0.000	1	118.3434	6.398	16	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CHN)(H)	C(CC[5a]H)(NCC)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CHN)(H)	C(CC[5a]H)(NCC)(H)	H(CC[5a]C)	123.1435	1.155	2	123.1435	1.333	2	118.3434	6.398	16	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CHN)(H)	C(CC[5a]H)(NOO)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CHN)(H)	C(CC[5a]H)(NOO)(H)	H(CC[5a]C)	116.9553	0.384	7	116.9553	0.148	7	118.3434	6.398	16	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[5a]N[5a,6]C[5a])(CHN)(H)	C(CC[5a]H)(NCC)(H)	H(CC[5a]C)	C(C[5a]N[5a,6]C[5a])(CHN)(H)	C(CC[5a]H)(NCC)(H)	H(CC[5a]C)	117.3470	3.066	2	117.3470	9.400	2	118.3434	6.398	16	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:N-3:S-1:	C-3:	C(C[5a]N[5a]S[5a])(CNS)(H)	C(CC[5a]H)(NC[6a]H)(S)	H(CC[5a]C)	C(C[5a]N[5a]S[5a])(CNS)(H)	C(CC[5a]H)(NC[6a]H)(S)	H(CC[5a]C)	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[5a]H)(H)	H(CC[5a]C)	116.2910	0.000	1	116.2910	0.000	1	116.0207	6.116	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[5]H)(H)	C(C[5]N[5]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[5]H)(H)	C(C[5]N[5]2)(CC[5a]H)(H)	H(CC[5a]C)	118.0610	0.000	1	118.0610	0.000	1	116.0207	6.116	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[5a]H)(H)	H(CC[5a]C)	113.8130	1.174	8	113.8130	1.379	8	116.0207	6.116	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	C(C[5]C[5]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	C(C[5]C[5]2)(CC[5a]H)(H)	H(CC[5a]C)	117.6235	0.303	2	117.6235	0.092	2	116.0207	6.116	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[5a]H)(H)	H(CC[5a]C)	116.9830	0.000	1	116.9830	0.000	1	116.0207	6.116	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[5a]H)(H)	H(CC[5a]C)	115.9595	0.636	2	115.9595	0.404	2	116.0207	6.116	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[5a]N[5a]2)(CC[5]H)(H)	C(C[5]N[5]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a]2)(CC[5]H)(H)	C(C[5]N[5]2)(CC[5a]H)(H)	H(CC[5a]C)	119.7893	0.981	3	119.7893	0.962	3	116.0207	6.116	18	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[5a]H)(H)	H(CC[5a]C)	118.5730	1.287	2	118.5730	1.656	2	115.0480	6.179	121	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]N[5a])(CC[5a]H)(H)	C(C[5a]C[5a,6a]N[5a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]N[5a])(CC[5a]H)(H)	C(C[5a]C[5a,6a]N[5a])(CC[5a]H)(H)	H(CC[5a]C)	116.5700	0.000	1	116.5700	0.000	1	115.0480	6.179	121	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]2)(CC[5a]H)(H)	C(C[5a]C[5a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CC[5a]H)(H)	C(C[5a]C[5a]2)(CC[5a]H)(H)	H(CC[5a]C)	119.0070	0.000	1	119.0070	0.000	1	115.0480	6.179	121	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[5a]H)(H)	H(CC[5a]C)	113.6441	1.408	46	113.6441	1.982	46	115.0480	6.179	121	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[5a]H)(H)	H(CC[5a]C)	117.7959	2.516	8	117.7959	6.330	8	115.0480	6.179	121	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[5a]H)(H)	H(CC[5a]C)	114.9390	2.151	53	114.9390	4.627	53	115.0480	6.179	121	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a,6]C[5a])(CC[5a]H)(H)	C(C[5a]N[5a,6]C[5a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a,6]C[5a])(CC[5a]H)(H)	C(C[5a]N[5a,6]C[5a])(CC[5a]H)(H)	H(CC[5a]C)	118.2290	0.000	1	118.2290	0.000	1	115.0480	6.179	121	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a,6]C[5a])(CC[5a]H)(H)	C(C[5a]N[5a]S[5a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a,6]C[5a])(CC[5a]H)(H)	C(C[5a]N[5a]S[5a])(CC[5a]H)(H)	H(CC[5a]C)	114.9930	0.000	1	114.9930	0.000	1	115.0480	6.179	121	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a,6a]C[5a])(CC[5a]H)(H)	C(C[5a]N[5a,6a]C[5a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a,6a]C[5a])(CC[5a]H)(H)	C(C[5a]N[5a,6a]C[5a])(CC[5a]H)(H)	H(CC[5a]C)	115.8850	0.000	1	115.8850	0.000	1	115.0480	6.179	121	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a]2)(CC[5a]H)(H)	C(C[5a]N[5a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a]2)(CC[5a]H)(H)	C(C[5a]N[5a]2)(CC[5a]H)(H)	H(CC[5a]C)	119.6860	1.725	6	119.6860	2.977	6	115.0480	6.179	121	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a]S[5a])(CC[5a]H)(H)	C(C[5a]N[5a,6]C[5a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a]S[5a])(CC[5a]H)(H)	C(C[5a]N[5a,6]C[5a])(CC[5a]H)(H)	H(CC[5a]C)	119.1000	0.000	1	119.1000	0.000	1	115.0480	6.179	121	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(C[5a]N[5a]S[5a])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CC[5a]H)(O)	H(CC[5a]C)	C(C[5a]N[5a]S[5a])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CC[5a]H)(O)	H(CC[5a]C)	121.0900	0.000	1	121.0900	0.000	1	121.0900	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,5a]C[5a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,5a]C[5a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	H(CC[5a]C)	117.0040	0.000	1	117.0040	0.000	1	116.6312	0.245	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[5a]H)(H)	H(CC[5a]C)	116.4100	0.000	1	116.4100	0.000	1	116.6312	0.245	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	H(CC[5a]C)	116.7540	0.336	6	116.7540	0.113	6	116.6312	0.245	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[5a]H)(H)	H(CC[5a]C)	116.4995	0.013	2	116.4995	0.000	2	116.6312	0.245	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	C(C[6]C[6]O[6])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	C(C[6]C[6]O[6])(CC[5a]H)(H)	H(CC[5a]C)	115.8720	0.037	2	115.8720	0.001	2	116.6312	0.245	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	H(CC[5a]C)	116.5270	0.000	1	116.5270	0.000	1	116.6312	0.245	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	C(C[6]C[6]O[6])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	C(C[6]C[6]O[6])(CC[5a]H)(H)	H(CC[5a]C)	116.2540	0.068	2	116.2540	0.005	2	116.6312	0.245	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	H(CC[5a]C)	116.5440	0.475	7	116.5440	0.226	7	116.6312	0.245	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[5a]H)(H)	H(CC[5a]C)	117.4187	0.381	3	117.4187	0.145	3	116.6312	0.245	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	114.7800	0.000	1	114.7800	0.000	1	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	117.3043	1.962	7	117.3043	3.848	7	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[5a]H)(H)	H(CC[5a]C)	117.2795	0.606	2	117.2795	0.367	2	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	H(CC[5a]C)	116.2480	0.000	1	116.2480	0.000	1	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	117.6510	0.904	4	117.6510	0.817	4	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	118.0982	0.969	29	118.0982	0.939	29	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	117.3289	0.593	17	117.3289	0.351	17	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	H(CC[5a]C)	116.4545	0.378	2	116.4545	0.143	2	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	117.5622	1.469	30	117.5622	2.158	30	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]N[6a]O[6a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]N[6a]O[6a])(CC[5a]H)(H)	H(CC[5a]C)	118.3740	0.000	1	118.3740	0.000	1	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	118.0057	1.006	18	118.0057	1.012	18	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	118.1660	0.000	1	118.1660	0.000	1	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a,6a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a,6a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	118.7870	0.000	1	118.7870	0.000	1	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	119.0394	1.300	12	119.0394	1.690	12	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	H(CC[5a]C)	117.4910	0.000	1	117.4910	0.000	1	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5a]H)(H)	H(CC[5a]C)	118.0855	0.340	2	118.0855	0.116	2	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	118.5019	1.220	12	118.5019	1.488	12	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	H(CC[5a]C)	117.8220	0.000	1	117.8220	0.000	1	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	H(CC[5a]C)	116.8711	1.111	7	116.8711	1.234	7	117.8258	1.612	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(O)	H(CC[5a]C)	C(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(O)	H(CC[5a]C)	119.2880	1.399	2	119.2880	1.956	2	119.2880	1.956	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C(CC[6,6]H)(CC[6a]H)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C(CC[6,6]H)(CC[6a]H)(H)	H(CC[6,6]C)	116.6880	0.000	1	116.6880	0.000	1	116.4449	0.511	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C(CC[6,6]H)(COO)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C(CC[6,6]H)(COO)(H)	H(CC[6,6]C)	116.3440	0.000	1	116.3440	0.000	1	116.4449	0.511	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	C(CC[6,6]H)(CHH)(H)	H(CC[6,6]C)	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	C(CC[6,6]H)(CHH)(H)	H(CC[6,6]C)	115.3550	0.000	1	115.3550	0.000	1	116.4449	0.511	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C(CC[6,6]H)(COO)(H)	H(CC[6,6]C)	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C(CC[6,6]H)(COO)(H)	H(CC[6,6]C)	116.1455	0.542	2	116.1455	0.294	2	116.4449	0.511	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6,6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6,6]C[5,6,6]C[3x6])(CCH)(H)	C(CC[6,6]H)(CC[5]C)(H)	H(CC[6,6]C)	C(C[6,6]C[5,6,6]C[3x6])(CCH)(H)	C(CC[6,6]H)(CC[5]C)(H)	H(CC[6,6]C)	117.2180	0.371	2	117.2180	0.137	2	116.4449	0.511	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6])(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	114.1370	0.000	1	114.1370	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	115.1590	0.000	1	115.1590	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[5a,6]C[6])(CCH)(H)	C(CC[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5a,6]C[6])(CCH)(H)	C(CC[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.1665	0.149	2	117.1665	0.022	2	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[5a,6]C[6])(CCH)(H)	C(CC[6a]C)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5a,6]C[6])(CCH)(H)	C(CC[6a]C)(CC[6]H)(H)	H(CC[6]C)	115.7560	0.000	1	115.7560	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	116.8720	0.000	1	116.8720	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6])(CCH)(H)	C(CC[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(CC[6a]2)(CC[6]H)(H)	H(CC[6]C)	116.8335	0.305	2	116.8335	0.093	2	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6])(CCH)(H)	C(CC[6a]C)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(CC[6a]C)(CC[6]H)(H)	H(CC[6]C)	115.3230	0.000	1	115.3230	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6])(CCH)(H)	C(CC[6a]H)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(CC[6a]H)(CC[6]H)(H)	H(CC[6]C)	114.5480	0.000	1	114.5480	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]N[6])(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	C(C[6]C[6,6a]N[6])(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	114.2240	0.000	1	114.2240	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]O[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]O[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	119.2020	0.253	2	119.2020	0.064	2	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[5a]H)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[5a]H)(CC[6]H)(H)	H(CC[6]C)	114.9150	0.000	1	114.9150	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	117.3900	0.561	6	117.3900	0.315	6	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	117.4147	1.685	9	117.4147	2.839	9	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	115.3430	0.000	1	115.3430	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CHH)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CHH)(H)	H(CC[6]C)	116.5150	0.000	1	116.5150	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	116.7744	0.530	13	116.7744	0.281	13	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.3000	0.000	1	117.3000	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6a]H)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6a]H)(CC[6]H)(H)	H(CC[6]C)	115.7586	1.677	16	115.7586	2.812	16	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6a]O)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6a]O)(CC[6]H)(H)	H(CC[6]C)	114.7400	0.000	1	114.7400	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6])(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	117.1840	0.000	1	117.1840	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	118.0697	0.602	4	118.0697	0.362	4	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6])(CCH)(H)	C(CC[6a]O)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CCH)(H)	C(CC[6a]O)(CC[6]H)(H)	H(CC[6]C)	117.2890	0.000	1	117.2890	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C(CC[5]H)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C(CC[5]H)(CC[6]H)(H)	H(CC[6]C)	116.9150	0.000	1	116.9150	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	117.8376	0.521	5	117.8376	0.272	5	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	116.8440	0.042	2	116.8440	0.002	2	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6]H)(CHN)(H)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6]H)(CHN)(H)	H(CC[6]C)	116.4227	0.660	4	116.4227	0.436	4	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]N[6,6]C[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]N[6,6]C[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	118.4190	0.000	1	118.4190	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]N[6]O[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]N[6]O[6])(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	117.4080	0.000	1	117.4080	0.000	1	116.7143	1.955	82	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(C[6]C[5,6]C[6])(CCO)(H)	C(CC[6]H)(CCH)(O)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCO)(H)	C(CC[6]H)(CCH)(O)	H(CC[6]C)	115.1381	0.370	8	115.1381	0.137	8	115.4677	3.369	12	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(C[6]C[6]2)(CCO)(H)	C(CC[6]H)(CCH)(O)	H(CC[6]C)	C(C[6]C[6]2)(CCO)(H)	C(CC[6]H)(CCH)(O)	H(CC[6]C)	113.2390	0.000	2	113.2390	0.000	2	115.4677	3.369	12	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:C-3:O-1:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(COO)(O)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(COO)(O)	H(CC[6]C)	119.0145	0.377	2	119.0145	0.142	2	115.4677	3.369	12	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6]C[5a,6]2)(CHN)(H)	C(CC[6]H)(NCC)(H)	H(CC[6]C)	C(C[6]C[5a,6]2)(CHN)(H)	C(CC[6]H)(NCC)(H)	H(CC[6]C)	118.3172	0.610	5	118.3172	0.371	5	117.8813	1.115	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6]C[6]2)(CHN)(H)	C(CC[6]H)(NCC)(H)	H(CC[6]C)	C(C[6]C[6]2)(CHN)(H)	C(CC[6]H)(NCC)(H)	H(CC[6]C)	117.7600	0.000	1	117.7600	0.000	1	117.8813	1.115	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6]C[6]N[6])(CHN)(H)	C(CC[6]H)(NRuO)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CHN)(H)	C(CC[6]H)(NRuO)(H)	H(CC[6]C)	115.8230	0.000	1	115.8230	0.000	1	117.8813	1.115	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(C[6]C[6,6a]C[6])(CNO)(H)	C(CC[6]H)(NCC)(O)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CNO)(H)	C(CC[6]H)(NCC)(O)	H(CC[6]C)	117.2290	0.000	1	117.2290	0.000	1	116.8850	0.120	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(C[6]C[6]2)(CNO)(H)	C(CC[6]H)(NHH)(O)	H(CC[6]C)	C(C[6]C[6]2)(CNO)(H)	C(CC[6]H)(NHH)(O)	H(CC[6]C)	116.5360	0.000	1	116.5360	0.000	1	116.8850	0.120	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(C[6]C[6]O[6])(CNO)(H)	C(CC[6]H)(NCC)(O)	H(CC[6]C)	C(C[6]C[6]O[6])(CNO)(H)	C(CC[6]H)(NCC)(O)	H(CC[6]C)	116.8900	0.000	1	116.8900	0.000	1	116.8850	0.120	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	H(CC[6]C)	117.5460	0.000	1	117.5460	0.000	1	117.4202	2.229	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[6]H)(H)	H(CC[6]C)	116.1570	0.000	1	116.1570	0.000	1	117.4202	2.229	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	H(CC[6]C)	117.6430	0.000	1	117.6430	0.000	1	117.4202	2.229	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	C(C[5]C[5]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]S[6])(CC[5]H)(H)	C(C[5]C[5]2)(CC[6]H)(H)	H(CC[6]C)	117.6285	0.999	2	117.6285	0.998	2	117.4202	2.229	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]C[5]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]C[5]2)(CC[6]H)(H)	H(CC[6]C)	117.5153	0.327	3	117.5153	0.107	3	117.4202	2.229	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[6]H)(H)	H(CC[6]C)	117.0649	0.739	19	117.0649	0.546	19	117.4202	2.229	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]C[5]S[5])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]C[5]S[5])(CC[6]H)(H)	H(CC[6]C)	117.5140	0.000	1	117.5140	0.000	1	117.4202	2.229	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[6]H)(H)	H(CC[6]C)	124.2890	0.000	1	124.2890	0.000	1	117.4202	2.229	29	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:	C(C[6]C[6,6a]N[6])(CC[5]O)(H)	C(C[5]C[5]2)(CC[6]H)(O)	H(CC[6]C)	C(C[6]C[6,6a]N[6])(CC[5]O)(H)	C(C[5]C[5]2)(CC[6]H)(O)	H(CC[6]C)	116.7190	0.000	1	116.7190	0.000	1	116.7190	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6])(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	H(CC[6]C)	118.4420	0.000	1	118.4420	0.000	1	117.8096	0.426	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[5a]H)(H)	C(C[5a]C[5a,5a]C[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[5a]H)(H)	C(C[5a]C[5a,5a]C[5a])(CC[6]H)(H)	H(CC[6]C)	117.2020	0.000	1	117.2020	0.000	1	117.8096	0.426	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	H(CC[6]C)	117.5787	0.588	6	117.5787	0.346	6	117.8096	0.426	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	H(CC[6]C)	116.9210	0.000	1	116.9210	0.000	1	117.8096	0.426	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	H(CC[6]C)	117.7369	0.385	7	117.7369	0.149	7	117.8096	0.426	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6])(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	H(CC[6]C)	118.4365	0.049	2	118.4365	0.002	2	117.8096	0.426	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6])(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	H(CC[6]C)	117.4810	0.845	3	117.4810	0.715	3	117.8096	0.426	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6])(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]O[6])(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6]H)(H)	H(CC[6]C)	117.8075	0.173	2	117.8075	0.030	2	117.8096	0.426	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6])(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]O[6])(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	H(CC[6]C)	119.0570	0.072	2	119.0570	0.005	2	117.8096	0.426	25	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6])(CC[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CC[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	H(CC[6]C)	116.7986	0.507	9	116.7986	0.257	9	117.7491	2.442	190	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C(C[6]C[5,6]C[6])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C(C[6]C[5,6]C[6])(CC[6]H)(H)	H(CC[6]C)	116.4000	0.395	9	116.4000	0.156	9	117.7491	2.442	190	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	H(CC[6]C)	117.7961	1.507	160	117.7961	2.272	160	117.7491	2.442	190	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[6]H)(H)	H(CC[6]C)	117.4493	0.202	3	117.4493	0.041	3	117.7491	2.442	190	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6])(CC[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	H(CC[6]C)	118.2997	0.075	3	118.2997	0.006	3	117.7491	2.442	190	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6])(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[6]H)(H)	H(CC[6]C)	119.8220	3.004	6	119.8220	9.025	6	117.7491	2.442	190	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:Br-1:	C-3:	C(C[6]C[6]N[6])(CC[6a]Br)(H)	C(C[6a]C[6a]2)(CC[6]H)(Br)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]Br)(H)	C(C[6a]C[6a]2)(CC[6]H)(Br)	H(CC[6]C)	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.8942	0.839	5	117.8942	0.703	5	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	118.1052	0.818	4	118.1052	0.669	4	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	H(CC[6]C)	118.8830	0.000	1	118.8830	0.000	1	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	119.6063	0.307	3	119.6063	0.094	3	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	H(CC[6]C)	117.1504	0.330	5	117.1504	0.109	5	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	H(CC[6]C)	117.4449	0.537	7	117.4449	0.289	7	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.3691	1.154	274	117.3691	1.332	274	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	H(CC[6]C)	116.7012	0.614	9	116.7012	0.377	9	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	H(CC[6]C)	117.1860	0.000	1	117.1860	0.000	1	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.9635	0.933	82	117.9635	0.871	82	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	H(CC[6]C)	116.1475	2.873	2	116.1475	8.254	2	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.5890	0.646	8	117.5890	0.418	8	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	118.4665	0.418	2	118.4665	0.175	2	117.5113	1.263	403	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[6]C[6,6a]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	C(C[6]C[6,6a]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	114.0473	1.055	3	114.0473	1.114	3	117.9412	3.200	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[6]C[6,6a]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	C(C[6]C[6,6a]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	117.8700	0.000	1	117.8700	0.000	1	117.9412	3.200	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	118.8624	1.022	13	118.8624	1.044	13	117.9412	3.200	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[6]C[6]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	C(C[6]C[6]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	117.7100	0.791	4	117.7100	0.625	4	117.9412	3.200	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[6]N[5a,6]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	C(C[6]N[5a,6]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	118.0705	0.006	2	118.0705	0.000	2	117.9412	3.200	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(C[6]N[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	C(C[6]N[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	H(CC[6]C)	118.3850	0.000	1	118.3850	0.000	1	117.9412	3.200	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N[6]-3:C-3:H-1:	C-3:	C(C[6]C[5a,6]2)(CN[6]H)(H)	C(N[6]C[6]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5a,6]2)(CN[6]H)(H)	C(N[6]C[6]2)(CC[6]H)(H)	H(CC[6]C)	116.6550	0.000	2	116.6550	0.000	2	116.6550	0.000	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	P-3:C-3:H-1:	C-3:	C(C[6]C[6]2)(CHP)(H)	C(PC[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CHP)(H)	C(PC[6a]2)(CC[6]H)(H)	H(CC[6]C)	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	B[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CB[5a]H)(H)	C(B[5a]O[5a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[5a]H)(H)	C(B[5a]O[5a]2)(CC[6a]H)(H)	H(CC[6a]C)	116.3650	0.274	2	116.3650	0.075	2	116.3650	0.075	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	B[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CB[6a]H)(H)	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[6a]H)(H)	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	117.4120	0.000	1	117.4120	0.000	1	116.9180	0.488	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	B[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CB[6a]H)(H)	C(B[6a]N[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[6a]H)(H)	C(B[6a]N[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	116.4240	0.000	1	116.4240	0.000	1	116.9180	0.488	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[5a]O)(CC[6a]H)(Br)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[5a]O)(CC[6a]H)(Br)	H(CC[6a]C)	112.2720	0.000	1	112.2720	0.000	1	113.3236	1.060	15	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(CCH)(Br)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(CCH)(Br)	H(CC[6a]C)	113.0473	1.317	3	113.0473	1.734	3	113.3236	1.060	15	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(CCO)(Br)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(CCO)(Br)	H(CC[6a]C)	113.8840	0.000	1	113.8840	0.000	1	113.3236	1.060	15	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(CC[6a]O)(Br)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(CC[6a]O)(Br)	H(CC[6a]C)	113.5832	1.124	8	113.5832	1.263	8	113.3236	1.060	15	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(CN[5]O)(Br)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(CN[5]O)(Br)	H(CC[6a]C)	113.1060	0.000	1	113.1060	0.000	1	113.3236	1.060	15	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(COO)(Br)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(COO)(Br)	H(CC[6a]C)	112.7840	0.000	1	112.7840	0.000	1	113.3236	1.060	15	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]H)(CC[6a]O)(Cl)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]H)(CC[6a]O)(Cl)	H(CC[6a]C)	114.2003	2.422	3	114.2003	5.868	3	114.3238	4.022	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]H)(COO)(Cl)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]H)(COO)(Cl)	H(CC[6a]C)	114.5090	2.059	2	114.5090	4.240	2	114.3238	4.022	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CCO)(H)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CCO)(H)	H(CC[6a]C)	116.1210	0.000	1	116.1210	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	116.5734	0.687	7	116.5734	0.471	7	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	116.6150	0.000	1	116.6150	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6,6a]C[6a])(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	117.3100	0.000	1	117.3100	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	H(CC[6a]C)	117.6292	0.682	4	117.6292	0.466	4	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CC[6a]C)	114.8620	0.000	1	114.8620	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[6a]H)(CCO)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[6a]H)(CCO)(H)	H(CC[6a]C)	116.3230	1.017	2	116.3230	1.034	2	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]O)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]O)(H)	H(CC[6a]C)	116.7301	0.940	17	116.7301	0.883	17	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	117.3563	0.401	4	117.3563	0.161	4	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CC[6a]C)	117.0667	0.743	7	117.0667	0.552	7	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CC[6a]O)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CC[6a]O)(H)	H(CC[6a]C)	115.7953	0.869	9	115.7953	0.755	9	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	117.1868	1.010	8	117.1868	1.019	8	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[3x6]C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[3x6]C)(CC[6a]H)(H)	H(CC[6a]C)	116.2475	0.013	2	116.2475	0.000	2	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[3x6]O)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[3x6]O)(CC[6a]H)(H)	H(CC[6a]C)	115.3120	0.000	1	115.3120	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5,6]O)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5,6]O)(CC[6a]H)(H)	H(CC[6a]C)	115.7580	0.000	1	115.7580	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]2)(CC[6a]H)(H)	H(CC[6a]C)	117.3520	0.000	1	117.3520	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]H)(CC[6a]H)(H)	H(CC[6a]C)	117.3310	1.086	2	117.3310	1.180	2	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	H(CC[6a]C)	116.3601	0.700	93	116.3601	0.490	93	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6,6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6,6]H)(CC[6a]H)(H)	H(CC[6a]C)	116.6550	0.000	1	116.6550	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(CC[6a]H)(H)	H(CC[6a]C)	116.8345	0.443	13	116.8345	0.196	13	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C[5])(CC[6a]H)(H)	H(CC[6a]C)	117.0407	0.477	6	117.0407	0.227	6	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CBrC)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CBrC)(H)	H(CC[6a]C)	116.8055	0.479	4	116.8055	0.230	4	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCC)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCC)(H)	H(CC[6a]C)	116.8020	0.771	22	116.8020	0.594	22	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	H(CC[6a]C)	116.5953	1.044	146	116.5953	1.090	146	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCN)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCN)(H)	H(CC[6a]C)	117.0557	1.339	9	117.0557	1.793	9	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCO)(H)	H(CC[6a]C)	116.3857	1.155	167	116.3857	1.334	167	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCS)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCS)(H)	H(CC[6a]C)	117.2080	0.000	1	117.2080	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[4]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[4]H)(H)	H(CC[6a]C)	116.2210	0.000	1	116.2210	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[4]O)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[4]O)(H)	H(CC[6a]C)	116.4225	0.909	2	116.4225	0.826	2	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]H)(H)	H(CC[6a]C)	116.5163	0.955	6	116.5163	0.913	6	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]N)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]N)(H)	H(CC[6a]C)	116.7080	0.000	1	116.7080	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]O)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]O)(H)	H(CC[6a]C)	116.5429	0.767	25	116.5429	0.588	25	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6]H)(H)	H(CC[6a]C)	116.6644	1.564	17	116.6644	2.448	17	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6]N)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6]N)(H)	H(CC[6a]C)	117.0280	0.000	1	117.0280	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6]O)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6]O)(H)	H(CC[6a]C)	116.5346	0.565	14	116.5346	0.320	14	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]N)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]N)(H)	H(CC[6a]C)	116.7994	0.575	19	116.7994	0.331	19	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]O)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]O)(H)	H(CC[6a]C)	116.3421	0.743	540	116.3421	0.552	540	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CC[6a]C)	116.7517	0.879	111	116.7517	0.772	111	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHO)(H)	H(CC[6a]C)	116.1653	0.666	11	116.1653	0.443	11	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CIrC)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CIrC)(H)	H(CC[6a]C)	115.5897	0.404	3	115.5897	0.163	3	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CNN)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CNN)(H)	H(CC[6a]C)	116.7680	0.337	3	116.7680	0.114	3	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CNO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CNO)(H)	H(CC[6a]C)	116.4979	1.395	93	116.4979	1.947	93	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5]H)(H)	H(CC[6a]C)	116.1988	0.760	4	116.1988	0.578	4	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5]O)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5]O)(H)	H(CC[6a]C)	116.5768	0.483	13	116.5768	0.233	13	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5a]H)(H)	H(CC[6a]C)	116.0850	0.379	3	116.0850	0.144	3	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5a]O)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5a]O)(H)	H(CC[6a]C)	115.8730	0.221	2	115.8730	0.049	2	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[6]O)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[6]O)(H)	H(CC[6a]C)	116.0815	0.539	11	116.0815	0.290	11	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(COO)(H)	H(CC[6a]C)	116.4422	0.873	313	116.4422	0.763	313	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(COS)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(COS)(H)	H(CC[6a]C)	116.9808	3.968	4	116.9808	15.748	4	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)2(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)2(H)	H(CC[6a]C)	115.4585	0.725	2	115.4585	0.525	2	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CCH)(H)	C(CC[6a]H)(CNO)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCH)(H)	C(CC[6a]H)(CNO)(H)	H(CC[6a]C)	116.8663	0.436	3	116.8663	0.190	3	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CCH)(H)	C(CC[6a]H)(CN[5]O)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCH)(H)	C(CC[6a]H)(CN[5]O)(H)	H(CC[6a]C)	117.4370	0.000	1	117.4370	0.000	1	116.4660	0.864	1734	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:Cl-1:	C-3:	C(C[6a]C[6a]2)(CClN)(H)	C(CC[6a]H)(NCS)(Cl)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClN)(H)	C(CC[6a]H)(NCS)(Cl)	H(CC[6a]C)	115.8510	0.000	1	115.8510	0.000	1	115.8510	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:F-1:	C-3:	C(C[6a]C[6a]2)(CFN)(H)	C(CC[6a]H)(NCS)(F)	H(CC[6a]C)	C(C[6a]C[6a]2)(CFN)(H)	C(CC[6a]H)(NCS)(F)	H(CC[6a]C)	114.9120	0.000	1	114.9120	0.000	1	115.3240	0.339	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:F-1:	C-3:	C(C[6a]C[6a]N[6a])(CFN)(H)	C(CC[6a]H)(NCS)(F)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CFN)(H)	C(CC[6a]H)(NCS)(F)	H(CC[6a]C)	115.7360	0.000	1	115.7360	0.000	1	115.3240	0.339	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6a]C[5,6a]2)(CHN)(H)	C(CC[6a]H)(NOO)(H)	H(CC[6a]C)	C(C[6a]C[5,6a]2)(CHN)(H)	C(CC[6a]H)(NOO)(H)	H(CC[6a]C)	115.8320	0.000	1	115.8320	0.000	1	117.1299	3.171	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	C(CC[6a]H)(NOO)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	C(CC[6a]H)(NOO)(H)	H(CC[6a]C)	118.0690	1.171	2	118.0690	1.371	2	117.1299	3.171	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NCC)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NCC)(H)	H(CC[6a]C)	116.9084	1.019	7	116.9084	1.037	7	117.1299	3.171	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NCH)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NCH)(H)	H(CC[6a]C)	119.5520	2.278	5	119.5520	5.190	5	117.1299	3.171	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NCS)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NCS)(H)	H(CC[6a]C)	115.3830	0.000	1	115.3830	0.000	1	117.1299	3.171	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NC[6a]C)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NC[6a]C)(H)	H(CC[6a]C)	117.2467	0.511	3	117.2467	0.261	3	117.1299	3.171	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NOO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NOO)(H)	H(CC[6a]C)	116.6173	1.436	21	116.6173	2.063	21	117.1299	3.171	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NSS)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NSS)(H)	H(CC[6a]C)	113.7410	0.000	1	113.7410	0.000	1	117.1299	3.171	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CHN)(H)	C(CC[6a]H)(NCC)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CHN)(H)	C(CC[6a]H)(NCC)(H)	H(CC[6a]C)	119.3345	0.325	2	119.3345	0.105	2	117.1299	3.171	43	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C-3:	C(C[6a]C[6a]2)(CNO)(H)	C(CC[6a]H)(NC[5a]H)(O)	H(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(H)	C(CC[6a]H)(NC[5a]H)(O)	H(CC[6a]C)	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:P-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHP)(H)	C(CC[6a]H)(PC[6a]2)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHP)(H)	C(CC[6a]H)(PC[6a]2)(H)	H(CC[6a]C)	118.1093	1.667	3	118.1093	2.780	3	116.8922	4.478	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:P-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHP)(H)	C(CC[6a]H)(PC[6a]C)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHP)(H)	C(CC[6a]H)(PC[6a]C)(H)	H(CC[6a]C)	115.0665	1.114	2	115.0665	1.240	2	116.8922	4.478	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:S-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHS)(H)	C(CC[6a]H)(SC[6a]O)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(H)	C(CC[6a]H)(SC[6a]O)(H)	H(CC[6a]C)	116.5497	1.039	3	116.5497	1.080	3	116.5497	1.080	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[4]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[4]H)(H)	C(C[4]B[4]C[4])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4]H)(H)	C(C[4]B[4]C[4])(CC[6a]H)(H)	H(CC[6a]C)	116.8690	0.443	4	116.8690	0.197	4	116.7622	0.204	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[4]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[4]H)(H)	C(C[4]C[4,6]C[4])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4]H)(H)	C(C[4]C[4,6]C[4])(CC[6a]H)(H)	H(CC[6a]C)	116.3350	0.000	1	116.3350	0.000	1	116.7622	0.204	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[5,5,6]C[5,6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[5,5,6]C[5,6])(CC[6a]H)(H)	H(CC[6a]C)	118.2100	0.000	1	118.2100	0.000	1	118.2100	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[5]H)(H)	C(C[5]C[5]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[5]H)(H)	C(C[5]C[5]2)(CC[6a]H)(H)	H(CC[6a]C)	116.2480	0.000	1	116.2480	0.000	1	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[6a]H)(H)	H(CC[6a]C)	115.6230	1.319	3	115.6230	1.739	3	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C(C[5]C[5]P[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C(C[5]C[5]P[5])(CC[6a]H)(H)	H(CC[6a]C)	117.1850	0.000	1	117.1850	0.000	1	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5,6]C[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5,6]C[5])(CC[6a]H)(H)	H(CC[6a]C)	117.7110	0.000	1	117.7110	0.000	1	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2)(CC[6a]H)(H)	H(CC[6a]C)	116.7552	1.360	16	116.7552	1.849	16	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5])(CC[6a]H)(H)	H(CC[6a]C)	116.7760	1.209	42	116.7760	1.461	42	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5])(CC[6a]H)(H)	H(CC[6a]C)	117.2780	0.000	1	117.2780	0.000	1	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]P[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]P[5])(CC[6a]H)(H)	H(CC[6a]C)	117.4780	0.566	2	117.4780	0.320	2	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]S[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]S[5])(CC[6a]H)(H)	H(CC[6a]C)	116.9530	0.000	1	116.9530	0.000	1	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5]2)(CC[6a]H)(H)	H(CC[6a]C)	117.6640	0.305	2	117.6640	0.093	2	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5]O[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5]O[5])(CC[6a]H)(H)	H(CC[6a]C)	116.8810	0.785	3	116.8810	0.617	3	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5]S[5])(CC[6a]H)(H)	H(CC[6a]C)	118.1495	2.878	13	118.1495	8.281	13	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]Se[5]C[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]Se[5]C[5])(CC[6a]H)(H)	H(CC[6a]C)	116.2860	0.000	1	116.2860	0.000	1	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]Se[5]N[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]Se[5]N[5])(CC[6a]H)(H)	H(CC[6a]C)	116.0132	0.598	5	116.0132	0.358	5	116.9363	2.495	92	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C(C[5a]C[5a,6a]O[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C(C[5a]C[5a,6a]O[5a])(CC[6a]H)(H)	H(CC[6a]C)	116.1950	0.000	1	116.1950	0.000	1	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	117.7890	0.322	2	117.7890	0.104	2	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	H(CC[6a]C)	116.3840	0.000	1	116.3840	0.000	1	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	116.4760	0.000	1	116.4760	0.000	1	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5a]H)(H)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5a]H)(H)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	H(CC[6a]C)	117.2330	0.255	2	117.2330	0.065	2	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a,6]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a,6]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	114.9770	0.000	1	114.9770	0.000	1	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	H(CC[6a]C)	115.5496	1.454	7	115.5496	2.116	7	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]2)(CC[6a]H)(H)	H(CC[6a]C)	116.3077	0.456	4	116.3077	0.208	4	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	H(CC[6a]C)	117.2488	0.944	29	117.2488	0.891	29	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	H(CC[6a]C)	116.4963	0.546	17	116.4963	0.298	17	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	116.3012	0.880	30	116.3012	0.775	30	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	H(CC[6a]C)	116.4006	0.619	18	116.4006	0.383	18	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(H)	H(CC[6a]C)	116.4570	0.000	1	116.4570	0.000	1	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a,6a]N[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a,6a]N[5a])(CC[6a]H)(H)	H(CC[6a]C)	115.9480	0.000	1	115.9480	0.000	1	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a]2)(CC[6a]H)(H)	H(CC[6a]C)	116.7144	0.860	12	116.7144	0.739	12	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	H(CC[6a]C)	116.5837	0.644	12	116.5837	0.415	12	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	115.8201	1.088	7	115.8201	1.184	7	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CC[5a]H)(H)	C(C[5a]C[5a,6a]N[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[5a]H)(H)	C(C[5a]C[5a,6a]N[5a])(CC[6a]H)(H)	H(CC[6a]C)	117.2405	0.436	2	117.2405	0.190	2	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6a]N[6a]O[6a])(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]N[6a]O[6a])(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	H(CC[6a]C)	117.2150	0.000	1	117.2150	0.000	1	116.5602	0.867	149	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:Br-1:	C-3:	C(C[6a]C[6a]2)(CC[6]Br)(H)	C(C[6]C[6]2)(CC[6a]H)(Br)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]Br)(H)	C(C[6]C[6]2)(CC[6a]H)(Br)	H(CC[6a]C)	112.6520	0.000	1	112.6520	0.000	1	112.6520	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	H(CC[6a]C)	116.5240	0.000	1	116.5240	0.000	1	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	116.7228	0.390	5	116.7228	0.152	5	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	H(CC[6a]C)	117.3060	0.000	1	117.3060	0.000	1	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	116.9777	0.905	7	116.9777	0.819	7	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]2)(CC[6a]H)(H)	H(CC[6a]C)	116.7674	0.566	5	116.7674	0.321	5	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	H(CC[6a]C)	117.7415	2.383	4	117.7415	5.680	4	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	H(CC[6a]C)	116.5920	0.337	3	116.5920	0.114	3	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	116.7375	1.252	274	116.7375	1.567	274	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	H(CC[6a]C)	116.7221	0.964	81	116.7221	0.930	81	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6])(CC[6a]H)(H)	H(CC[6a]C)	116.6390	0.667	8	116.6390	0.445	8	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	H(CC[6a]C)	116.8225	0.269	2	116.8225	0.073	2	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	117.2987	0.458	9	117.2987	0.210	9	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	H(CC[6a]C)	115.5695	2.877	2	115.5695	8.278	2	116.7538	1.371	402	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	H(CC[6a]C)	113.6658	0.365	4	113.6658	0.133	4	113.6708	0.100	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	H(CC[6a]C)	113.6910	0.000	1	113.6910	0.000	1	113.6708	0.100	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:D-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]D)(H)	C(C[6a]C[6a]2)(CC[6a]H)(D)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]D)(H)	C(C[6a]C[6a]2)(CC[6a]H)(D)	H(CC[6a]C)	116.1460	0.000	1	116.1460	0.000	1	116.1460	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:F-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]F)(H)	C(C[6a]C[6a]2)(CC[6a]H)(F)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]F)(H)	C(C[6a]C[6a]2)(CC[6a]H)(F)	H(CC[6a]C)	115.7390	0.000	1	115.7390	0.000	1	115.7390	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	116.9366	0.751	9	116.9366	0.564	9	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	116.9250	0.000	1	116.9250	0.000	1	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	116.6076	1.418	11	116.6076	2.010	11	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	118.7110	0.000	1	118.7110	0.000	1	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	113.6573	0.182	3	113.6573	0.033	3	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	H(CC[6a]C)	117.9560	0.032	3	117.9560	0.001	3	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	117.3600	0.000	1	117.3600	0.000	1	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	117.0726	0.691	49	117.0726	0.477	49	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	115.5710	3.823	2	115.5710	14.612	2	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6,6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	118.3080	0.000	1	118.3080	0.000	1	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	H(CC[6a]C)	116.7250	0.000	1	116.7250	0.000	1	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	117.7455	1.152	4	117.7455	1.327	4	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	117.2569	0.987	32	117.2569	0.974	32	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	117.5230	0.000	1	117.5230	0.000	1	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	116.6013	0.474	9	116.6013	0.225	9	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	116.8349	0.685	11	116.8349	0.469	11	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	118.0650	0.000	1	118.0650	0.000	1	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	H(CC[6a]C)	116.4786	1.286	50	116.4786	1.654	50	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6,6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6,6a])(CC[6a]H)(H)	H(CC[6a]C)	116.1450	0.000	1	116.1450	0.000	1	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	116.6245	0.876	32	116.6245	0.767	32	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	116.7610	1.906	1488	116.7610	3.634	1488	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	116.4938	0.783	86	116.4938	0.614	86	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	H(CC[6a]C)	116.3897	0.190	4	116.3897	0.036	4	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]N[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]N[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	116.3380	0.000	1	116.3380	0.000	1	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	H(CC[6a]C)	115.8595	0.831	2	115.8595	0.690	2	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	H(CC[6a]C)	120.5070	0.195	2	120.5070	0.038	2	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	H(CC[6a]C)	117.0880	0.000	1	117.0880	0.000	1	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	117.7384	1.232	85	117.7384	1.519	85	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	H(CC[6a]C)	117.4946	1.093	19	117.4946	1.195	19	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	117.3930	0.460	4	117.3930	0.212	4	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]N[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]N[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	118.1990	0.000	1	118.1990	0.000	1	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	117.3345	0.947	2	117.3345	0.896	2	116.8114	3.135	1918	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:F-1:	C-3:	C(C[6a]C[6a]2)(CN[5]F)(H)	C(N[5]C[5]2)(CC[6a]H)(F)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]F)(H)	C(N[5]C[5]2)(CC[6a]H)(F)	H(CC[6a]C)	115.2320	0.000	1	115.2320	0.000	1	115.2320	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CN[5]H)(H)	C(N[5]C[5]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]H)(H)	C(N[5]C[5]2)(CC[6a]H)(H)	H(CC[6a]C)	117.1732	1.478	5	117.1732	2.184	5	117.5942	2.810	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	C(N[5]C[5]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	C(N[5]C[5]2)(CC[6a]H)(H)	H(CC[6a]C)	119.6990	0.000	1	119.6990	0.000	1	117.5942	2.810	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CN[5a]H)(H)	C(N[5a]C[5a,6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]H)(H)	C(N[5a]C[5a,6a]2)(CC[6a]H)(H)	H(CC[6a]C)	118.4837	1.499	6	118.4837	2.247	6	118.2589	2.226	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CN[5a]H)(H)	C(N[5a]C[5a]N[5a])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]H)(H)	C(N[5a]C[5a]N[5a])(CC[6a]H)(H)	H(CC[6a]C)	116.9100	0.000	1	116.9100	0.000	1	118.2589	2.226	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[6a]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CN[6a]H)(H)	C(N[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[6a]H)(H)	C(N[6a]C[6a]2)(CC[6a]H)(H)	H(CC[6a]C)	117.9343	0.948	3	117.9343	0.899	3	117.9343	0.899	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	P[4]-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CP[4]H)(H)	C(P[4]C[4,6a]C[4])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CP[4]H)(H)	C(P[4]C[4,6a]C[4])(CC[6a]H)(H)	H(CC[6a]C)	114.2450	0.000	1	114.2450	0.000	1	114.2450	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(NC[6a]S)(CBrC)(H)	C(CCH)(CHN)(Br)	H(CCN)	C(NC[6a]S)(CBrC)(H)	C(CCH)(CHN)(Br)	H(CCN)	117.9260	0.000	1	117.9260	0.000	1	117.9260	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[5]S)(CCH)(H)	C(CHH)(CHN)(H)	H(CCN)	C(NC[5]S)(CCH)(H)	C(CHH)(CHN)(H)	H(CCN)	107.1090	0.000	1	107.1090	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6]Cu)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NC[6]Cu)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	118.8032	0.404	6	118.8032	0.163	6	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6]H)(CCH)(H)	C(CCN)(CHN)(H)	H(CCN)	C(NC[6]H)(CCH)(H)	C(CCN)(CHN)(H)	H(CCN)	119.9700	0.000	1	119.9700	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6]Ni)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NC[6]Ni)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	117.2960	0.387	3	117.2960	0.150	3	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6]Ni)(CCH)(H)	C(CC[6a]S)(CHN)(H)	H(CCN)	C(NC[6]Ni)(CCH)(H)	C(CC[6a]S)(CHN)(H)	H(CCN)	119.8827	0.833	6	119.8827	0.695	6	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6]Zn)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NC[6]Zn)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	117.4213	0.683	3	117.4213	0.466	3	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]C)(CCH)(H)	C(CCH)(CHN)(H)	H(CCN)	C(NC[6a]C)(CCH)(H)	C(CCH)(CHN)(H)	H(CCN)	117.4664	2.361	5	117.4664	5.572	5	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]Co)(CCH)(H)	C(CHN)2(H)	H(CCN)	C(NC[6a]Co)(CCH)(H)	C(CHN)2(H)	H(CCN)	116.8040	0.000	1	116.8040	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]Cu)(CCH)(H)	C(CC[6a]2)(CHN)(H)	H(CCN)	C(NC[6a]Cu)(CCH)(H)	C(CC[6a]2)(CHN)(H)	H(CCN)	120.2790	0.000	1	120.2790	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]Cu)(CCH)(H)	C(CHN)2(H)	H(CCN)	C(NC[6a]Cu)(CCH)(H)	C(CHN)2(H)	H(CCN)	117.6320	0.263	8	117.6320	0.069	8	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]Fe)(CCH)(H)	C(CHN)2(H)	H(CCN)	C(NC[6a]Fe)(CCH)(H)	C(CHN)2(H)	H(CCN)	116.5897	0.298	4	116.5897	0.089	4	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(CCH)(H)	C(CCO)(CHN)(H)	H(CCN)	C(NC[6a]H)(CCH)(H)	C(CCO)(CHN)(H)	H(CCN)	118.4277	0.253	3	118.4277	0.064	3	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(CCH)(H)	C(CC[6a]O)(CHN)(H)	H(CCN)	C(NC[6a]H)(CCH)(H)	C(CC[6a]O)(CHN)(H)	H(CCN)	120.8790	0.000	1	120.8790	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]Ni)(CCH)(H)	C(CCO)(CHN)(H)	H(CCN)	C(NC[6a]Ni)(CCH)(H)	C(CCO)(CHN)(H)	H(CCN)	116.1380	0.000	1	116.1380	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]Ni)(CCH)(H)	C(CC[6a]O)(CHN)(H)	H(CCN)	C(NC[6a]Ni)(CCH)(H)	C(CC[6a]O)(CHN)(H)	H(CCN)	115.8223	0.385	6	115.8223	0.148	6	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]Ni)(CCH)(H)	C(CHN)2(H)	H(CCN)	C(NC[6a]Ni)(CCH)(H)	C(CHN)2(H)	H(CCN)	117.7930	0.117	4	117.7930	0.014	4	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]O)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NC[6a]O)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	118.5380	0.000	1	118.5380	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]Pt)(CCH)(H)	C(CHN)2(H)	H(CCN)	C(NC[6a]Pt)(CCH)(H)	C(CHN)2(H)	H(CCN)	116.9380	0.354	2	116.9380	0.125	2	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]Ru)(CCH)(H)	C(CC[6a]O)(CHN)(H)	H(CCN)	C(NC[6a]Ru)(CCH)(H)	C(CC[6a]O)(CHN)(H)	H(CCN)	115.6655	0.268	2	115.6655	0.072	2	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]S)(CCH)(H)	C(CHN)2(H)	H(CCN)	C(NC[6a]S)(CCH)(H)	C(CHN)2(H)	H(CCN)	116.8930	0.000	1	116.8930	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]Zn)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NC[6a]Zn)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	117.8065	0.036	2	117.8065	0.001	2	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NCdN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NCdN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	119.5745	0.262	2	119.5745	0.069	2	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NCoC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NCoC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	118.2858	0.848	6	118.2858	0.719	6	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NCuC)(CCH)(H)	C(CC[6a]2)(CHN)(H)	H(CCN)	C(NCuC)(CCH)(H)	C(CC[6a]2)(CHN)(H)	H(CCN)	118.8937	0.545	3	118.8937	0.297	3	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NCuC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NCuC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	118.5872	0.706	17	118.5872	0.499	17	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NCuN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NCuN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	119.5720	0.000	1	119.5720	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NIrC)(CCH)(H)	C(CC[6a]Ir)(CHN)(H)	H(CCN)	C(NIrC)(CCH)(H)	C(CC[6a]Ir)(CHN)(H)	H(CCN)	121.3300	0.249	2	121.3300	0.062	2	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NNiN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NNiN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	118.2290	0.380	2	118.2290	0.145	2	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NPdC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NPdC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	118.1675	4.013	2	118.1675	16.103	2	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NRhC)(CCH)(H)	C(CC[6a]Rh)(CHN)(H)	H(CCN)	C(NRhC)(CCH)(H)	C(CC[6a]Rh)(CHN)(H)	H(CCN)	121.3355	0.124	2	121.3355	0.015	2	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NRuH)(CCH)(H)	C(CHH)(CHN)(H)	H(CCN)	C(NRuH)(CCH)(H)	C(CHH)(CHN)(H)	H(CCN)	117.2230	0.000	1	117.2230	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NTiH)(CCH)(H)	C(CCH)(CHN)(H)	H(CCN)	C(NTiH)(CCH)(H)	C(CCH)(CHN)(H)	H(CCN)	114.6250	0.000	1	114.6250	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NZnC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NZnC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	117.9862	0.364	4	117.9862	0.133	4	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NZnN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	C(NZnN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	H(CCN)	119.5130	0.000	1	119.5130	0.000	1	118.0412	3.394	106	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(NC[5]C)(CHN)(H)	C(CHN)(NCH)(H)	H(CCN)	C(NC[5]C)(CHN)(H)	C(CHN)(NCH)(H)	H(CCN)	117.2430	0.000	1	117.2430	0.000	1	116.3183	0.327	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(NC[6a]H)(CHN)(H)	C(CHN)(NCC)(H)	H(CCN)	C(NC[6a]H)(CHN)(H)	C(CHN)(NCC)(H)	H(CCN)	116.1334	0.391	5	116.1334	0.153	5	116.3183	0.327	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(NC[6a]H)(CC[5]H)(H)	C(C[5]N[5]S[5])(CHN)(H)	H(CCN)	C(NC[6a]H)(CC[5]H)(H)	C(C[5]N[5]S[5])(CHN)(H)	H(CCN)	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:	C(NC[6a]Co)(CC[5]O)(H)	C(C[5]N[5]O[5])(CHN)(O)	H(CCN)	C(NC[6a]Co)(CC[5]O)(H)	C(C[5]N[5]O[5])(CHN)(O)	H(CCN)	117.7555	0.376	4	117.7555	0.141	4	117.7555	0.141	4	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6,6]Ni)(CHN)(H)	C(NC[6,6]Ni)(CHN)(H)	H(CCN)	C(NC[6,6]Ni)(CHN)(H)	C(NC[6,6]Ni)(CHN)(H)	H(CCN)	122.1337	0.119	4	122.1337	0.014	4	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6]Co)(CHN)(H)	C(NC[6]Co)(CHN)(H)	H(CCN)	C(NC[6]Co)(CHN)(H)	C(NC[6]Co)(CHN)(H)	H(CCN)	122.8240	0.076	2	122.8240	0.006	2	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6]Cr)(CHN)(H)	C(NC[6]Cr)(CHN)(H)	H(CCN)	C(NC[6]Cr)(CHN)(H)	C(NC[6]Cr)(CHN)(H)	H(CCN)	121.6135	0.030	2	121.6135	0.001	2	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6]Fe)(CHN)(H)	C(NC[6]Fe)(CHN)(H)	H(CCN)	C(NC[6]Fe)(CHN)(H)	C(NC[6]Fe)(CHN)(H)	H(CCN)	120.9070	0.000	1	120.9070	0.000	1	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6]Pd)(CHN)(H)	C(NC[6]Pd)(CHN)(H)	H(CCN)	C(NC[6]Pd)(CHN)(H)	C(NC[6]Pd)(CHN)(H)	H(CCN)	121.8075	0.226	2	121.8075	0.051	2	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6]Y)(CHN)(H)	C(NC[6]Y)(CHN)(H)	H(CCN)	C(NC[6]Y)(CHN)(H)	C(NC[6]Y)(CHN)(H)	H(CCN)	117.2850	0.000	1	117.2850	0.000	1	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Al)(CHN)(H)	C(NC[6a]Al)(CHN)(H)	H(CCN)	C(NC[6a]Al)(CHN)(H)	C(NC[6a]Al)(CHN)(H)	H(CCN)	120.8178	1.830	4	120.8178	3.350	4	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Al)(CHN)(H)	C(NC[6a]C)(CHN)(H)	H(CCN)	C(NC[6a]Al)(CHN)(H)	C(NC[6a]C)(CHN)(H)	H(CCN)	116.2857	0.261	3	116.2857	0.068	3	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Be)(CHN)(H)	C(NC[6a]C)(CHN)(H)	H(CCN)	C(NC[6a]Be)(CHN)(H)	C(NC[6a]C)(CHN)(H)	H(CCN)	116.4990	0.000	1	116.4990	0.000	1	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]C)(CHN)(H)	C(NC[6a]Al)(CHN)(H)	H(CCN)	C(NC[6a]C)(CHN)(H)	C(NC[6a]Al)(CHN)(H)	H(CCN)	116.1673	0.131	3	116.1673	0.017	3	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]C)(CHN)(H)	C(NC[6a]Be)(CHN)(H)	H(CCN)	C(NC[6a]C)(CHN)(H)	C(NC[6a]Be)(CHN)(H)	H(CCN)	116.1980	0.000	1	116.1980	0.000	1	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Cr)(CHN)(H)	C(NC[6a]Cr)(CHN)(H)	H(CCN)	C(NC[6a]Cr)(CHN)(H)	C(NC[6a]Cr)(CHN)(H)	H(CCN)	121.6844	1.088	20	121.6844	1.184	20	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]H)(CHN)(H)	C(NReC)(CHN)(H)	H(CCN)	C(NC[6a]H)(CHN)(H)	C(NReC)(CHN)(H)	H(CCN)	117.8020	0.000	1	117.8020	0.000	1	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Ir)(CHN)(H)	C(NC[6a]Ir)(CHN)(H)	H(CCN)	C(NC[6a]Ir)(CHN)(H)	C(NC[6a]Ir)(CHN)(H)	H(CCN)	122.6155	0.840	4	122.6155	0.705	4	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Li)(CHN)(H)	C(NC[6a]Li)(CHN)(H)	H(CCN)	C(NC[6a]Li)(CHN)(H)	C(NC[6a]Li)(CHN)(H)	H(CCN)	116.9640	0.805	2	116.9640	0.648	2	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Mo)(CHN)(H)	C(NC[6a]Mo)(CHN)(H)	H(CCN)	C(NC[6a]Mo)(CHN)(H)	C(NC[6a]Mo)(CHN)(H)	H(CCN)	121.4975	0.335	6	121.4975	0.112	6	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Ni)(CHN)(H)	C(NC[6a]Ni)(CHN)(H)	H(CCN)	C(NC[6a]Ni)(CHN)(H)	C(NC[6a]Ni)(CHN)(H)	H(CCN)	122.2576	0.388	7	122.2576	0.151	7	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Pd)(CHN)(H)	C(NC[6a]Pd)(CHN)(H)	H(CCN)	C(NC[6a]Pd)(CHN)(H)	C(NC[6a]Pd)(CHN)(H)	H(CCN)	121.6133	0.342	15	121.6133	0.117	15	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Pt)(CHN)(H)	C(NC[6a]Pt)(CHN)(H)	H(CCN)	C(NC[6a]Pt)(CHN)(H)	C(NC[6a]Pt)(CHN)(H)	H(CCN)	122.4323	0.127	3	122.4323	0.016	3	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Re)(CHN)(H)	C(NC[6a]Re)(CHN)(H)	H(CCN)	C(NC[6a]Re)(CHN)(H)	C(NC[6a]Re)(CHN)(H)	H(CCN)	121.4783	0.193	4	121.4783	0.037	4	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Rh)(CHN)(H)	C(NC[6a]Rh)(CHN)(H)	H(CCN)	C(NC[6a]Rh)(CHN)(H)	C(NC[6a]Rh)(CHN)(H)	H(CCN)	121.7960	0.478	2	121.7960	0.228	2	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Ru)(CHN)(H)	C(NC[6a]Ru)(CHN)(H)	H(CCN)	C(NC[6a]Ru)(CHN)(H)	C(NC[6a]Ru)(CHN)(H)	H(CCN)	118.8345	0.541	2	118.8345	0.293	2	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Si)(CHN)(H)	C(NC[6a]Si)(CHN)(H)	H(CCN)	C(NC[6a]Si)(CHN)(H)	C(NC[6a]Si)(CHN)(H)	H(CCN)	117.7940	0.000	1	117.7940	0.000	1	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Sn)(CHN)(H)	C(NC[6a]Sn)(CHN)(H)	H(CCN)	C(NC[6a]Sn)(CHN)(H)	C(NC[6a]Sn)(CHN)(H)	H(CCN)	121.0154	0.121	5	121.0154	0.015	5	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NC[6a]Zn)(CHN)(H)	C(NC[6a]Zn)(CHN)(H)	H(CCN)	C(NC[6a]Zn)(CHN)(H)	C(NC[6a]Zn)(CHN)(H)	H(CCN)	120.2747	0.465	4	120.2747	0.216	4	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NCoO)(CHN)(H)	C(NCoO)(CHN)(H)	H(CCN)	C(NCoO)(CHN)(H)	C(NCoO)(CHN)(H)	H(CCN)	123.4122	0.631	10	123.4122	0.398	10	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NCuC)(CHN)(H)	C(NCuC)(CHN)(H)	H(CCN)	C(NCuC)(CHN)(H)	C(NCuC)(CHN)(H)	H(CCN)	115.9697	6.133	3	115.9697	37.615	3	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NEuC)(CHN)(H)	C(NEuC)(CHN)(H)	H(CCN)	C(NEuC)(CHN)(H)	C(NEuC)(CHN)(H)	H(CCN)	119.0805	0.344	2	119.0805	0.119	2	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NFeC)(CHN)(H)	C(NFeC)(CHN)(H)	H(CCN)	C(NFeC)(CHN)(H)	C(NFeC)(CHN)(H)	H(CCN)	121.2812	1.589	16	121.2812	2.526	16	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NFeO)(CHN)(H)	C(NFeO)(CHN)(H)	H(CCN)	C(NFeO)(CHN)(H)	C(NFeO)(CHN)(H)	H(CCN)	123.7625	0.114	11	123.7625	0.013	11	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NMoC)(CHN)(H)	C(NMoC)(CHN)(H)	H(CCN)	C(NMoC)(CHN)(H)	C(NMoC)(CHN)(H)	H(CCN)	122.2370	0.000	1	122.2370	0.000	1	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NNiC)(CHN)(H)	C(NNiC)(CHN)(H)	H(CCN)	C(NNiC)(CHN)(H)	C(NNiC)(CHN)(H)	H(CCN)	122.0902	1.395	5	122.0902	1.945	5	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NNiN)(CHN)(H)	C(NNiN)(CHN)(H)	H(CCN)	C(NNiN)(CHN)(H)	C(NNiN)(CHN)(H)	H(CCN)	125.2090	0.000	1	125.2090	0.000	1	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NPdC)(CHN)(H)	C(NPdC)(CHN)(H)	H(CCN)	C(NPdC)(CHN)(H)	C(NPdC)(CHN)(H)	H(CCN)	121.0360	0.185	3	121.0360	0.034	3	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NPdN)(CHN)(H)	C(NPdN)(CHN)(H)	H(CCN)	C(NPdN)(CHN)(H)	C(NPdN)(CHN)(H)	H(CCN)	120.5450	0.000	1	120.5450	0.000	1	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NReC)(CHN)(H)	C(NC[6a]H)(CHN)(H)	H(CCN)	C(NReC)(CHN)(H)	C(NC[6a]H)(CHN)(H)	H(CCN)	118.7460	0.000	1	118.7460	0.000	1	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NSbC)(CHN)(H)	C(NSbC)(CHN)(H)	H(CCN)	C(NSbC)(CHN)(H)	C(NSbC)(CHN)(H)	H(CCN)	121.5712	0.433	6	121.5712	0.188	6	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NSrC)(CHN)(H)	C(NSrC)(CHN)(H)	H(CCN)	C(NSrC)(CHN)(H)	C(NSrC)(CHN)(H)	H(CCN)	118.6310	0.505	2	118.6310	0.255	2	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NTeC)(CHN)(H)	C(NTeC)(CHN)(H)	H(CCN)	C(NTeC)(CHN)(H)	C(NTeC)(CHN)(H)	H(CCN)	118.2030	0.000	1	118.2030	0.000	1	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NZnC)(CHN)(H)	C(NZnC)(CHN)(H)	H(CCN)	C(NZnC)(CHN)(H)	C(NZnC)(CHN)(H)	H(CCN)	120.5500	0.230	4	120.5500	0.053	4	121.2295	4.549	167	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5]C[5,6a]C[5,5])(CCH)(H)	C(CN[5]H)(COO)(H)	H(CN[5]C)	C(N[5]C[5,6a]C[5,5])(CCH)(H)	C(CN[5]H)(COO)(H)	H(CN[5]C)	116.4973	0.342	4	116.4973	0.117	4	117.0919	3.335	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5]C[5,6a]C[5])(CCH)(H)	C(CN[5]H)(COO)(H)	H(CN[5]C)	C(N[5]C[5,6a]C[5])(CCH)(H)	C(CN[5]H)(COO)(H)	H(CN[5]C)	117.3610	0.776	2	117.3610	0.603	2	117.0919	3.335	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5]C[5]2)(CCH)(H)	C(CC[6a]H)(CN[5]H)(H)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	C(CC[6a]H)(CN[5]H)(H)	H(CN[5]C)	116.8800	0.996	5	116.8800	0.993	5	117.0919	3.335	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5]C[5]2)(CCH)(H)	C(CN[5]H)(CCH)(H)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	C(CN[5]H)(CCH)(H)	H(CN[5]C)	119.2455	3.810	4	119.2455	14.519	4	117.0919	3.335	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5]C[5]2)(CCH)(H)	C(CN[5]H)(COO)(H)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	C(CN[5]H)(COO)(H)	H(CN[5]C)	116.7770	0.391	7	116.7770	0.153	7	117.0919	3.335	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5]C[5]N[5])(CCH)(H)	C(CN[5]H)(CCC)(H)	H(CN[5]C)	C(N[5]C[5]N[5])(CCH)(H)	C(CN[5]H)(CCC)(H)	H(CN[5]C)	115.3370	0.352	2	115.3370	0.124	2	117.0919	3.335	24	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(N[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[5]H)(H)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[5]H)(H)	H(CN[5]C)	116.6006	0.586	5	116.6006	0.343	5	116.4935	0.344	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(N[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	H(CN[5]C)	115.9580	0.000	1	115.9580	0.000	1	116.4935	0.344	6	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	H(CN[5]C)	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	H(CN[5]C)	112.4850	0.000	1	112.4850	0.000	1	112.4850	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	B[5]-3:C-3:H-1:	C-3:	C(N[5a]C[5a,6a]2)(CB[5]H)(H)	C(B[5]O[5]2)(CN[5a]H)(H)	H(CN[5a]C)	C(N[5a]C[5a,6a]2)(CB[5]H)(H)	C(B[5]O[5]2)(CN[5a]H)(H)	H(CN[5a]C)	118.2337	4.963	3	118.2337	24.633	3	118.2337	24.633	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5a]B[5a]N[5a])(CCH)(H)	C(CC[6a]H)(CN[5a]H)(H)	H(CN[5a]C)	C(N[5a]B[5a]N[5a])(CCH)(H)	C(CC[6a]H)(CN[5a]H)(H)	H(CN[5a]C)	118.2715	0.158	2	118.2715	0.025	2	117.0969	1.090	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5a]C[5a,6a]2)(CCH)(H)	C(CC[6a]H)(CN[5a]H)(H)	H(CN[5a]C)	C(N[5a]C[5a,6a]2)(CCH)(H)	C(CC[6a]H)(CN[5a]H)(H)	H(CN[5a]C)	115.3715	0.482	2	115.3715	0.232	2	117.0969	1.090	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)	C(CN[5a]H)(COO)(H)	H(CN[5a]C)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)	C(CN[5a]H)(COO)(H)	H(CN[5a]C)	117.0060	0.389	2	117.0060	0.151	2	117.0969	1.090	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5a]C[5a,6a]O[5a])(CCH)(H)	C(CN[5a]H)(CCO)(H)	H(CN[5a]C)	C(N[5a]C[5a,6a]O[5a])(CCH)(H)	C(CN[5a]H)(CCO)(H)	H(CN[5a]C)	117.6410	0.000	1	117.6410	0.000	1	117.0969	1.090	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5a]C[5a]2)(CCH)(H)	C(CN[5a]H)(CCH)(H)	H(CN[5a]C)	C(N[5a]C[5a]2)(CCH)(H)	C(CN[5a]H)(CCH)(H)	H(CN[5a]C)	117.1735	0.158	2	117.1735	0.025	2	117.0969	1.090	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5a]C[5a]N[5a])(CCH)(H)	C(CN[5a]H)(CNO)(H)	H(CN[5a]C)	C(N[5a]C[5a]N[5a])(CCH)(H)	C(CN[5a]H)(CNO)(H)	H(CN[5a]C)	117.6830	0.000	1	117.6830	0.000	1	117.0969	1.090	10	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(N[5a]C[5a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[5a]H)(H)	H(CN[5a]C)	C(N[5a]C[5a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[5a]H)(H)	H(CN[5a]C)	117.6862	3.451	6	117.6862	11.909	6	117.8703	10.161	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(N[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[5a]H)(H)	H(CN[5a]C)	C(N[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[5a]H)(H)	H(CN[5a]C)	118.9750	0.000	1	118.9750	0.000	1	117.8703	10.161	7	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(N[5a]C[5a,6a]C[5a])(CN[5a]H)(H)	C(N[5a]C[5a,6a]C[5a])(CN[5a]H)(H)	H(CN[5a]C)	C(N[5a]C[5a,6a]C[5a])(CN[5a]H)(H)	C(N[5a]C[5a,6a]C[5a])(CN[5a]H)(H)	H(CN[5a]C)	116.5370	0.000	1	116.5370	0.000	1	117.3510	1.325	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(N[5a]C[5a]N[5a])(CN[5a]H)(H)	C(N[5a]C[5a]N[5a])(CN[5a]H)(H)	H(CN[5a]C)	C(N[5a]C[5a]N[5a])(CN[5a]H)(H)	C(N[5a]C[5a]N[5a])(CN[5a]H)(H)	H(CN[5a]C)	118.1650	0.000	1	118.1650	0.000	1	117.3510	1.325	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[6]C[6,6a]2)(CCH)(H)	C(CN[6]H)(CHO)(H)	H(CN[6]C)	C(N[6]C[6,6a]2)(CCH)(H)	C(CN[6]H)(CHO)(H)	H(CN[6]C)	115.1090	0.000	1	115.1090	0.000	1	117.0232	6.772	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[6]C[6,6a]C[6])(CCH)(H)	C(CN[6]H)(CHO)(H)	H(CN[6]C)	C(N[6]C[6,6a]C[6])(CCH)(H)	C(CN[6]H)(CHO)(H)	H(CN[6]C)	116.6660	0.000	1	116.6660	0.000	1	117.0232	6.772	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[6]C[6,6a]C[6])(CCH)(H)	C(CN[6]H)(COO)(H)	H(CN[6]C)	C(N[6]C[6,6a]C[6])(CCH)(H)	C(CN[6]H)(COO)(H)	H(CN[6]C)	115.9540	0.000	1	115.9540	0.000	1	117.0232	6.772	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[6]C[6]2)(CCH)(H)	C(CN[6]H)(CCH)(H)	H(CN[6]C)	C(N[6]C[6]2)(CCH)(H)	C(CN[6]H)(CCH)(H)	H(CN[6]C)	115.8150	0.000	1	115.8150	0.000	1	117.0232	6.772	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[6]C[6]2)(CCH)(H)	C(CN[6]H)(CNN)(H)	H(CN[6]C)	C(N[6]C[6]2)(CCH)(H)	C(CN[6]H)(CNN)(H)	H(CN[6]C)	121.5720	0.000	1	121.5720	0.000	1	117.0232	6.772	5	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(N[6]C[6]2)(CC[6]H)(H)	C(C[6]C[5a,6]2)(CN[6]H)(H)	H(CN[6]C)	C(N[6]C[6]2)(CC[6]H)(H)	C(C[6]C[5a,6]2)(CN[6]H)(H)	H(CN[6]C)	116.7440	0.000	2	116.7440	0.000	2	116.7440	0.000	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CN[6]H)(O)	H(CN[6]C)	C(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CN[6]H)(O)	H(CN[6]C)	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	N[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(N[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[6a]H)(H)	H(CN[6a]C)	C(N[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[6a]H)(H)	H(CN[6a]C)	116.0910	2.101	3	116.0910	4.412	3	116.0910	4.412	3	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	O-3:C-3:H-1:	O-3:C-3:H-1:	C-3:	C(OCaC)(CHO)(H)	C(OCaC)(CHO)(H)	H(CCO)	C(OCaC)(CHO)(H)	C(OCaC)(CHO)(H)	H(CCO)	103.9014	22.607	2	103.9014	511.079	2	103.9014	511.079	2	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	P-3:C-3:H-1:	B-3:C-3:H-1:	C-3:	C(PC[6a]2)(CBH)(H)	C(BC[6a]2)(CHP)(H)	H(CCP)	C(PC[6a]2)(CBH)(H)	C(BC[6a]2)(CHP)(H)	H(CCP)	117.6110	0.000	1	117.6110	0.000	1	117.6110	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	P-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(PC[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CHP)(H)	H(CCP)	C(PC[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CHP)(H)	H(CCP)	117.2760	0.000	1	117.2760	0.000	1	117.2760	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:1:	3:	P[4]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(P[4]C[4,6a]C[4])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CP[4]H)(H)	H(CP[4]C)	C(P[4]C[4,6a]C[4])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CP[4]H)(H)	H(CP[4]C)	115.9630	0.000	1	115.9630	0.000	1	115.9630	0.000	1	117.1427	4.413	15789	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CCH)(H)	C(CCC)(CCH)(CC)	H(CCC)	C(CCC)(CCH)(H)	C(CCC)(CCH)(CC)	H(CCC)	116.5620	1.858	2	116.5620	3.453	2	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CCH)(H)	C(CCC)(CCH)(CN)	H(CCC)	C(CCC)(CCH)(H)	C(CCC)(CCH)(CN)	H(CCC)	116.5460	0.000	1	116.5460	0.000	1	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CCH)(H)	C(CCH)(CNO)(CN)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)(CNO)(CN)	H(CCC)	116.2410	0.000	1	116.2410	0.000	1	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CCH)(H)	C(CCH)2(CN)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)2(CN)	H(CCC)	116.4588	1.320	4	116.4588	1.742	4	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(CC)	H(CCC)	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(CC)	H(CCC)	113.2880	0.000	1	113.2880	0.000	1	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CCH)(H)	C(CC[5a]O)(CCH)(CN)	H(CCC)	C(CCC)(CCH)(H)	C(CC[5a]O)(CCH)(CN)	H(CCC)	116.7630	0.000	1	116.7630	0.000	1	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(CN)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(CN)	H(CCC)	116.3400	0.000	1	116.3400	0.000	1	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CN)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CN)	H(CCC)	117.1855	0.971	2	117.1855	0.943	2	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(CHS)(H)	C(CPtH)(CCH)(CN)	H(CCC)	C(CCC)(CHS)(H)	C(CPtH)(CCH)(CN)	H(CCC)	116.6470	0.382	3	116.6470	0.146	3	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)2(H)	C(CC[6a]O)(CCH)(CN)	H(CCC)	C(CCC)2(H)	C(CC[6a]O)(CCH)(CN)	H(CCC)	113.5923	0.354	3	113.5923	0.125	3	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CC[5]H)(CCC)(H)	C(CCC)(CCH)(CN)	H(CCC)	C(CC[5]H)(CCC)(H)	C(CCC)(CCH)(CN)	H(CCC)	115.3900	0.000	1	115.3900	0.000	1	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CC[5]H)(CCC)(H)	C(CCH)2(CC)	H(CCC)	C(CC[5]H)(CCC)(H)	C(CCH)2(CC)	H(CCC)	114.9365	0.169	2	114.9365	0.029	2	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(CCH)(CN)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(CCH)(CN)	H(CCC)	116.7680	0.000	1	116.7680	0.000	1	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CC[6a]H)(CCC)(H)	C(CCH)2(CC)	H(CCC)	C(CC[6a]H)(CCC)(H)	C(CCH)2(CC)	H(CCC)	117.0710	0.000	1	117.0710	0.000	1	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(COsC)(CCC)(H)	C(CCH)(COO)(COs)	H(CCC)	C(COsC)(CCC)(H)	C(CCH)(COO)(COs)	H(CCC)	123.5760	0.000	1	123.5760	0.000	1	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CPtH)(CCC)(H)	C(CCH)(CHS)(CN)	H(CCC)	C(CPtH)(CCC)(H)	C(CCH)(CHS)(CN)	H(CCC)	115.5280	0.000	1	115.5280	0.000	1	116.2089	4.095	26	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CCN)(NC)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CCN)(NC)	H(CCC)	113.5430	0.092	2	113.5430	0.008	2	115.5051	2.375	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CCN)(NS)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CCN)(NS)	H(CCC)	114.0080	0.000	1	114.0080	0.000	1	115.5051	2.375	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(CCH)(CCN)(H)	C(CCH)2(NN)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)2(NN)	H(CCC)	115.2095	0.557	4	115.2095	0.310	4	115.5051	2.375	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(CCN)(CHN)(H)	C(CCH)(CHH)(NC)	H(CCC)	C(CCN)(CHN)(H)	C(CCH)(CHH)(NC)	H(CCC)	119.4370	0.000	1	119.4370	0.000	1	115.5051	2.375	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(CC[5]H)(CCN)(H)	C(CCH)2(NN)	H(CCC)	C(CC[5]H)(CCN)(H)	C(CCH)2(NN)	H(CCC)	115.3544	0.286	5	115.3544	0.082	5	115.5051	2.375	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(CC[6,6]H)(CCN)(H)	C(CCH)2(NO)	H(CCC)	C(CC[6,6]H)(CCN)(H)	C(CCH)2(NO)	H(CCC)	115.8955	1.095	2	115.8955	1.200	2	115.5051	2.375	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(CC[6a]H)(CCN)(H)	C(CCH)(COO)(NS)	H(CCC)	C(CC[6a]H)(CCN)(H)	C(CCH)(COO)(NS)	H(CCC)	118.1490	0.000	1	118.1490	0.000	1	115.5051	2.375	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCC)(CCO)(H)	C(CCH)(CCO)(OH)	H(CCC)	C(CCC)(CCO)(H)	C(CCH)(CCO)(OH)	H(CCC)	113.6239	0.628	7	113.6239	0.394	7	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCC)(CCO)(H)	C(CCH)(CCO)(OS)	H(CCC)	C(CCC)(CCO)(H)	C(CCH)(CCO)(OS)	H(CCC)	114.5390	0.000	1	114.5390	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCC)(CCO)(H)	C(CCH)(CCS)(OH)	H(CCC)	C(CCC)(CCO)(H)	C(CCH)(CCS)(OH)	H(CCC)	117.3850	0.000	1	117.3850	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCC)(CCO)(H)	C(CCH)2(OC)	H(CCC)	C(CCC)(CCO)(H)	C(CCH)2(OC)	H(CCC)	116.9990	0.000	1	116.9990	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CBrH)(CCH)(OC)	H(CCC)	C(CCH)(CCO)(H)	C(CBrH)(CCH)(OC)	H(CCC)	117.5610	0.000	1	117.5610	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCC)(CCH)(OC)	H(CCC)	C(CCH)(CCO)(H)	C(CCC)(CCH)(OC)	H(CCC)	116.4290	1.875	2	116.4290	3.517	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCN)(OAl)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OAl)	H(CCC)	114.8847	0.170	3	114.8847	0.029	3	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCN)(OCu)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OCu)	H(CCC)	113.3442	2.087	6	113.3442	4.354	6	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCN)(ONi)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCN)(ONi)	H(CCC)	117.1200	3.816	2	117.1200	14.558	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCN)(OPd)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OPd)	H(CCC)	114.3415	0.071	2	114.3415	0.005	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCN)(OSn)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OSn)	H(CCC)	114.3950	0.058	2	114.3950	0.003	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OAg)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OAg)	H(CCC)	113.6960	0.041	2	113.6960	0.002	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OC)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OC)	H(CCC)	114.5134	0.485	5	114.5134	0.236	5	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OCo)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OCo)	H(CCC)	114.3195	0.141	2	114.3195	0.020	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OCu)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OCu)	H(CCC)	114.0080	0.247	4	114.0080	0.061	4	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	H(CCC)	114.8340	0.340	22	114.8340	0.116	22	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OLi)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OLi)	H(CCC)	114.0540	0.000	1	114.0540	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(ORh)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(ORh)	H(CCC)	114.3897	0.162	3	114.3897	0.026	3	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OS)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OS)	H(CCC)	115.2990	0.000	1	115.2990	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OSn)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OSn)	H(CCC)	114.5536	0.476	10	114.5536	0.227	10	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OZn)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OZn)	H(CCC)	114.2810	0.072	2	114.2810	0.005	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)2(OC)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)2(OC)	H(CCC)	115.6729	0.553	10	115.6729	0.306	10	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCH)2(OH)	H(CCC)	C(CCH)(CCO)(H)	C(CCH)2(OH)	H(CCC)	115.5962	0.339	12	115.5962	0.115	12	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(OH)	H(CCC)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(OH)	H(CCC)	117.4307	0.515	9	117.4307	0.265	9	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OC)	H(CCC)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OC)	H(CCC)	118.3257	0.731	4	118.3257	0.534	4	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OH)	H(CCC)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OH)	H(CCC)	115.5100	0.000	1	115.5100	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CCH)2(ONi)	H(CCC)	C(CCN)(CCO)(H)	C(CCH)2(ONi)	H(CCC)	116.6668	0.199	4	116.6668	0.039	4	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(CHH)(H)	C(CC[6a]H)(CCH)(OC)	H(CCC)	C(CCO)(CHH)(H)	C(CC[6a]H)(CCH)(OC)	H(CCC)	117.3470	0.000	1	117.3470	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(CNO)(H)	C(CCC)(CCH)(OC)	H(CCC)	C(CCO)(CNO)(H)	C(CCC)(CCH)(OC)	H(CCC)	117.6030	0.000	1	117.6030	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(COO)(H)	C(CCH)(COO)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CCH)(COO)(OC)	H(CCC)	115.7305	2.422	2	115.7305	5.865	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(COO)(H)	C(CCH)2(OH)	H(CCC)	C(CCO)(COO)(H)	C(CCH)2(OH)	H(CCC)	120.8090	0.000	1	120.8090	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(COO)(H)	C(CCH)2(OS)	H(CCC)	C(CCO)(COO)(H)	C(CCH)2(OS)	H(CCC)	117.5270	0.000	1	117.5270	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(COO)(H)	C(CC[5]H)(CCH)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CC[5]H)(CCH)(OC)	H(CCC)	116.3610	0.000	1	116.3610	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)2(H)	C(CCC)(CCH)(OFe)	H(CCC)	C(CCO)2(H)	C(CCC)(CCH)(OFe)	H(CCC)	116.5410	0.000	1	116.5410	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)2(H)	C(CCH)(CHH)(ORu)	H(CCC)	C(CCO)2(H)	C(CCH)(CHH)(ORu)	H(CCC)	114.8953	0.975	4	114.8953	0.951	4	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)2(H)	C(CCH)(COO)(OH)	H(CCC)	C(CCO)2(H)	C(CCH)(COO)(OH)	H(CCC)	116.7105	0.084	2	116.7105	0.007	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)2(H)	C(CCH)2(OH)	H(CCC)	C(CCO)2(H)	C(CCH)2(OH)	H(CCC)	119.5672	0.543	14	119.5672	0.295	14	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)2(H)	C(CCH)2(ORh)	H(CCC)	C(CCO)2(H)	C(CCH)2(ORh)	H(CCC)	116.3690	0.000	1	116.3690	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)2(H)	C(CCH)2(ORu)	H(CCC)	C(CCO)2(H)	C(CCH)2(ORu)	H(CCC)	116.5045	0.013	2	116.5045	0.000	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)2(H)	C(CCH)2(OZn)	H(CCC)	C(CCO)2(H)	C(CCH)2(OZn)	H(CCC)	116.6635	0.030	2	116.6635	0.001	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[5]H)(CCO)(H)	C(CCH)2(OC)	H(CCC)	C(CC[5]H)(CCO)(H)	C(CCH)2(OC)	H(CCC)	116.7945	0.228	2	116.7945	0.052	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[5a]H)(CCO)(H)	C(CCH)2(OH)	H(CCC)	C(CC[5a]H)(CCO)(H)	C(CCH)2(OH)	H(CCC)	114.6787	2.271	3	114.6787	5.157	3	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[5a]O)(CCO)(H)	C(CCH)(COO)(OH)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(CCH)(COO)(OH)	H(CCC)	120.3830	0.000	1	120.3830	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(CCH)2(OC)	H(CCC)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(CCH)2(OC)	H(CCC)	114.4815	0.515	2	114.4815	0.266	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]2)(CCO)(H)	C(CCH)2(ORh)	H(CCC)	C(CC[6a]2)(CCO)(H)	C(CCH)2(ORh)	H(CCC)	115.7320	0.000	1	115.7320	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]2)(CCO)(H)	C(CC[6a]H)(CCH)(OC)	H(CCC)	C(CC[6a]2)(CCO)(H)	C(CC[6a]H)(CCH)(OC)	H(CCC)	116.1870	0.000	1	116.1870	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]C)(CCO)(H)	C(CCH)(CCS)(OH)	H(CCC)	C(CC[6a]C)(CCO)(H)	C(CCH)(CCS)(OH)	H(CCC)	116.6380	0.000	1	116.6380	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]C)(CCO)(H)	C(CC[6a]C)(CCH)(OC)	H(CCC)	C(CC[6a]C)(CCO)(H)	C(CC[6a]C)(CCH)(OC)	H(CCC)	115.4800	0.000	1	115.4800	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCC)(CCH)(OH)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCC)(CCH)(OH)	H(CCC)	115.7730	0.000	1	115.7730	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCH)2(OB)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)2(OB)	H(CCC)	118.2185	0.786	2	118.2185	0.617	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCH)2(OC)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)2(OC)	H(CCC)	117.3030	0.000	1	117.3030	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCH)2(OFe)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)2(OFe)	H(CCC)	118.7960	0.000	1	118.7960	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCH)2(OH)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)2(OH)	H(CCC)	117.4518	2.184	20	117.4518	4.771	20	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCH)2(ORh)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)2(ORh)	H(CCC)	118.2100	0.000	1	118.2100	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCH)2(ORu)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)2(ORu)	H(CCC)	118.2340	1.181	2	118.2340	1.394	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCH)2(OS)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)2(OS)	H(CCC)	117.6310	0.000	1	117.6310	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCH)2(OZn)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCH)2(OZn)	H(CCC)	118.4760	0.107	2	118.4760	0.012	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CCH)(CCO)(OH)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CCH)(CCO)(OH)	H(CCC)	119.3410	1.140	2	119.3410	1.299	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CCH)(COO)(OH)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CCH)(COO)(OH)	H(CCC)	118.3360	0.000	1	118.3360	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CCH)2(OH)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CCH)2(OH)	H(CCC)	119.3890	1.018	8	119.3890	1.037	8	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]Rh)(CCO)(H)	C(CCH)2(ORh)	H(CCC)	C(CC[6a]Rh)(CCO)(H)	C(CCH)2(ORh)	H(CCC)	121.9800	0.000	1	121.9800	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CClC)(CCO)(H)	C(CCC)(CCH)(OH)	H(CCC)	C(CClC)(CCO)(H)	C(CCC)(CCH)(OH)	H(CCC)	114.8000	0.215	2	114.8000	0.046	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CN[5]O)(CCO)(H)	C(CCH)(CCO)(OC)	H(CCC)	C(CN[5]O)(CCO)(H)	C(CCH)(CCO)(OC)	H(CCC)	116.7110	0.021	2	116.7110	0.000	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(COsH)(CCO)(H)	C(CCH)(CCP)(OH)	H(CCC)	C(COsH)(CCO)(H)	C(CCH)(CCP)(OH)	H(CCC)	117.5880	0.000	2	117.5880	0.000	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CPtH)(CCO)(H)	C(CCH)(CHS)(OC)	H(CCC)	C(CPtH)(CCO)(H)	C(CCH)(CHS)(OC)	H(CCC)	115.4810	0.000	1	115.4810	0.000	1	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CReO)(CCO)(H)	C(CCC)(CCH)(OC)	H(CCC)	C(CReO)(CCO)(H)	C(CCC)(CCH)(OC)	H(CCC)	117.9985	0.037	2	117.9985	0.001	2	116.2842	4.340	217	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(CCH)(CCS)(H)	C(CCH)(CCO)(SC)	H(CCC)	C(CCH)(CCS)(H)	C(CCH)(CCO)(SC)	H(CCC)	115.2280	0.468	2	115.2280	0.219	2	116.2327	3.811	24	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(CCH)(CCS)(H)	C(CCH)(CCS)(SCo)	H(CCC)	C(CCH)(CCS)(H)	C(CCH)(CCS)(SCo)	H(CCC)	113.8640	0.079	4	113.8640	0.006	4	116.2327	3.811	24	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(CCS)(COO)(H)	C(CCH)(COO)(SC)	H(CCC)	C(CCS)(COO)(H)	C(CCH)(COO)(SC)	H(CCC)	117.4145	0.680	2	117.4145	0.462	2	116.2327	3.811	24	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(CC[5]H)(CCS)(H)	C(CCH)2(SAu)	H(CCC)	C(CC[5]H)(CCS)(H)	C(CCH)2(SAu)	H(CCC)	114.6740	0.183	4	114.6740	0.034	4	116.2327	3.811	24	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(CC[5]H)(CCS)(H)	C(CCH)2(SH)	H(CCC)	C(CC[5]H)(CCS)(H)	C(CCH)2(SH)	H(CCC)	115.3982	0.362	4	115.3982	0.131	4	116.2327	3.811	24	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(CC[5a]O)(CCS)(H)	C(CC[5a]O)(CCH)(SC)	H(CCC)	C(CC[5a]O)(CCS)(H)	C(CC[5a]O)(CCH)(SC)	H(CCC)	118.3380	0.041	2	118.3380	0.002	2	116.2327	3.811	24	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(CC[5a]O)(CCS)(H)	C(CC[6a]O)(CCH)(SC)	H(CCC)	C(CC[5a]O)(CCS)(H)	C(CC[6a]O)(CCH)(SC)	H(CCC)	118.2850	0.000	1	118.2850	0.000	1	116.2327	3.811	24	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(CC[6a]O)(CCS)(H)	C(CC[6a]O)(CCH)(SC)	H(CCC)	C(CC[6a]O)(CCS)(H)	C(CC[6a]O)(CCH)(SC)	H(CCC)	118.7190	0.822	5	118.7190	0.676	5	116.2327	3.811	24	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:C-2:	C-3:	C(CC[6a]C)(CCN)(H)	C(CCH)(NCC)(CN)	H(CCC)	C(CC[6a]C)(CCN)(H)	C(CCH)(NCC)(CN)	H(CCC)	114.2020	0.000	1	114.2020	0.000	1	114.2020	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:N-2:	C-3:	C(CCC)(CNN)(H)	C(CCH)(NCS)(NC)	H(CCC)	C(CCC)(CNN)(H)	C(CCH)(NCS)(NC)	H(CCC)	118.8393	0.770	3	118.8393	0.592	3	118.5407	23.219	10	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:N-2:	C-3:	C(CCH)(CNN)(H)	C(CCH)(NHH)(NO)	H(CCC)	C(CCH)(CNN)(H)	C(CCH)(NHH)(NO)	H(CCC)	115.1470	11.264	2	115.1470	126.882	2	118.5407	23.219	10	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:N-2:	C-3:	C(CC[5]H)(CNN)(H)	C(CCH)(NCC)(NS)	H(CCC)	C(CC[5]H)(CNN)(H)	C(CCH)(NCC)(NS)	H(CCC)	117.2960	0.000	1	117.2960	0.000	1	118.5407	23.219	10	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:N-2:	C-3:	C(CC[6a]C)(CNN)(H)	C(CCH)(NCC)(NS)	H(CCC)	C(CC[6a]C)(CNN)(H)	C(CCH)(NCC)(NS)	H(CCC)	118.5290	0.000	1	118.5290	0.000	1	118.5407	23.219	10	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:N-2:	C-3:	C(CC[6a]H)(CNN)(H)	C(CCH)(NCC)(NS)	H(CCC)	C(CC[6a]H)(CNN)(H)	C(CCH)(NCC)(NS)	H(CCC)	118.3050	0.000	1	118.3050	0.000	1	118.5407	23.219	10	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:N-2:	C-3:	C(CHH)(CNN)(H)	C(CCH)(NCC)(NS)	H(CCC)	C(CHH)(CNN)(H)	C(CCH)(NCC)(NS)	H(CCC)	122.2325	5.361	2	122.2325	28.736	2	118.5407	23.219	10	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:O-2:	C-3:	C(CCC)(CNO)(H)	C(CCH)(NCO)(OFe)	H(CCC)	C(CCC)(CNO)(H)	C(CCH)(NCO)(OFe)	H(CCC)	116.8060	0.791	3	116.8060	0.626	3	117.7801	1.886	7	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:O-2:	C-3:	C(CHH)(CNO)(H)	C(CCH)(NHH)(OMn)	H(CCC)	C(CHH)(CNO)(H)	C(CCH)(NHH)(OMn)	H(CCC)	119.1513	0.280	3	119.1513	0.079	3	117.7801	1.886	7	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:O-2:	C-3:	C(CHH)(CNO)(H)	C(CCH)(NHH)(ONi)	H(CCC)	C(CHH)(CNO)(H)	C(CCH)(NHH)(ONi)	H(CCC)	116.5890	0.000	1	116.5890	0.000	1	117.7801	1.886	7	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:C-2:	C-3:	C(CC[5]C)(CHH)(H)	C(C[5]C[5]2)(CCH)(CC)	H(CCC)	C(CC[5]C)(CHH)(H)	C(C[5]C[5]2)(CCH)(CC)	H(CCC)	117.6410	0.000	1	117.6410	0.000	1	117.6410	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:	C(CC[5]O)(CCC)(H)	C(C[5]C[5]2)(CCH)(OC)	H(CCC)	C(CC[5]O)(CCC)(H)	C(C[5]C[5]2)(CCH)(OC)	H(CCC)	115.4970	0.000	1	115.4970	0.000	1	117.7534	2.559	22	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6]C[5])(CCH)(OC)	H(CCC)	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6]C[5])(CCH)(OC)	H(CCC)	116.4260	0.000	1	116.4260	0.000	1	117.7534	2.559	22	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCH)(OC)	H(CCC)	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCH)(OC)	H(CCC)	115.6960	0.000	1	115.6960	0.000	1	117.7534	2.559	22	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2)(CCH)(OC)	H(CCC)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2)(CCH)(OC)	H(CCC)	115.8320	0.175	2	115.8320	0.031	2	117.7534	2.559	22	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2)(CCH)(OH)	H(CCC)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2)(CCH)(OH)	H(CCC)	118.3270	0.000	1	118.3270	0.000	1	117.7534	2.559	22	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2)(CCH)(OH)	H(CCC)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2)(CCH)(OH)	H(CCC)	116.8775	0.185	2	116.8775	0.034	2	117.7534	2.559	22	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2)(CCH)(ORu)	H(CCC)	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2)(CCH)(ORu)	H(CCC)	120.8470	0.000	1	120.8470	0.000	1	117.7534	2.559	22	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(C[5]C[5]S[5])(CCH)(ONi)	H(CCC)	C(CC[5]O)(CCO)(H)	C(C[5]C[5]S[5])(CCH)(ONi)	H(CCC)	114.5000	0.000	1	114.5000	0.000	1	117.7534	2.559	22	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(C[5]S[5]2)(CCH)(ONi)	H(CCC)	C(CC[5]O)(CCO)(H)	C(C[5]S[5]2)(CCH)(ONi)	H(CCC)	117.3400	0.000	1	117.3400	0.000	1	117.7534	2.559	22	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2)(CCH)(OC)	H(CCC)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2)(CCH)(OC)	H(CCC)	118.4750	0.000	1	118.4750	0.000	1	117.7534	2.559	22	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2)(CCH)(OH)	H(CCC)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2)(CCH)(OH)	H(CCC)	118.8048	0.400	10	118.8048	0.160	10	117.7534	2.559	22	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:N-2:	C-3:	C(CC[5a]N)(CCH)(H)	C(C[5a]N[5a]2)(CCH)(NC)	H(CCC)	C(CC[5a]N)(CCH)(H)	C(C[5a]N[5a]2)(CCH)(NC)	H(CCC)	106.7470	0.000	1	106.7470	0.000	1	106.7470	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-3:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OCu)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OCu)	H(CCC)	118.6090	0.000	1	118.6090	0.000	1	118.5322	4.650	9	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-3:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OIr)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OIr)	H(CCC)	116.6300	0.000	1	116.6300	0.000	1	118.5322	4.650	9	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-3:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(ONi)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(ONi)	H(CCC)	118.3160	0.000	1	118.3160	0.000	1	118.5322	4.650	9	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-3:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OPd)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OPd)	H(CCC)	117.8250	0.294	2	117.8250	0.087	2	118.5322	4.650	9	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-3:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(ORu)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(ORu)	H(CCC)	118.4150	0.000	1	118.4150	0.000	1	118.5322	4.650	9	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-3:	C(CC[5a]O)(COsC)(H)	C(C[5a]C[5a]S[5a])(CCH)(OOs)	H(CCC)	C(CC[5a]O)(COsC)(H)	C(C[5a]C[5a]S[5a])(CCH)(OOs)	H(CCC)	122.8480	0.000	1	122.8480	0.000	1	118.5322	4.650	9	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-3:	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]O[5a])(CCH)(OCu)	H(CCC)	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]O[5a])(CCH)(OCu)	H(CCC)	115.5600	0.000	1	115.5600	0.000	1	118.5322	4.650	9	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-3:	C(CC[5a]O)2(H)	C(C[5a]C[5a]O[5a])(CCH)(OH)	H(CCC)	C(CC[5a]O)2(H)	C(C[5a]C[5a]O[5a])(CCH)(OH)	H(CCC)	120.7620	0.000	1	120.7620	0.000	1	118.5322	4.650	9	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:S-2:	C-3:	C(CC[5a]S)(CCO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(SC)	H(CCC)	C(CC[5a]S)(CCO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(SC)	H(CCC)	115.2710	0.000	1	115.2710	0.000	1	115.2710	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(OFe)	H(CCC)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(OFe)	H(CCC)	118.3653	0.423	3	118.3653	0.179	3	118.5160	2.390	14	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(OIr)	H(CCC)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(OIr)	H(CCC)	116.4230	0.000	1	116.4230	0.000	1	118.5160	2.390	14	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(ORu)	H(CCC)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(ORu)	H(CCC)	117.1575	0.467	2	117.1575	0.218	2	118.5160	2.390	14	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(OCo)	H(CCC)	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(OCo)	H(CCC)	120.1620	0.000	1	120.1620	0.000	1	118.5160	2.390	14	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(OMn)	H(CCC)	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(OMn)	H(CCC)	120.3860	0.000	1	120.3860	0.000	1	118.5160	2.390	14	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(ONi)	H(CCC)	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(ONi)	H(CCC)	120.3490	0.000	1	120.3490	0.000	1	118.5160	2.390	14	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:	C(CC[6]O)(CSS)(H)	C(C[6]C[6]2)(CCH)(OPt)	H(CCC)	C(CC[6]O)(CSS)(H)	C(C[6]C[6]2)(CCH)(OPt)	H(CCC)	115.7480	0.000	1	115.7480	0.000	1	118.5160	2.390	14	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:	C(CC[6]O)2(H)	C(C[6]C[6]N[6])(CCH)(ONi)	H(CCC)	C(CC[6]O)2(H)	C(C[6]C[6]N[6])(CCH)(ONi)	H(CCC)	118.7085	0.025	2	118.7085	0.001	2	118.5160	2.390	14	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:	C(CC[6a]H)(CC[6]O)(H)	C(C[6]C[6]2)(CCH)(OH)	H(CCC)	C(CC[6a]H)(CC[6]O)(H)	C(C[6]C[6]2)(CCH)(OH)	H(CCC)	119.6640	1.556	2	119.6640	2.420	2	118.5160	2.390	14	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CC)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CC)	H(CCC)	113.7865	0.120	2	113.7865	0.014	2	117.4108	8.673	8	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CFe)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CFe)	H(CCC)	122.8930	0.000	1	122.8930	0.000	1	117.4108	8.673	8	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CN)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CN)	H(CCC)	117.2605	0.513	2	117.2605	0.263	2	117.4108	8.673	8	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(CN)	H(CCC)	C(CC[6a]C)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(CN)	H(CCC)	116.9260	0.000	1	116.9260	0.000	1	117.4108	8.673	8	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(CC)	H(CCC)	C(CC[6a]C)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(CC)	H(CCC)	118.1520	0.000	1	118.1520	0.000	1	117.4108	8.673	8	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(CN)	H(CCC)	C(CC[6a]C)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(CN)	H(CCC)	119.2210	0.000	1	119.2210	0.000	1	117.4108	8.673	8	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[5a]C[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NO)	H(CCC)	C(CC[5a]C[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NO)	H(CCC)	117.4670	0.525	2	117.4670	0.275	2	117.2030	1.217	25	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[5a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	C(CC[5a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	117.8820	0.000	1	117.8820	0.000	1	117.2030	1.217	25	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	C(CC[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	116.5480	0.281	2	116.5480	0.079	2	117.2030	1.217	25	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	117.4727	0.247	7	117.4727	0.061	7	117.2030	1.217	25	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NO)	H(CCC)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NO)	H(CCC)	117.8873	0.680	6	117.8873	0.462	6	117.2030	1.217	25	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	117.6840	0.000	1	117.6840	0.000	1	117.2030	1.217	25	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NS)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NS)	H(CCC)	118.0390	0.000	1	118.0390	0.000	1	117.2030	1.217	25	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(NSi)	H(CCC)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(NSi)	H(CCC)	116.7480	0.000	1	116.7480	0.000	1	117.2030	1.217	25	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	115.5600	0.000	1	115.5600	0.000	1	117.2030	1.217	25	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NC)	H(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NC)	H(CCC)	116.4620	1.817	2	116.4620	3.302	2	117.2030	1.217	25	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]N)(CN[6]C)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	C(CC[6a]N)(CN[6]C)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	113.5760	0.000	1	113.5760	0.000	1	117.2030	1.217	25	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	118.6335	0.291	2	118.6335	0.084	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[5a]O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	C(CC[5a]O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	119.7028	0.253	5	119.7028	0.064	5	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[5a]O)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	H(CCC)	C(CC[5a]O)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	H(CCC)	119.4720	0.000	1	119.4720	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	118.4043	0.607	3	118.4043	0.368	3	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OB)	H(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OB)	H(CCC)	114.5680	0.000	1	114.5680	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	116.4930	1.819	2	116.4930	3.308	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	116.5010	0.000	1	116.5010	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OS)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OS)	H(CCC)	117.1795	0.370	2	117.1795	0.137	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(OPd)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(OPd)	H(CCC)	116.3250	0.323	3	116.3250	0.104	3	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	H(CCC)	116.0061	0.775	12	116.0061	0.601	12	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCr)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCr)	H(CCC)	117.3600	0.000	1	117.3600	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	H(CCC)	117.0629	0.548	7	117.0629	0.300	7	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	H(CCC)	116.7840	0.190	2	116.7840	0.036	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	117.8915	0.240	2	117.8915	0.057	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	H(CCC)	117.3010	0.167	2	117.3010	0.028	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OMo)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OMo)	H(CCC)	116.4140	0.627	3	116.4140	0.393	3	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	117.1248	0.720	12	117.1248	0.518	12	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	116.7040	0.000	1	116.7040	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	H(CCC)	116.4450	1.177	5	116.4450	1.386	5	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	119.6995	1.341	2	119.6995	1.799	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCd)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCd)	H(CCC)	116.4385	0.206	2	116.4385	0.042	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	H(CCC)	117.7139	0.300	9	117.7139	0.090	9	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCr)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCr)	H(CCC)	117.7380	0.000	1	117.7380	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	H(CCC)	117.8685	0.433	20	117.8685	0.188	20	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	H(CCC)	118.6967	0.179	9	118.6967	0.032	9	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	119.8777	0.352	11	119.8777	0.124	11	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OIr)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OIr)	H(CCC)	115.5270	0.000	1	115.5270	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	H(CCC)	117.3252	1.409	13	117.3252	1.986	13	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	117.4581	0.699	8	117.4581	0.489	8	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPd)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPd)	H(CCC)	116.5820	0.468	4	116.5820	0.219	4	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	H(CCC)	116.8495	0.251	2	116.8495	0.063	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORh)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORh)	H(CCC)	116.8670	0.000	1	116.8670	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	118.0473	0.281	4	118.0473	0.079	4	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	H(CCC)	117.1150	0.172	6	117.1150	0.030	6	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CCP)(H)	C(C[6a]C[6a]2)(CCH)(OB)	H(CCC)	C(CC[6a]O)(CCP)(H)	C(C[6a]C[6a]2)(CCH)(OB)	H(CCC)	117.1510	0.215	3	117.1510	0.046	3	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	H(CCC)	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	H(CCC)	117.0445	0.042	2	117.0445	0.002	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	119.9137	0.471	7	119.9137	0.222	7	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	H(CCC)	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	H(CCC)	119.3660	0.000	1	119.3660	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	117.0460	0.000	1	117.0460	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a,6a]2)(CCH)(ONi)	H(CCC)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a,6a]2)(CCH)(ONi)	H(CCC)	118.1050	0.000	1	118.1050	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(ONi)	H(CCC)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(ONi)	H(CCC)	118.6895	0.390	2	118.6895	0.152	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	118.4317	0.167	3	118.4317	0.028	3	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	116.6875	0.155	2	116.6875	0.024	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CIrC)(H)	C(C[6a]C[6a]2)(CCH)(OIr)	H(CCC)	C(CC[6a]O)(CIrC)(H)	C(C[6a]C[6a]2)(CCH)(OIr)	H(CCC)	123.4370	0.000	1	123.4370	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	C(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	114.0890	2.715	3	114.0890	7.371	3	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	C(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	116.5480	0.000	1	116.5480	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	115.2170	2.407	9	115.2170	5.793	9	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	119.6277	0.134	3	119.6277	0.018	3	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]2)(CCH)(OH)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]2)(CCH)(OH)	H(CCC)	116.8670	0.000	1	116.8670	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	H(CCC)	115.4600	0.109	2	115.4600	0.012	2	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	117.5750	1.606	4	117.5750	2.580	4	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	116.9278	0.194	9	116.9278	0.038	9	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPd)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPd)	H(CCC)	115.6630	0.000	1	115.6630	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	H(CCC)	115.8066	0.587	16	115.8066	0.345	16	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	116.6870	0.000	1	116.6870	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OAl)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OAl)	H(CCC)	118.6385	0.328	13	118.6385	0.108	13	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCd)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCd)	H(CCC)	116.5798	0.120	4	116.5798	0.014	4	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCo)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCo)	H(CCC)	117.3072	0.516	22	117.3072	0.267	22	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCr)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCr)	H(CCC)	118.1945	0.353	15	118.1945	0.124	15	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCu)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCu)	H(CCC)	118.5199	0.454	47	118.5199	0.206	47	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OFe)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OFe)	H(CCC)	118.6824	0.105	5	118.6824	0.011	5	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(CCC)	119.5353	1.075	32	119.5353	1.156	32	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OIr)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OIr)	H(CCC)	116.0746	0.368	9	116.0746	0.135	9	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OMn)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OMn)	H(CCC)	118.0848	1.562	6	118.0848	2.439	6	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	117.4379	0.640	36	117.4379	0.410	36	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OOs)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OOs)	H(CCC)	117.2677	0.459	6	117.2677	0.211	6	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPd)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPd)	H(CCC)	116.5627	0.138	4	116.5627	0.019	4	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPt)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPt)	H(CCC)	116.5582	0.415	20	116.5582	0.172	20	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ORh)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ORh)	H(CCC)	116.6857	0.265	6	116.6857	0.070	6	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ORu)	H(CCC)	116.8718	0.566	4	116.8718	0.320	4	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OS)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OS)	H(CCC)	116.8410	0.000	1	116.8410	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OZn)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OZn)	H(CCC)	117.1145	0.431	6	117.1145	0.186	6	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(OFe)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(OFe)	H(CCC)	118.7000	0.000	1	118.7000	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	H(CCC)	119.5010	0.000	1	119.5010	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]Os)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OOs)	H(CCC)	C(CC[6a]Os)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OOs)	H(CCC)	119.9130	0.000	1	119.9130	0.000	1	117.6441	1.974	472	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[5a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	C(CC[5a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	117.4555	0.068	4	117.4555	0.005	4	116.4858	2.437	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	118.1850	0.000	1	118.1850	0.000	1	116.4858	2.437	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(SPt)	H(CCC)	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(SPt)	H(CCC)	115.5240	0.000	1	115.5240	0.000	1	116.4858	2.437	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	116.3280	0.000	1	116.3280	0.000	1	116.4858	2.437	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	C(CC[6a]S)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	116.5555	0.030	2	116.5555	0.001	2	116.4858	2.437	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	C(CC[6a]S)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(SC)	H(CCC)	119.8030	0.000	1	119.8030	0.000	1	116.4858	2.437	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(SNi)	H(CCC)	C(CC[6a]S)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(SNi)	H(CCC)	115.1667	1.224	6	115.1667	1.498	6	116.4858	2.437	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:C-3:O-2:	C-3:	C(CCH)(CNO)(H)	C(NFeN)(CCH)(OFe)	H(CCC)	C(CCH)(CNO)(H)	C(NFeN)(CCH)(OFe)	H(CCC)	117.1707	1.320	3	117.1707	1.741	3	118.0187	2.468	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:C-3:O-2:	C-3:	C(CC[6a]H)(CNO)(H)	C(NC[5]H)(CCH)(OCd)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(NC[5]H)(CCH)(OCd)	H(CCC)	117.9233	1.505	3	117.9233	2.266	3	118.0187	2.468	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:C-3:O-2:	C-3:	C(CC[6a]H)(CNO)(H)	C(NC[5a]H)(CCH)(OMn)	H(CCC)	C(CC[6a]H)(CNO)(H)	C(NC[5a]H)(CCH)(OMn)	H(CCC)	118.1960	0.000	1	118.1960	0.000	1	118.0187	2.468	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:C-3:O-2:	C-3:	C(CHH)(CNO)(H)	C(NC[6]H)(CCH)(OH)	H(CCC)	C(CHH)(CNO)(H)	C(NC[6]H)(CCH)(OH)	H(CCC)	117.8525	2.222	2	117.8525	4.939	2	118.0187	2.468	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:C-3:O-2:	C-3:	C(CHH)(CNO)(H)	C(NFeH)(CCH)(OFe)	H(CCC)	C(CHH)(CNO)(H)	C(NFeH)(CCH)(OFe)	H(CCC)	118.8550	0.000	1	118.8550	0.000	1	118.0187	2.468	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:C-3:O-2:	C-3:	C(CHN)(CNO)(H)	C(NZnH)(CCH)(OC)	H(CCC)	C(CHN)(CNO)(H)	C(NZnH)(CCH)(OC)	H(CCC)	121.2040	0.000	1	121.2040	0.000	1	118.0187	2.468	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:C-3:O-2:	C-3:	C(CNO)2(H)	C(NC[6a]Rh)(CCH)(OC)	H(CCC)	C(CNO)2(H)	C(NC[6a]Rh)(CCH)(OC)	H(CCC)	116.9830	0.000	1	116.9830	0.000	1	118.0187	2.468	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-2:	C-3:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(CCH)(OCu)	H(CCC)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(CCH)(OCu)	H(CCC)	120.0730	0.000	1	120.0730	0.000	1	119.2000	1.783	5	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N[5]-3:C-3:O-2:	C-3:	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(OSi)	H(CCC)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(OSi)	H(CCC)	118.9818	1.435	4	118.9818	2.060	4	119.2000	1.783	5	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N[6]-3:C-3:C-2:	C-3:	C(CC[6a]N)(CN[6]C)(H)	C(N[6]C[6]N[6])(CCH)(CN)	H(CCC)	C(CC[6a]N)(CN[6]C)(H)	C(N[6]C[6]N[6])(CCH)(CN)	H(CCC)	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N[6]-3:C-3:N-2:	C-3:	C(CN[6]N)(CCN)(H)	C(N[6]C[6]2)(CCH)(NH)	H(CCC)	C(CN[6]N)(CCN)(H)	C(N[6]C[6]2)(CCH)(NH)	H(CCC)	117.1940	0.000	1	117.1940	0.000	1	117.7260	0.220	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N[6]-3:C-3:N-2:	C-3:	C(CN[6]N)(CHH)(H)	C(N[6]C[6]2)(CCH)(NS)	H(CCC)	C(CN[6]N)(CHH)(H)	C(N[6]C[6]2)(CCH)(NS)	H(CCC)	117.9920	0.124	2	117.9920	0.015	2	117.7260	0.220	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	O-3:C-3:O-2:	C-3:	C(CCH)(COO)(H)	C(OCo2)(CCH)(OCo)	H(CCC)	C(CCH)(COO)(H)	C(OCo2)(CCH)(OCo)	H(CCC)	116.7590	0.000	1	116.7590	0.000	1	116.7590	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(NCC)(H)	C(CC[5a]O)(CHN)(CN)	H(CCN)	C(CCC)(NCC)(H)	C(CC[5a]O)(CHN)(CN)	H(CCN)	115.0290	0.000	1	115.0290	0.000	1	115.4106	1.629	8	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(NCC)(H)	C(CHN)(CNO)(CN)	H(CCN)	C(CCC)(NCC)(H)	C(CHN)(CNO)(CN)	H(CCN)	114.3643	0.361	3	114.3643	0.130	3	115.4106	1.629	8	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(NCC)(H)	C(CHN)(COO)(CN)	H(CCN)	C(CCC)(NCC)(H)	C(CHN)(COO)(CN)	H(CCN)	114.5010	0.000	1	114.5010	0.000	1	115.4106	1.629	8	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(NCH)(H)	C(CHN)(COO)(CN)	H(CCN)	C(CCC)(NCH)(H)	C(CHN)(COO)(CN)	H(CCN)	117.0740	0.365	2	117.0740	0.133	2	115.4106	1.629	8	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C-3:C-3:C-2:	C-3:	C(CCC)(NHH)(H)	C(CHN)(COO)(CN)	H(CCN)	C(CCC)(NHH)(H)	C(CHN)(COO)(CN)	H(CCN)	116.5140	0.000	1	116.5140	0.000	1	115.4106	1.629	8	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C-3:C-3:N-2:	C-3:	C(CCN)(NCC)(H)	C(CHN)(CNO)(NC)	H(CCN)	C(CCN)(NCC)(H)	C(CHN)(CNO)(NC)	H(CCN)	109.5440	1.611	2	109.5440	2.595	2	109.5440	2.595	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(NCC)(H)	C(CCO)(CHN)(OC)	H(CCN)	C(CCO)(NCC)(H)	C(CCO)(CHN)(OC)	H(CCN)	114.5350	0.000	1	114.5350	0.000	1	116.4040	6.986	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCO)(NCH)(H)	C(CCO)(CHN)(OC)	H(CCN)	C(CCO)(NCH)(H)	C(CCO)(CHN)(OC)	H(CCN)	118.2730	0.000	1	118.2730	0.000	1	116.4040	6.986	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C-3:C-3:S-2:	C-3:	C(CCS)(NHH)(H)	C(CC[6a]O)(CHN)(SC)	H(CCN)	C(CCS)(NHH)(H)	C(CC[6a]O)(CHN)(SC)	H(CCN)	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C-3:N-3:C-2:	C-3:	C(CCN)(NCC)(H)	C(CHN)(NCC)(CN)	H(CCN)	C(CCN)(NCC)(H)	C(CHN)(NCC)(CN)	H(CCN)	114.6570	0.086	3	114.6570	0.007	3	114.6570	0.007	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C-3:N-3:S-2:	C-3:	C(CNS)(NOO)(H)	C(CHN)(NCH)(SC)	H(CCN)	C(CNS)(NOO)(H)	C(CHN)(NCH)(SC)	H(CCN)	118.0760	0.000	1	118.0760	0.000	1	118.0760	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(CC[5a]C)(NCC)(H)	C(C[5a]N[5a]S[5a])(CHN)(CN)	H(CCN)	C(CC[5a]C)(NCC)(H)	C(C[5a]N[5a]S[5a])(CHN)(CN)	H(CCN)	114.5070	0.000	1	114.5070	0.000	1	114.5070	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6]-3:C-3:C-2:	C-3:	C(CC[6]C)(NC[6]H)(H)	C(C[6]C[6]N[6])(CHN)(CN)	H(CCN)	C(CC[6]C)(NC[6]H)(H)	C(C[6]C[6]N[6])(CHN)(CN)	H(CCN)	115.8680	0.000	1	115.8680	0.000	1	115.8680	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(CN)	H(CCN)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(CN)	H(CCN)	116.4465	0.059	2	116.4465	0.003	2	116.5592	0.021	4	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]N[6a])(CHN)(CN)	H(CCN)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]N[6a])(CHN)(CN)	H(CCN)	116.6090	0.000	1	116.6090	0.000	1	116.5592	0.021	4	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(NC[6]H)(H)	C(C[6a]C[6a]N[6a])(CHN)(CN)	H(CCN)	C(CC[6a]C)(NC[6]H)(H)	C(C[6a]C[6a]N[6a])(CHN)(CN)	H(CCN)	116.7350	0.000	1	116.7350	0.000	1	116.5592	0.021	4	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	H(CCN)	C(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	H(CCN)	116.6303	1.309	4	116.6303	1.715	4	120.2428	7.810	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(CHN)(OCo)	H(CCN)	C(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(CHN)(OCo)	H(CCN)	121.6400	0.115	3	121.6400	0.013	3	120.2428	7.810	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(NNiC)(H)	C(C[6a]C[6a]2)(CHN)(ONi)	H(CCN)	C(CC[6a]O)(NNiC)(H)	C(C[6a]C[6a]2)(CHN)(ONi)	H(CCN)	121.9110	0.448	3	121.9110	0.201	3	120.2428	7.810	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(OMn)	H(CCN)	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(OMn)	H(CCN)	122.6180	0.000	1	122.6180	0.000	1	120.2428	7.810	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(NPtO)(H)	C(C[6a]C[6a]2)(CHN)(OPt)	H(CCN)	C(CC[6a]O)(NPtO)(H)	C(C[6a]C[6a]2)(CHN)(OPt)	H(CCN)	123.1210	0.000	1	123.1210	0.000	1	120.2428	7.810	12	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(CC[6a]S)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(SC)	H(CCN)	C(CC[6a]S)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(SC)	H(CCN)	120.9470	0.000	1	120.9470	0.000	1	120.9470	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	N[5]-3:C-3:O-2:	C-3:	C(CN[5]O)(NCS)(H)	C(N[5]C[5]2)(CHN)(OC)	H(CCN)	C(CN[5]O)(NCS)(H)	C(N[5]C[5]2)(CHN)(OC)	H(CCN)	115.6175	2.121	2	115.6175	4.497	2	115.6175	4.497	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CCC)(CN)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CCC)(CN)	H(CC[5]C)	115.0060	0.000	1	115.0060	0.000	1	115.3927	0.113	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CCH)(CC)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CCH)(CC)	H(CC[5]C)	115.5510	0.000	1	115.5510	0.000	1	115.3927	0.113	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(COO)(CN)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(COO)(CN)	H(CC[5]C)	115.6210	0.000	1	115.6210	0.000	1	115.3927	0.113	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[5]C[5,6a]C[5])(CCO)(H)	C(CC[5]H)(CCH)(OC)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CCO)(H)	C(CC[5]H)(CCH)(OC)	H(CC[5]C)	113.9140	0.000	1	113.9140	0.000	1	113.9140	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-3:	C(C[5]N[5]O[5])(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(CC[5]H)(ONi)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(CC[5]H)(ONi)	H(CC[5]C)	118.6130	0.222	2	118.6130	0.049	2	118.6130	0.049	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[5]C[5]N[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	H(CC[5]C)	115.5110	0.209	2	115.5110	0.044	2	116.6535	2.234	4	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[5]N[5]S[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	H(CC[5]C)	116.9480	0.000	1	116.9480	0.000	1	116.6535	2.234	4	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[5]Se[5]N[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	H(CC[5]C)	C(C[5]Se[5]N[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	H(CC[5]C)	118.6440	0.000	1	118.6440	0.000	1	116.6535	2.234	4	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(C[5]N[5]S[5])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5]H)(NC[6a])	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5]H)(NC[6a])	H(CC[5]C)	119.4105	0.062	2	119.4105	0.004	2	119.4105	0.004	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OC)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OC)	H(CC[5]C)	114.3987	0.322	3	114.3987	0.104	3	117.5536	4.175	11	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[5]N[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OCu)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OCu)	H(CC[5]C)	118.8530	0.151	2	118.8530	0.023	2	117.5536	4.175	11	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[5]N[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(ONi)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(ONi)	H(CC[5]C)	118.6980	0.293	6	118.6980	0.086	6	117.5536	4.175	11	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CC[5a]H)(COO)(CN)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CC[5a]H)(COO)(CN)	H(CC[5a]C)	114.4450	0.000	1	114.4450	0.000	1	115.4669	0.989	19	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(COO)(CN)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(COO)(CN)	H(CC[5a]C)	115.1655	0.093	2	115.1655	0.009	2	115.4669	0.989	19	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CCO)(CN)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CCO)(CN)	H(CC[5a]C)	118.1140	0.000	1	118.1140	0.000	1	115.4669	0.989	19	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CHN)(CN)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CHN)(CN)	H(CC[5a]C)	116.7410	0.000	1	116.7410	0.000	1	115.4669	0.989	19	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CNO)(CN)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CNO)(CN)	H(CC[5a]C)	116.3885	0.944	2	116.3885	0.891	2	115.4669	0.989	19	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(COO)(CN)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(COO)(CN)	H(CC[5a]C)	115.1488	0.348	5	115.1488	0.121	5	115.4669	0.989	19	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CHN)(CN)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CHN)(CN)	H(CC[5a]C)	114.9190	0.000	1	114.9190	0.000	1	115.4669	0.989	19	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(COO)(CN)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(COO)(CN)	H(CC[5a]C)	115.1658	0.917	5	115.1658	0.841	5	115.4669	0.989	19	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[5a]N[5a]2)(CCC)(H)	C(CC[5a]H)(COO)(CN)	H(CC[5a]C)	C(C[5a]N[5a]2)(CCC)(H)	C(CC[5a]H)(COO)(CN)	H(CC[5a]C)	114.9720	0.000	1	114.9720	0.000	1	115.4669	0.989	19	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(C[5a]C[5a]N[5a])(CCN)(H)	C(CC[5a]H)(CC[6a]O)(NC)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCN)(H)	C(CC[5a]H)(CC[6a]O)(NC)	H(CC[5a]C)	116.2150	0.000	1	116.2150	0.000	1	114.9457	1.578	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(C[5a]C[5a]N[5a])(CCN)(H)	C(CC[5a]H)(COO)(NC)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCN)(H)	C(CC[5a]H)(COO)(NC)	H(CC[5a]C)	114.3110	0.860	2	114.3110	0.739	2	114.9457	1.578	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CC[5a]H)(COO)(OH)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CC[5a]H)(COO)(OH)	H(CC[5a]C)	116.8655	0.319	2	116.8655	0.102	2	116.2930	1.034	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CC[5a]H)(COO)(OS)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CC[5a]H)(COO)(OS)	H(CC[5a]C)	115.1480	0.000	1	115.1480	0.000	1	116.2930	1.034	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(C[5a]C[5a]O[5a])(CCS)(H)	C(CC[5a]H)(COO)(SAg)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCS)(H)	C(CC[5a]H)(COO)(SAg)	H(CC[5a]C)	115.6950	0.000	1	115.6950	0.000	1	115.4106	0.158	5	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(C[5a]C[5a]O[5a])(CCS)(H)	C(CC[5a]H)(COO)(SZn)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCS)(H)	C(CC[5a]H)(COO)(SZn)	H(CC[5a]C)	115.5460	0.314	2	115.5460	0.099	2	115.4106	0.158	5	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(C[5a]C[5a]S[5a])(CCS)(H)	C(CC[5a]H)(COO)(SZn)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCS)(H)	C(CC[5a]H)(COO)(SZn)	H(CC[5a]C)	115.1330	0.513	2	115.1330	0.264	2	115.4106	0.158	5	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C-3:N-3:C-2:	C-3:	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CC[5a]H)(NCS)(CC)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CC[5a]H)(NCS)(CC)	H(CC[5a]C)	115.3495	0.015	2	115.3495	0.000	2	115.3495	0.000	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(C[5a]C[5a,6]N[5a])(CC[5a]C)(H)	C(C[5a]C[5a,6]S[5a])(CC[5a]H)(CN)	H(CC[5a]C)	C(C[5a]C[5a,6]N[5a])(CC[5a]C)(H)	C(C[5a]C[5a,6]S[5a])(CC[5a]H)(CN)	H(CC[5a]C)	115.1200	0.000	1	115.1200	0.000	1	113.8618	10.612	6	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(C[5a]C[5a]N[5a])(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[5a]H)(CN)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[5a]H)(CN)	H(CC[5a]C)	112.6950	0.000	1	112.6950	0.000	1	113.8618	10.612	6	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	C(C[5a]C[5a]O[5a])(CC[5a]H)(CN)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	C(C[5a]C[5a]O[5a])(CC[5a]H)(CN)	H(CC[5a]C)	115.8465	0.449	2	115.8465	0.202	2	113.8618	10.612	6	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	C(C[5a]N[5a]O[5a])(CC[5a]H)(CN)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	C(C[5a]N[5a]O[5a])(CC[5a]H)(CN)	H(CC[5a]C)	107.7210	0.000	1	107.7210	0.000	1	113.8618	10.612	6	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(C[5a]C[5a]S[5a])(CC[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[5a]H)(CN)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[5a]H)(CN)	H(CC[5a]C)	115.9420	0.000	1	115.9420	0.000	1	113.8618	10.612	6	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	H(CC[5a]C)	115.3185	1.218	2	115.3185	1.484	2	115.0933	0.644	15	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[5a]C[5a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	H(CC[5a]C)	C(C[5a]C[5a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	H(CC[5a]C)	115.1950	0.000	1	115.1950	0.000	1	115.0933	0.644	15	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	H(CC[5a]C)	115.5425	0.057	2	115.5425	0.003	2	115.0933	0.644	15	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	H(CC[5a]C)	115.6335	0.638	4	115.6335	0.407	4	115.0933	0.644	15	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	H(CC[5a]C)	114.4913	0.700	6	114.4913	0.490	6	115.0933	0.644	15	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(C[5a]C[5a,6a]O[5a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5a]H)(NC[6a])	H(CC[5a]C)	C(C[5a]C[5a,6a]O[5a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5a]H)(NC[6a])	H(CC[5a]C)	116.3720	0.000	1	116.3720	0.000	1	116.3720	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	H(CC[5a]C)	117.1866	0.515	5	117.1866	0.265	5	117.1953	0.568	7	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	H(CC[5a]C)	118.3000	0.000	1	118.3000	0.000	1	117.1953	0.568	7	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[5a]N[5a]O[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	H(CC[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	H(CC[5a]C)	116.1340	0.000	1	116.1340	0.000	1	117.1953	0.568	7	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(C[5a]N[5a]S[5a])(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[5a]H)(SC[6a])	H(CC[5a]C)	C(C[5a]N[5a]S[5a])(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[5a]H)(SC[6a])	H(CC[5a]C)	116.7990	0.000	1	116.7990	0.000	1	116.7990	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(COO)(CN)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(COO)(CN)	H(CC[6]C)	116.4270	0.000	1	116.4270	0.000	1	116.4270	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6]C[6]2)(CCO)(H)	C(CC[6]H)(CCH)(OH)	H(CC[6]C)	C(C[6]C[6]2)(CCO)(H)	C(CC[6]H)(CCH)(OH)	H(CC[6]C)	113.0948	0.414	9	113.0948	0.171	9	113.0948	0.171	9	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CC)	H(CC[6]C)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CC)	H(CC[6]C)	116.4965	0.081	2	116.4965	0.007	2	116.4965	0.007	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(C[6]C[6]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NC[6a])	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NC[6a])	H(CC[6]C)	117.1940	0.000	1	117.1940	0.000	1	117.1940	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OAl)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OAl)	H(CC[6]C)	116.5696	0.327	8	116.5696	0.107	8	116.1389	0.749	13	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OCu)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OCu)	H(CC[6]C)	116.5380	0.649	2	116.5380	0.421	2	116.1389	0.749	13	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OZn)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OZn)	H(CC[6]C)	114.7243	0.072	3	114.7243	0.005	3	116.1389	0.749	13	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	B[5]-3:C-3:S-2:	C-3:	C(C[6a]C[6a]2)(CB[5]S)(H)	C(B[5]O[5]2)(CC[6a]H)(SC[6a])	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[5]S)(H)	C(B[5]O[5]2)(CC[6a]H)(SC[6a])	H(CC[6a]C)	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6a]C[6a,6a]C[6,6a])(CCC)(H)	C(CC[6a]H)(COO)(CN)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6,6a])(CCC)(H)	C(CC[6a]H)(COO)(CN)	H(CC[6a]C)	114.1900	0.000	1	114.1900	0.000	1	114.4562	1.957	87	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(COO)(CN)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(COO)(CN)	H(CC[6a]C)	114.1210	4.489	7	114.1210	20.148	7	114.4562	1.957	87	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5a]O)(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5a]O)(CC[6a]H)(CN)	H(CC[6a]C)	115.1170	0.000	1	115.1170	0.000	1	114.4562	1.957	87	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CC[6a]H)(CC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CC[6a]H)(CC)	H(CC[6a]C)	114.5353	0.405	8	114.5353	0.164	8	114.4562	1.957	87	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCH)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCH)(CN)	H(CC[6a]C)	114.3735	0.107	2	114.3735	0.011	2	114.4562	1.957	87	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(CN)	H(CC[6a]C)	116.8220	0.000	1	116.8220	0.000	1	114.4562	1.957	87	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHO)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHO)(CN)	H(CC[6a]C)	113.8740	0.000	1	113.8740	0.000	1	114.4562	1.957	87	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CNO)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CNO)(CN)	H(CC[6a]C)	114.0726	0.606	18	114.0726	0.368	18	114.4562	1.957	87	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CNS)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CNS)(CN)	H(CC[6a]C)	114.0968	0.408	5	114.0968	0.166	5	114.4562	1.957	87	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(COO)(CC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(COO)(CC)	H(CC[6a]C)	114.7070	2.093	2	114.7070	4.381	2	114.4562	1.957	87	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(COO)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(COO)(CN)	H(CC[6a]C)	114.6489	0.753	41	114.6489	0.567	41	114.4562	1.957	87	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCN)(NC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCN)(NC)	H(CC[6a]C)	114.3090	0.000	1	114.3090	0.000	1	115.0977	0.264	7	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(COO)(NP)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(COO)(NP)	H(CC[6a]C)	115.2292	0.414	6	115.2292	0.171	6	115.0977	0.264	7	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]H)(CCO)(OC)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]H)(CCO)(OC)	H(CC[6a]C)	112.9765	0.156	2	112.9765	0.024	2	114.9746	2.040	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCC)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCC)(OC)	H(CC[6a]C)	115.9530	0.000	1	115.9530	0.000	1	114.9746	2.040	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCH)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCH)(OC)	H(CC[6a]C)	115.2735	0.743	2	115.2735	0.552	2	114.9746	2.040	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCN)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCN)(OC)	H(CC[6a]C)	115.1560	0.000	1	115.1560	0.000	1	114.9746	2.040	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCO)(OH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCO)(OH)	H(CC[6a]C)	115.1620	0.000	1	115.1620	0.000	1	114.9746	2.040	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CC[6a]O)(OH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CC[6a]O)(OH)	H(CC[6a]C)	115.0180	0.000	1	115.0180	0.000	1	114.9746	2.040	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CHN)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CHN)(OC)	H(CC[6a]C)	116.5540	0.000	1	116.5540	0.000	1	114.9746	2.040	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(COO)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(COO)(OC)	H(CC[6a]C)	114.4047	0.752	3	114.4047	0.566	3	114.9746	2.040	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(COO)(OH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(COO)(OH)	H(CC[6a]C)	115.4024	2.083	5	115.4024	4.337	5	114.9746	2.040	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(CC[6a]O)(SC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(CC[6a]O)(SC)	H(CC[6a]C)	114.7752	0.979	6	114.7752	0.959	6	114.8683	0.860	7	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(COO)(SZn)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(COO)(SZn)	H(CC[6a]C)	115.4270	0.000	1	115.4270	0.000	1	114.8683	0.860	7	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(NOO)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(NOO)(CN)	H(CC[6a]C)	114.6880	0.000	1	114.6880	0.000	1	114.6880	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-2:	C-3:	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(NCS)(NS)	H(CC[6a]C)	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(NCS)(NS)	H(CC[6a]C)	115.1070	0.000	1	115.1070	0.000	1	114.9975	0.024	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-2:	C-3:	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(NC[6a]S)(NC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(NC[6a]S)(NC)	H(CC[6a]C)	114.8880	0.000	1	114.8880	0.000	1	114.9975	0.024	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-2:	C-3:	C(C[6a]C[6a]2)(CNO)(H)	C(CC[6a]H)(NCS)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(H)	C(CC[6a]H)(NCS)(OC)	H(CC[6a]C)	116.1610	0.315	2	116.1610	0.099	2	116.1610	0.099	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(C[6a]C[6a,6a]2)(CC[5a]C)(H)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[5a]C)(H)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	H(CC[6a]C)	117.3610	0.000	1	117.3610	0.000	1	114.5005	1.002	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]2)(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]2)(CC[6a]H)(CN)	H(CC[6a]C)	114.9295	0.913	2	114.9295	0.833	2	114.5005	1.002	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CN)	H(CC[6a]C)	114.7690	0.767	2	114.7690	0.588	2	114.5005	1.002	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	H(CC[6a]C)	114.1230	0.769	3	114.1230	0.591	3	114.5005	1.002	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	H(CC[6a]C)	114.6130	0.925	2	114.6130	0.855	2	114.5005	1.002	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	H(CC[6a]C)	113.9425	0.332	6	113.9425	0.110	6	114.5005	1.002	16	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(CC[6a]H)(OH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(CC[6a]H)(OH)	H(CC[6a]C)	115.7210	0.000	1	115.7210	0.000	1	115.7210	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(CN)	H(CC[6a]C)	114.8053	1.652	3	114.8053	2.730	3	114.8053	2.730	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:S-2:	C-3:	C(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]2)(CC[6a]H)(SC[6a])	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]2)(CC[6a]H)(SC[6a])	H(CC[6a]C)	115.8190	0.000	1	115.8190	0.000	1	115.8190	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	H(CC[6a]C)	114.8850	0.000	1	114.8850	0.000	1	114.5350	0.893	124	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	H(CC[6a]C)	114.6617	0.631	3	114.6617	0.398	3	114.5350	0.893	124	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	H(CC[6a]C)	115.7735	0.325	2	115.7735	0.105	2	114.5350	0.893	124	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CC)	H(CC[6a]C)	114.2430	0.000	1	114.2430	0.000	1	114.5350	0.893	124	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	H(CC[6a]C)	114.5247	0.971	112	114.5247	0.942	112	114.5350	0.893	124	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	H(CC[6a]C)	114.1814	0.290	5	114.1814	0.084	5	114.5350	0.893	124	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NC)	H(CC[6a]C)	115.4180	0.000	1	115.4180	0.000	1	115.4180	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OH)	H(CC[6a]C)	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OH)	H(CC[6a]C)	116.6960	0.000	1	116.6960	0.000	1	116.1446	0.979	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OC)	H(CC[6a]C)	116.3949	1.078	8	116.3949	1.161	8	116.1446	0.979	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OC[6a])	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OC[6a])	H(CC[6a]C)	115.1440	0.000	1	115.1440	0.000	1	116.1446	0.979	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OFe)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OFe)	H(CC[6a]C)	116.2640	0.315	2	116.2640	0.099	2	116.1446	0.979	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OS)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OS)	H(CC[6a]C)	116.2058	0.693	4	116.2058	0.480	4	116.1446	0.979	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	H(CC[6a]C)	114.1090	0.000	1	114.1090	0.000	1	116.1446	0.979	17	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[6a]H)(SC[6a])	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[6a]H)(SC[6a])	H(CC[6a]C)	115.0980	0.580	3	115.0980	0.336	3	115.0980	0.336	3	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]2)(CC[6a]H)(CC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]2)(CC[6a]H)(CC)	H(CC[6a]C)	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(CC[6a]H)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(CC[6a]H)(OC)	H(CC[6a]C)	118.0280	0.000	1	118.0280	0.000	1	118.0280	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]C[5a,6a]C[5a])(CC[6a]H)(CC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]C[5a,6a]C[5a])(CC[6a]H)(CC)	H(CC[6a]C)	114.6580	0.000	1	114.6580	0.000	1	114.6580	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N[6]-3:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CN[6]C)(H)	C(N[6]C[6]2)(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]C)(H)	C(N[6]C[6]2)(CC[6a]H)(CN)	H(CC[6a]C)	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(NC[6a]Cu)(CCC)(H)	C(CHN)2(CN)	H(CCN)	C(NC[6a]Cu)(CCC)(H)	C(CHN)2(CN)	H(CCN)	117.3637	0.304	4	117.3637	0.093	4	117.9918	1.475	20	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(NC[6a]Fe)(CCC)(H)	C(CHN)(COO)(CN)	H(CCN)	C(NC[6a]Fe)(CCC)(H)	C(CHN)(COO)(CN)	H(CCN)	117.2590	0.250	2	117.2590	0.063	2	117.9918	1.475	20	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(NC[6a]H)(CCC)(H)	C(CCO)(CHN)(CN)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CCO)(CHN)(CN)	H(CCN)	117.4230	0.000	1	117.4230	0.000	1	117.9918	1.475	20	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(NC[6a]H)(CCC)(H)	C(CHN)(COO)(CN)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CHN)(COO)(CN)	H(CCN)	118.4226	1.540	9	118.4226	2.370	9	117.9918	1.475	20	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(NC[6a]H)(CCC)(H)	C(CHN)2(CN)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CHN)2(CN)	H(CCN)	119.1105	0.257	2	119.1105	0.066	2	117.9918	1.475	20	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(NCuC)(CCC)(H)	C(CHN)(COO)(CN)	H(CCN)	C(NCuC)(CCC)(H)	C(CHN)(COO)(CN)	H(CCN)	117.2085	0.534	2	117.2085	0.285	2	117.9918	1.475	20	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	C-3:C-3:N-2:	C-3:	C(NC[6]H)(CCN)(H)	C(CHN)(COO)(NC)	H(CCN)	C(NC[6]H)(CCN)(H)	C(CHN)(COO)(NC)	H(CCN)	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(NC[6a]C)(CCO)(H)	C(CCO)(CHN)(OC)	H(CCN)	C(NC[6a]C)(CCO)(H)	C(CCO)(CHN)(OC)	H(CCN)	114.5830	0.000	1	114.5830	0.000	1	114.5830	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	S-3:C-3:S-2:	C-3:	C(NReC)(CSS)(H)	C(SReC)(CHN)(SC)	H(CCN)	C(NReC)(CSS)(H)	C(SReC)(CHN)(SC)	H(CCN)	118.3260	0.089	2	118.3260	0.008	2	118.3260	0.008	2	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	N[5a]-3:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(N[5a]C[5a]2)(CCO)(H)	C(CN[5a]H)(COO)(OC)	H(CN[5a]C)	C(N[5a]C[5a]2)(CCO)(H)	C(CN[5a]H)(COO)(OC)	H(CN[5a]C)	119.5550	0.000	1	119.5550	0.000	1	119.5550	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:2:	3:	S-3:C-3:H-1:	N-3:C-3:S-2:	C-3:	C(SReC)(CNS)(H)	C(NReC)(CHS)(SC)	H(CCS)	C(SReC)(CNS)(H)	C(NReC)(CHS)(SC)	H(CCS)	121.7570	0.000	1	121.7570	0.000	1	121.7570	0.000	1	116.5454	4.395	1361	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	B[5]-3:C-3:H-1:	C[6a]-3:B-3:C-3:	C-3:	C(B[5]O[5]2)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	H(CB[5]C)	C(B[5]O[5]2)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	H(CB[5]C)	115.6538	0.256	4	115.6538	0.065	4	115.6538	0.065	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	B[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(B[5]O[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CB[5]H)	H(CB[5]C)	C(B[5]O[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CB[5]H)	H(CB[5]C)	114.5620	0.000	1	114.5620	0.000	1	114.5620	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	B[5a]-3:C-3:H-1:	B[5a]-3:C[6a]-3:C-3:	C-3:	C(B[5a]O[5a]2)(CB[5a]C[6a])(H)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CB[5a]H)	H(CB[5a]C)	C(B[5a]O[5a]2)(CB[5a]C[6a])(H)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CB[5a]H)	H(CB[5a]C)	118.4220	0.000	1	118.4220	0.000	1	118.4220	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:B-3:H-1:	C[6a]-3:B[5]-3:C-3:	C-3:	C(CC[6a]B[5])(BC[6a]2)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	H(CBC)	C(CC[6a]B[5])(BC[6a]2)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	H(CBC)	113.8735	1.515	6	113.8735	2.294	6	113.8735	2.294	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CAsC)(CCH)(CCO)	H(CCC)	C(CCC)(CCH)(H)	C(CAsC)(CCH)(CCO)	H(CCC)	110.8130	0.000	1	110.8130	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCC)(CCH)2	H(CCC)	C(CCC)(CCH)(H)	C(CCC)(CCH)2	H(CCC)	116.0967	1.439	10	116.0967	2.071	10	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCH)(CCO)(CCP)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)(CCO)(CCP)	H(CCC)	114.4720	0.000	1	114.4720	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCH)(CCO)2	H(CCC)	C(CCC)(CCH)(H)	C(CCH)(CCO)2	H(CCC)	116.0515	0.028	2	116.0515	0.001	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCH)2(CCO)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)2(CCO)	H(CCC)	117.9673	0.725	23	117.9673	0.525	23	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCH)2(COO)	H(CCC)	C(CCC)(CCH)(H)	C(CCH)2(COO)	H(CCC)	114.8470	0.023	2	114.8470	0.001	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CHO)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CHO)	H(CCC)	117.2690	0.000	1	117.2690	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC[6a]O)(CCH)(CCO)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6a]O)(CCH)(CCO)	H(CCC)	114.0852	0.414	5	114.0852	0.171	5	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CClC)(CCH)(COO)	H(CCC)	C(CCC)(CCH)(H)	C(CClC)(CCH)(COO)	H(CCC)	115.8170	0.000	1	115.8170	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CRuC)(CCH)(COO)	H(CCC)	C(CCC)(CCH)(H)	C(CRuC)(CCH)(COO)	H(CCC)	115.8400	0.000	1	115.8400	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCN)(H)	C(CCH)2(COO)	H(CCC)	C(CCC)(CCN)(H)	C(CCH)2(COO)	H(CCC)	115.0820	0.000	1	115.0820	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCO)(H)	C(CCC)(CCH)(COO)	H(CCC)	C(CCC)(CCO)(H)	C(CCC)(CCH)(COO)	H(CCC)	118.2220	0.000	1	118.2220	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCS)(H)	C(CC[5]O)(CCoH)(CCH)	H(CCC)	C(CCC)(CCS)(H)	C(CC[5]O)(CCoH)(CCH)	H(CCC)	114.1100	0.000	1	114.1100	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCS)(H)	C(CC[5a]O)(CCoH)(CCH)	H(CCC)	C(CCC)(CCS)(H)	C(CC[5a]O)(CCoH)(CCH)	H(CCC)	115.5355	0.091	2	115.5355	0.008	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CCS)(H)	C(CCoH)(CCH)(COO)	H(CCC)	C(CCC)(CCS)(H)	C(CCoH)(CCH)(COO)	H(CCC)	115.3810	0.000	1	115.3810	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(CHS)(H)	C(CCC)(CCH)(COO)	H(CCC)	C(CCC)(CHS)(H)	C(CCC)(CCH)(COO)	H(CCC)	117.9120	0.000	1	117.9120	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(COO)(H)	C(CCC)(CCH)(COO)	H(CCC)	C(CCC)(COO)(H)	C(CCC)(CCH)(COO)	H(CCC)	118.5307	2.000	4	118.5307	4.000	4	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(COO)(H)	C(CC[6]N)(CCH)(COO)	H(CCC)	C(CCC)(COO)(H)	C(CC[6]N)(CCH)(COO)	H(CCC)	117.4740	0.000	1	117.4740	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(COO)(H)	C(CC[6a]C)(CCH)(COO)	H(CCC)	C(CCC)(COO)(H)	C(CC[6a]C)(CCH)(COO)	H(CCC)	116.1510	0.000	1	116.1510	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)2(H)	C(CCH)2(CCO)	H(CCC)	C(CCC)2(H)	C(CCH)2(CCO)	H(CCC)	119.0434	0.602	23	119.0434	0.363	23	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)2(H)	C(CC[5a]H)(CCH)(CCO)	H(CCC)	C(CCC)2(H)	C(CC[5a]H)(CCH)(CCO)	H(CCC)	115.5415	0.214	2	115.5415	0.046	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)2(H)	C(CC[6a]O)(CCH)(CSS)	H(CCC)	C(CCC)2(H)	C(CC[6a]O)(CCH)(CSS)	H(CCC)	115.9630	0.472	2	115.9630	0.223	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[5]H)(CCC)(H)	C(CCC)(CCH)(COO)	H(CCC)	C(CC[5]H)(CCC)(H)	C(CCC)(CCH)(COO)	H(CCC)	113.3120	0.000	1	113.3120	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[5]H)(CCC)(H)	C(CCC)(CCH)2	H(CCC)	C(CC[5]H)(CCC)(H)	C(CCC)(CCH)2	H(CCC)	114.9282	0.305	19	114.9282	0.093	19	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[5]H)(CCC)(H)	C(CCH)2(COO)	H(CCC)	C(CC[5]H)(CCC)(H)	C(CCH)2(COO)	H(CCC)	115.5860	0.302	4	115.5860	0.091	4	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[5]O)(CCC)(H)	C(CCH)2(COO)	H(CCC)	C(CC[5]O)(CCC)(H)	C(CCH)2(COO)	H(CCC)	115.1515	0.513	2	115.1515	0.263	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[5a]O)(CCC)(H)	C(CC[6a]O)(CCH)(COO)	H(CCC)	C(CC[5a]O)(CCC)(H)	C(CC[6a]O)(CCH)(COO)	H(CCC)	118.7520	0.000	1	118.7520	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(COsC)(CCH)(COO)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(COsC)(CCH)(COO)	H(CCC)	114.2603	0.261	3	114.2603	0.068	3	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[6a]H)(CCC)(H)	C(CCC)(CCH)2	H(CCC)	C(CC[6a]H)(CCC)(H)	C(CCC)(CCH)2	H(CCC)	116.5975	1.120	4	116.5975	1.254	4	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[6a]H)(CCC)(H)	C(CCH)2(COO)	H(CCC)	C(CC[6a]H)(CCC)(H)	C(CCH)2(COO)	H(CCC)	116.1920	0.000	1	116.1920	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[6a]H)(CCC)(H)	C(CC[6a]2)(CCH)(CCP)	H(CCC)	C(CC[6a]H)(CCC)(H)	C(CC[6a]2)(CCH)(CCP)	H(CCC)	115.3230	0.000	1	115.3230	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[6a]H)(CCC)(H)	C(CC[6a]C)(CCC)(CCH)	H(CCC)	C(CC[6a]H)(CCC)(H)	C(CC[6a]C)(CCC)(CCH)	H(CCC)	117.2090	0.228	2	117.2090	0.052	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[6a]H)(CCC)(H)	C(CC[6a]H)(CCH)(COO)	H(CCC)	C(CC[6a]H)(CCC)(H)	C(CC[6a]H)(CCH)(COO)	H(CCC)	115.7630	0.426	2	115.7630	0.181	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[6a]N)(CCC)(H)	C(CCH)2(COO)	H(CCC)	C(CC[6a]N)(CCC)(H)	C(CCH)2(COO)	H(CCC)	113.7210	0.000	1	113.7210	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[6a]O)(CCC)(H)	C(CCH)(CCO)2	H(CCC)	C(CC[6a]O)(CCC)(H)	C(CCH)(CCO)2	H(CCC)	118.9910	0.014	2	118.9910	0.000	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CC[6a]O)(CCC)(H)	C(CC[6a]O)(CCH)(COO)	H(CCC)	C(CC[6a]O)(CCC)(H)	C(CC[6a]O)(CCH)(COO)	H(CCC)	118.9180	0.000	1	118.9180	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCoC)(CCC)(H)	C(CCH)(CHS)(COO)	H(CCC)	C(CCoC)(CCC)(H)	C(CCH)(CHS)(COO)	H(CCC)	115.7020	0.605	2	115.7020	0.366	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CN[5]H)(CCC)(H)	C(CCC)(CCH)(COO)	H(CCC)	C(CN[5]H)(CCC)(H)	C(CCC)(CCH)(COO)	H(CCC)	114.4490	0.639	2	114.4490	0.409	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(COsC)(CCC)(H)	C(COsC)(CCH)(COO)	H(CCC)	C(COsC)(CCC)(H)	C(COsC)(CCH)(COO)	H(CCC)	123.1835	0.846	2	123.1835	0.716	2	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(COsC)(CCC)(H)	C(COsH)(CCH)(COO)	H(CCC)	C(COsC)(CCC)(H)	C(COsH)(CCH)(COO)	H(CCC)	123.5130	0.507	3	123.5130	0.258	3	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(COsC)(CCC)(H)	C(COsN)(CCH)(COO)	H(CCC)	C(COsC)(CCC)(H)	C(COsN)(CCH)(COO)	H(CCC)	122.3200	0.000	1	122.3200	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CSeC)(CCC)(H)	C(CCoH)(CCH)(COO)	H(CCC)	C(CSeC)(CCC)(H)	C(CCoH)(CCH)(COO)	H(CCC)	114.3840	0.000	1	114.3840	0.000	1	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CSiH)(CCC)(H)	C(CCC)(CCH)2	H(CCC)	C(CSiH)(CCC)(H)	C(CCC)(CCH)2	H(CCC)	115.3531	1.332	12	115.3531	1.774	12	116.7853	5.161	154	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCC)(CCN)(H)	C(CCH)(COO)(NCH)	H(CCC)	C(CCC)(CCN)(H)	C(CCH)(COO)(NCH)	H(CCC)	115.0290	0.000	1	115.0290	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CCN)(NCH)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CCN)(NCH)	H(CCC)	114.2017	0.194	3	114.2017	0.038	3	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CCO)(NCH)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CCO)(NCH)	H(CCC)	114.5496	0.353	11	114.5496	0.125	11	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CCO)(NCN)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CCO)(NCN)	H(CCC)	112.2395	3.125	2	112.2395	9.764	2	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CCO)(NHH)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CCO)(NHH)	H(CCC)	114.0673	0.451	3	114.0673	0.203	3	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CCO)(NOO)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CCO)(NOO)	H(CCC)	115.5890	0.000	1	115.5890	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CCH)(CHO)(NOO)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(CHO)(NOO)	H(CCC)	116.8490	0.000	1	116.8490	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CCH)(COO)(NCH)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)(COO)(NCH)	H(CCC)	117.2385	0.561	2	117.2385	0.314	2	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CCH)2(NCC)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)2(NCC)	H(CCC)	116.7180	0.000	1	116.7180	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CCH)2(NOO)	H(CCC)	C(CCH)(CCN)(H)	C(CCH)2(NOO)	H(CCC)	115.7647	0.510	6	115.7647	0.260	6	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CIrH)(CCH)(NOO)	H(CCC)	C(CCH)(CCN)(H)	C(CIrH)(CCH)(NOO)	H(CCC)	117.3460	0.208	4	117.3460	0.043	4	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(CCO)(H)	C(CCH)(COO)(NCO)	H(CCC)	C(CCN)(CCO)(H)	C(CCH)(COO)(NCO)	H(CCC)	118.5960	0.000	1	118.5960	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(CCO)(H)	C(CCH)2(NCC)	H(CCC)	C(CCN)(CCO)(H)	C(CCH)2(NCC)	H(CCC)	117.3700	0.000	1	117.3700	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(CHN)(H)	C(CCH)2(NCC)	H(CCC)	C(CCN)(CHN)(H)	C(CCH)2(NCC)	H(CCC)	114.8470	0.000	1	114.8470	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(CHS)(H)	C(CCH)2(NCC)	H(CCC)	C(CCN)(CHS)(H)	C(CCH)2(NCC)	H(CCC)	114.4160	0.000	1	114.4160	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(COO)(H)	C(CCH)(CCO)(NCS)	H(CCC)	C(CCN)(COO)(H)	C(CCH)(CCO)(NCS)	H(CCC)	117.7560	0.000	1	117.7560	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(COO)(H)	C(CCH)(COO)(NCN)	H(CCC)	C(CCN)(COO)(H)	C(CCH)(COO)(NCN)	H(CCC)	117.8660	0.721	2	117.8660	0.520	2	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(COO)(H)	C(CCH)2(NHS)	H(CCC)	C(CCN)(COO)(H)	C(CCH)2(NHS)	H(CCC)	118.2270	0.000	1	118.2270	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CC[5]C)(CCN)(H)	C(CCH)2(NCC)	H(CCC)	C(CC[5]C)(CCN)(H)	C(CCH)2(NCC)	H(CCC)	117.5090	0.000	1	117.5090	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CC[5a]H)(CCN)(H)	C(CCC)(CCH)(NCC)	H(CCC)	C(CC[5a]H)(CCN)(H)	C(CCC)(CCH)(NCC)	H(CCC)	118.2900	0.000	1	118.2900	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CC[6a]H)(CCN)(H)	C(CCH)2(NHS)	H(CCC)	C(CC[6a]H)(CCN)(H)	C(CCH)2(NHS)	H(CCC)	119.0800	0.000	1	119.0800	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CSiH)(CCN)(H)	C(CCH)2(NCC)	H(CCC)	C(CSiH)(CCN)(H)	C(CCH)2(NCC)	H(CCC)	115.6710	0.000	1	115.6710	0.000	1	115.7332	3.050	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:N-3:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(CCH)	H(CCC)	118.1935	0.073	2	118.1935	0.005	2	118.1935	0.005	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:N-3:N-3:	C-3:	C(CCO)(CNN)(H)	C(CCH)(NCC)(NCH)	H(CCC)	C(CCO)(CNN)(H)	C(CCH)(NCC)(NCH)	H(CCC)	116.1610	0.000	1	116.1610	0.000	1	116.8478	1.252	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:N-3:N-3:	C-3:	C(CC[6a]O)(CNN)(H)	C(CCH)(NCH)2	H(CCC)	C(CC[6a]O)(CNN)(H)	C(CCH)(NCH)2	H(CCC)	117.7950	0.174	2	117.7950	0.030	2	116.8478	1.252	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:N-3:N-3:	C-3:	C(CN[6]H)(CNN)(H)	C(CCH)(NCH)(NHH)	H(CCC)	C(CN[6]H)(CNN)(H)	C(CCH)(NCH)(NHH)	H(CCC)	115.6400	0.000	1	115.6400	0.000	1	116.8478	1.252	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]2)(CCH)2	H(CCC)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]2)(CCH)2	H(CCC)	115.7755	0.077	2	115.7755	0.006	2	116.6257	6.076	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:	C(CC[5]C)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)2	H(CCC)	C(CC[5]C)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)2	H(CCC)	114.9097	0.252	3	114.9097	0.063	3	116.6257	6.076	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:	C(CC[5]C)(COO)(H)	C(C[5]C[5]2)(CCH)(COO)	H(CCC)	C(CC[5]C)(COO)(H)	C(C[5]C[5]2)(CCH)(COO)	H(CCC)	120.4795	1.295	2	120.4795	1.676	2	116.6257	6.076	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:	C(CC[6a]2)(CC[5]C)(H)	C(C[5]S[5]2)(CC[6a]O)(CCH)	H(CCC)	C(CC[6a]2)(CC[5]C)(H)	C(C[5]S[5]2)(CC[6a]O)(CCH)	H(CCC)	115.7670	0.000	1	115.7670	0.000	1	116.6257	6.076	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(CCH)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CCH)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	H(CCC)	117.9970	0.000	1	117.9970	0.000	1	117.5235	0.183	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	H(CCC)	117.5553	0.329	4	117.5553	0.109	4	117.5235	0.183	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CCH)	H(CCC)	116.9230	0.000	1	116.9230	0.000	1	117.5235	0.183	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5]-3:N-3:C-3:	C-3:	C(CC[6a]H)(CC[5]N)(H)	C(C[5]N[5,6]N[5])(NC[6a]C)(CCH)	H(CCC)	C(CC[6a]H)(CC[5]N)(H)	C(C[5]N[5,6]N[5])(NC[6a]C)(CCH)	H(CCC)	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCH)(CCO)	H(CCC)	C(CC[5a]C)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCH)(CCO)	H(CCC)	112.8780	0.000	1	112.8780	0.000	1	116.2249	2.741	9	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(CC[5]H)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCH)	H(CCC)	C(CC[5a]C)(CC[5]H)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCH)	H(CCC)	116.7470	0.000	1	116.7470	0.000	1	116.2249	2.741	9	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(CHN)	H(CCC)	C(CC[5a]C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(CHN)	H(CCC)	115.1140	0.229	2	115.1140	0.052	2	116.2249	2.741	9	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(CHH)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCH)	H(CCC)	C(CC[5a]C)(CHH)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCH)	H(CCC)	117.4500	0.000	1	117.4500	0.000	1	116.2249	2.741	9	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,5a]N[5a])(CCH)(COO)	H(CCC)	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,5a]N[5a])(CCH)(COO)	H(CCC)	116.1400	0.000	1	116.1400	0.000	1	116.2249	2.741	9	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(CNO)	H(CCC)	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(CNO)	H(CCC)	116.5910	0.000	1	116.5910	0.000	1	116.2249	2.741	9	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]S[5a])(CCH)(COO)	H(CCC)	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]S[5a])(CCH)(COO)	H(CCC)	118.0960	0.000	1	118.0960	0.000	1	116.2249	2.741	9	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a]S[5a])(CCH)(COO)	H(CCC)	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a]S[5a])(CCH)(COO)	H(CCC)	117.8940	0.000	1	117.8940	0.000	1	116.2249	2.741	9	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C-3:	C(CC[5a]2)(CCH)(H)	C(C[5a]C[5a]N[5a])2(CCH)	H(CCC)	C(CC[5a]2)(CCH)(H)	C(C[5a]C[5a]N[5a])2(CCH)	H(CCC)	119.2951	1.341	7	119.2951	1.797	7	119.0945	1.862	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C-3:	C(CC[5a]2)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])2(CCH)	H(CCC)	C(CC[5a]2)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])2(CCH)	H(CCC)	117.6900	0.000	1	117.6900	0.000	1	119.0945	1.862	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CCH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(CCH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	116.0275	1.133	2	116.0275	1.285	2	116.5471	1.567	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CCO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(CCO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	H(CCC)	114.4350	0.000	1	114.4350	0.000	1	116.5471	1.567	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CC[3]O)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(CC[3]O)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	114.4680	0.000	1	114.4680	0.000	1	116.5471	1.567	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CC[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(CC[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	116.7010	0.000	1	116.7010	0.000	1	116.5471	1.567	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CC[6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(CC[6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	116.1250	0.000	1	116.1250	0.000	1	116.5471	1.567	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CC[6a]N)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(CC[6a]N)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	117.5135	0.590	2	117.5135	0.349	2	116.5471	1.567	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	117.3120	0.000	1	117.3120	0.000	1	116.5471	1.567	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CN[6]O)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(CN[6]O)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	118.2890	0.000	1	118.2890	0.000	1	116.5471	1.567	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(COO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(COO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	H(CCC)	117.1910	0.000	1	117.1910	0.000	1	116.5471	1.567	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(COO)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(COO)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	116.9620	0.000	1	116.9620	0.000	1	116.5471	1.567	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6]-3:C-3:C-3:	C-3:	C(CC[6]C)(CSnH)(H)	C(C[6]S[6]2)(CCH)(COO)	H(CCC)	C(CC[6]C)(CSnH)(H)	C(C[6]S[6]2)(CCH)(COO)	H(CCC)	117.2720	0.000	1	117.2720	0.000	1	118.2917	0.781	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6]-3:C-3:C-3:	C-3:	C(CC[6a]O)(CC[6]C)(H)	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	H(CCC)	C(CC[6a]O)(CC[6]C)(H)	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	H(CCC)	118.8015	0.042	2	118.8015	0.002	2	118.2917	0.781	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6]-3:C-3:N-3:	C-3:	C(CC[6a]H)(CC[6]N)(H)	C(C[6]N[6]O[6])(CCH)(NCS)	H(CCC)	C(CC[6a]H)(CC[6]N)(H)	C(C[6]N[6]O[6])(CCH)(NCS)	H(CCC)	117.4020	0.000	1	117.4020	0.000	1	117.4020	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[6])(CCH)(H)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C[6])(CCH)(H)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CCH)	H(CCC)	116.7790	0.000	1	116.7790	0.000	1	116.7790	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6]-3:O-3:C-3:	C-3:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(OCuEr)(CCH)	H(CCC)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(OCuEr)(CCH)	H(CCC)	116.7272	0.284	4	116.7272	0.081	4	116.1400	3.918	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6]-3:O-3:C-3:	C-3:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(OEuNi)(CCH)	H(CCC)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(OEuNi)(CCH)	H(CCC)	116.0110	0.312	4	116.0110	0.098	4	116.1400	3.918	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6]-3:O-3:C-3:	C-3:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(ONiSm)(CCH)	H(CCC)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(ONiSm)(CCH)	H(CCC)	115.6817	3.664	4	115.6817	13.425	4	116.1400	3.918	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:B[5]-3:C-3:	C-3:	C(CC[6a]B[5])(COO)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	H(CCC)	C(CC[6a]B[5])(COO)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	H(CCC)	124.8830	0.000	1	124.8830	0.000	1	124.8830	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[5a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(CHH)	H(CCC)	C(CC[5a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(CHH)	H(CCC)	116.1810	0.000	1	116.1810	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	C(CC[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	115.3280	0.000	1	115.3280	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	117.8565	1.257	2	117.8565	1.579	2	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CHH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CHH)	H(CCC)	115.5070	1.086	2	115.5070	1.180	2	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	115.6830	1.995	2	115.6830	3.982	2	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	H(CCC)	116.7350	0.000	1	116.7350	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]Os)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]Os)(CCH)	H(CCC)	114.2803	0.289	3	114.2803	0.083	3	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCC)(CCH)	H(CCC)	116.6330	0.000	1	116.6330	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(CCO)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(CCO)	H(CCC)	114.5380	0.000	1	114.5380	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	116.1107	2.597	6	116.1107	6.743	6	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CCN)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CCN)	H(CCC)	117.1350	0.000	1	117.1350	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(COO)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(COO)	H(CCC)	116.6225	0.815	2	116.6225	0.665	2	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	114.4303	1.538	8	114.4303	2.366	8	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	H(CCC)	116.2728	1.044	4	116.2728	1.089	4	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	H(CCC)	117.5710	0.000	1	117.5710	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	H(CCC)	119.7680	0.000	1	119.7680	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	H(CCC)	116.6065	0.643	2	116.6065	0.413	2	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]Pt)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]Pt)(CCH)	H(CCC)	117.4240	0.000	1	117.4240	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCN)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	H(CCC)	C(CC[6a]C)(CCN)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	H(CCC)	116.3480	0.000	1	116.3480	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	H(CCC)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	H(CCC)	116.1490	1.201	2	116.1490	1.442	2	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	117.2668	0.542	10	117.2668	0.293	10	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	H(CCC)	116.6170	0.000	1	116.6170	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	H(CCC)	116.0300	0.000	1	116.0300	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	H(CCC)	117.3320	0.000	1	117.3320	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	115.3150	0.000	1	115.3150	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	H(CCC)	114.8040	0.000	1	114.8040	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(COO)	H(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(COO)	H(CCC)	116.5960	0.000	1	116.5960	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	H(CCC)	118.9545	1.541	2	118.9545	2.374	2	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	H(CCC)	114.5790	0.000	1	114.5790	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	H(CCC)	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	H(CCC)	113.4210	0.000	1	113.4210	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	116.9530	0.000	1	116.9530	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	H(CCC)	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	H(CCC)	116.7110	0.000	1	116.7110	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CHO)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]C)(CHO)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	117.4220	0.444	2	117.4220	0.197	2	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CHS)(H)	C(C[6a]C[6a,6a]C[6a])(CPtH)(CCH)	H(CCC)	C(CC[6a]C)(CHS)(H)	C(C[6a]C[6a,6a]C[6a])(CPtH)(CCH)	H(CCC)	115.7515	0.022	2	115.7515	0.000	2	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CNN)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	C(CC[6a]C)(CNN)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	118.5580	0.000	1	118.5580	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CCH)(COO)	H(CCC)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CCH)(COO)	H(CCC)	120.6320	0.000	1	120.6320	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	H(CCC)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	H(CCC)	116.5950	0.000	1	116.5950	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(COsC)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	C(CC[6a]C)(COsC)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	117.6080	1.772	2	117.6080	3.140	2	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CRuC)(H)	C(C[6a]C[6a]2)(CRuC)(CCH)	H(CCC)	C(CC[6a]C)(CRuC)(H)	C(C[6a]C[6a]2)(CRuC)(CCH)	H(CCC)	121.9530	0.183	4	121.9530	0.034	4	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CSS)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]C)(CSS)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	115.3780	0.136	2	115.3780	0.018	2	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	115.3616	2.468	7	115.3616	6.093	7	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	116.0440	0.000	1	116.0440	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	H(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	H(CCC)	114.8940	0.000	1	114.8940	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]Rh)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CRhH)(CCH)	H(CCC)	C(CC[6a]Rh)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CRhH)(CCH)	H(CCC)	121.1020	0.000	1	121.1020	0.000	1	116.5441	4.511	90	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[5a]O)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	C(CC[5a]O)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	118.8140	0.000	1	118.8140	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	H(CCC)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	H(CCC)	115.3780	0.000	1	115.3780	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCO)	H(CCC)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCO)	H(CCC)	118.2950	0.000	1	118.2950	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	C(CC[6a]N)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	113.6680	0.000	1	113.6680	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	116.2205	0.540	2	116.2205	0.291	2	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NOO)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NOO)	H(CCC)	117.9570	0.000	1	117.9570	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	H(CCC)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	H(CCC)	117.1640	0.000	1	117.1640	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CC[3]O)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	C(CC[6a]N)(CC[3]O)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	116.5520	0.000	1	116.5520	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	C(CC[6a]N)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	118.0970	0.000	1	118.0970	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	117.2608	0.740	4	117.2608	0.547	4	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	116.4275	1.063	2	116.4275	1.130	2	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NHH)	H(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NHH)	H(CCC)	118.1290	0.000	1	118.1290	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NSS)	H(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NSS)	H(CCC)	117.4810	0.000	1	117.4810	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CCrN)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	C(CC[6a]N)(CCrN)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	114.6260	0.000	1	114.6260	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CCrO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	C(CC[6a]N)(CCrO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	113.8780	0.000	1	113.8780	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	C(CC[6a]N)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	119.3630	0.527	3	119.3630	0.278	3	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	113.3910	0.000	1	113.3910	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	H(CCC)	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	H(CCC)	118.0240	0.000	1	118.0240	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	117.7857	0.211	3	117.7857	0.045	3	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(COW)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	C(CC[6a]N)(COW)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	116.2090	0.000	1	116.2090	0.000	1	117.0154	2.753	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[4]-3:C-3:	C-3:	C(CC[6a]C[4])(CHN)(H)	C(C[6a]C[6a]2)(C[4]C[4]2)(CCH)	H(CCC)	C(CC[6a]C[4])(CHN)(H)	C(C[6a]C[6a]2)(C[4]C[4]2)(CCH)	H(CCC)	113.8635	0.238	2	113.8635	0.057	2	113.8635	0.057	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[5]-3:C-3:	C-3:	C(CC[6a]C[5])(CCC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CCC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	H(CCC)	117.1000	0.000	1	117.1000	0.000	1	115.4645	2.564	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[5]-3:C-3:	C-3:	C(CC[6a]C[5])(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(CCH)	H(CCC)	114.4458	0.122	4	114.4458	0.015	4	115.4645	2.564	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[5]-3:C-3:	C-3:	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	H(CCC)	117.9040	0.000	1	117.9040	0.000	1	115.4645	2.564	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6]-3:C-3:	C-3:	C(CC[6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	H(CCC)	C(CC[6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	H(CCC)	116.3840	0.000	1	116.3840	0.000	1	116.3840	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[5a]C[6a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.6860	0.000	1	116.6860	0.000	1	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CCC)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CCC)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	114.9202	1.610	5	114.9202	2.593	5	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.3961	1.199	20	116.3961	1.437	20	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CCO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CCO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	115.3820	0.571	8	115.3820	0.326	8	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC[5]C)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CC[5]C)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	115.8700	0.000	1	115.8700	0.000	1	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC[5]H)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CC[5]H)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	117.0877	0.995	3	117.0877	0.989	3	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC[5]O)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CC[5]O)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.1490	0.000	1	116.1490	0.000	1	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC[6]H)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CC[6]H)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.8176	0.489	5	116.8176	0.239	5	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	115.3100	0.000	1	115.3100	0.000	1	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.5050	0.290	2	116.5050	0.084	2	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.7480	0.000	1	116.7480	0.000	1	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CHN)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CHN)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	117.5024	1.237	10	117.5024	1.531	10	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CIrO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CIrO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.4277	1.571	3	116.4277	2.468	3	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]2)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CCH)	H(CCC)	112.0590	0.000	1	112.0590	0.000	1	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CNO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CNO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.7155	0.442	2	116.7155	0.195	2	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CN[6]O)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CN[6]O)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.8123	0.089	3	116.8123	0.008	3	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(COO)(H)	C(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]2)(COO)(H)	C(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(CCH)	H(CCC)	117.4720	0.000	1	117.4720	0.000	1	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(COO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(COO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	118.8186	1.994	5	118.8186	3.976	5	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(COsH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(COsH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	118.9390	0.000	1	118.9390	0.000	1	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CRhO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CRhO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	114.9400	0.000	1	114.9400	0.000	1	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CRuN)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CRuN)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	113.3750	0.000	1	113.3750	0.000	1	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CRuO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CRuO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.0965	0.412	2	116.0965	0.170	2	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CN[5a]Ru)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CN[5a]Ru)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	115.0870	0.000	1	115.0870	0.000	1	116.4688	2.342	79	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[3x6]N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NAlSi)(CCH)	H(CCC)	C(CC[3x6]N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NAlSi)(CCH)	H(CCC)	116.2620	0.755	2	116.2620	0.570	2	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NZnN)(CCH)	H(CCC)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NZnN)(CCH)	H(CCC)	117.5900	0.590	4	117.5900	0.348	4	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	H(CCC)	117.3690	2.243	2	117.3690	5.031	2	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	H(CCC)	118.2220	1.463	4	118.2220	2.139	4	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	113.4047	4.284	3	113.4047	18.352	3	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CCH)	H(CCC)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CCH)	H(CCC)	117.8383	0.333	4	117.8383	0.111	4	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NCoH)(CCH)	H(CCC)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NCoH)(CCH)	H(CCC)	118.5980	0.104	3	118.5980	0.011	3	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NCuC)(CCH)	H(CCC)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NCuC)(CCH)	H(CCC)	115.9737	0.164	3	115.9737	0.027	3	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCH)	H(CCC)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCH)	H(CCC)	120.3120	0.000	1	120.3120	0.000	1	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	118.8260	0.000	1	118.8260	0.000	1	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CC[5]O)(H)	C(C[6a]C[6a]2)(NPdC)(CCH)	H(CCC)	C(CC[6a]N)(CC[5]O)(H)	C(C[6a]C[6a]2)(NPdC)(CCH)	H(CCC)	116.2950	0.000	1	116.2950	0.000	1	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	H(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	H(CCC)	118.0660	0.000	1	118.0660	0.000	1	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	117.7504	0.161	5	117.7504	0.026	5	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CHO)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	H(CCC)	C(CC[6a]N)(CHO)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	H(CCC)	118.1200	0.000	1	118.1200	0.000	1	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	H(CCC)	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	H(CCC)	116.7890	0.000	1	116.7890	0.000	1	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	H(CCC)	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	H(CCC)	117.4430	0.000	1	117.4430	0.000	1	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	118.5400	0.000	1	118.5400	0.000	1	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(COW)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	C(CC[6a]N)(COW)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	115.1310	0.052	2	115.1310	0.003	2	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CPdO)(H)	C(C[6a]C[6a]2)(NC[6a]Pd)(CCH)	H(CCC)	C(CC[6a]N)(CPdO)(H)	C(C[6a]C[6a]2)(NC[6a]Pd)(CCH)	H(CCC)	121.6655	0.293	2	121.6655	0.086	2	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NAlSi)(CCH)	H(CCC)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NAlSi)(CCH)	H(CCC)	116.5835	0.052	2	116.5835	0.003	2	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CCH)	H(CCC)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CCH)	H(CCC)	115.9698	0.116	4	115.9698	0.014	4	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Be)(CCH)	H(CCC)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Be)(CCH)	H(CCC)	117.0968	0.054	4	117.0968	0.003	4	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Li)(CCH)	H(CCC)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Li)(CCH)	H(CCC)	115.6820	0.051	2	115.6820	0.003	2	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Mg)(CCH)	H(CCC)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Mg)(CCH)	H(CCC)	115.0190	0.082	2	115.0190	0.007	2	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Zn)(CCH)	H(CCC)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Zn)(CCH)	H(CCC)	115.1685	0.005	2	115.1685	0.000	2	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NLiSi)(CCH)	H(CCC)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NLiSi)(CCH)	H(CCC)	114.4280	0.000	1	114.4280	0.000	1	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NSiSn)(CCH)	H(CCC)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NSiSn)(CCH)	H(CCC)	113.8345	0.084	2	113.8345	0.007	2	116.9147	3.893	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N[5]-3:C-3:	C-3:	C(CC[6a]N[5])(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)	H(CCC)	C(CC[6a]N[5])(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)	H(CCC)	117.2720	0.069	3	117.2720	0.005	3	117.2720	0.005	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N[6]-3:C-3:	C-3:	C(CC[6a]N[6])(CCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)	H(CCC)	C(CC[6a]N[6])(CCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)	H(CCC)	117.6960	0.000	1	117.6960	0.000	1	117.6960	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(CC[6a]N[6a])(COO)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]N[6a])(COO)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	H(CCC)	117.3760	0.000	1	117.3760	0.000	1	117.3760	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:O-3:C-3:	C-3:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(OC[6a]Rh)(CCH)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(OC[6a]Rh)(CCH)	H(CCC)	118.5590	0.243	2	118.5590	0.059	2	116.9972	1.785	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:O-3:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(OCr2)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(OCr2)(CCH)	H(CCC)	115.0390	0.000	1	115.0390	0.000	1	116.9972	1.785	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:O-3:C-3:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(OCo2)(CCH)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(OCo2)(CCH)	H(CCC)	117.2070	0.000	1	117.2070	0.000	1	116.9972	1.785	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:O-3:C-3:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(OCoNi)(CCH)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(OCoNi)(CCH)	H(CCC)	116.5580	0.000	1	116.5580	0.000	1	116.9972	1.785	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:O-3:C-3:	C-3:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(ONi2)(CCH)	H(CCC)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(ONi2)(CCH)	H(CCC)	116.6853	1.263	3	116.6853	1.596	3	116.9972	1.785	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:P-3:C-3:	C-3:	C(CC[6a]P)(CCH)(H)	C(C[6a]C[6a]2)(PC[6a]2)(CCH)	H(CCC)	C(CC[6a]P)(CCH)(H)	C(C[6a]C[6a]2)(PC[6a]2)(CCH)	H(CCC)	117.9748	1.468	4	117.9748	2.156	4	117.9748	2.156	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	Ge[6]-3:C-3:C-3:	C-3:	C(CGe[6]C)(COO)(H)	C(Ge[6]N[6]2)(CCH)(COO)	H(CCC)	C(CGe[6]C)(COO)(H)	C(Ge[6]N[6]2)(CCH)(COO)	H(CCC)	117.6417	0.183	3	117.6417	0.033	3	117.6417	0.033	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NAlC)(CCH)(CCO)	H(CCC)	C(CCH)(CCN)(H)	C(NAlC)(CCH)(CCO)	H(CCC)	114.6647	0.129	3	114.6647	0.017	3	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NAuC)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NAuC)(CCH)(CCN)	H(CCC)	113.6065	0.271	2	113.6065	0.073	2	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[5]H)(CCH)(CCO)	H(CCC)	C(CCH)(CCN)(H)	C(NC[5]H)(CCH)(CCO)	H(CCC)	114.7370	0.000	1	114.7370	0.000	1	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[6]Au)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NC[6]Au)(CCH)(CCN)	H(CCC)	112.7165	0.962	2	112.7165	0.926	2	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[6]H)(CCH)(CCO)	H(CCC)	C(CCH)(CCN)(H)	C(NC[6]H)(CCH)(CCO)	H(CCC)	114.6230	0.000	1	114.6230	0.000	1	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[6]Zn)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NC[6]Zn)(CCH)(CCN)	H(CCC)	113.2782	0.166	4	113.2782	0.028	4	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[6a]H)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NC[6a]H)(CCH)(CCN)	H(CCC)	114.8460	0.000	1	114.8460	0.000	1	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[6a]H)(CCH)(CCO)	H(CCC)	C(CCH)(CCN)(H)	C(NC[6a]H)(CCH)(CCO)	H(CCC)	114.8580	0.110	3	114.8580	0.012	3	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[6a]Li)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NC[6a]Li)(CCH)(CCN)	H(CCC)	113.5720	0.000	1	113.5720	0.000	1	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[6a]Ni)(CCH)(CCO)	H(CCC)	C(CCH)(CCN)(H)	C(NC[6a]Ni)(CCH)(CCO)	H(CCC)	115.6490	1.215	2	115.6490	1.476	2	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[6a]Pt)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NC[6a]Pt)(CCH)(CCN)	H(CCC)	113.5429	1.291	10	113.5429	1.666	10	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[6a]Rh)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NC[6a]Rh)(CCH)(CCN)	H(CCC)	113.8700	0.000	1	113.8700	0.000	1	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NCoC)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NCoC)(CCH)(CCN)	H(CCC)	114.2939	0.588	25	114.2939	0.345	25	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NCuC)(CCH)(CCO)	H(CCC)	C(CCH)(CCN)(H)	C(NCuC)(CCH)(CCO)	H(CCC)	115.1084	2.259	5	115.1084	5.103	5	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NFeC)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NFeC)(CCH)(CCN)	H(CCC)	114.4000	1.668	8	114.4000	2.782	8	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NLiC)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NLiC)(CCH)(CCN)	H(CCC)	112.7756	0.188	5	112.7756	0.035	5	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NMgC)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NMgC)(CCH)(CCN)	H(CCC)	113.2125	0.136	2	113.2125	0.019	2	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NPdC)(CCH)(CCO)	H(CCC)	C(CCH)(CCN)(H)	C(NPdC)(CCH)(CCO)	H(CCC)	114.5730	0.061	2	114.5730	0.004	2	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NRhC)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NRhC)(CCH)(CCN)	H(CCC)	113.4780	0.000	1	113.4780	0.000	1	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NSnC)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NSnC)(CCH)(CCN)	H(CCC)	113.9450	0.068	2	113.9450	0.005	2	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NSnC)(CCH)(CCO)	H(CCC)	C(CCH)(CCN)(H)	C(NSnC)(CCH)(CCO)	H(CCC)	114.2030	0.054	2	114.2030	0.003	2	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NSrC)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NSrC)(CCH)(CCN)	H(CCC)	113.3120	0.383	2	113.3120	0.147	2	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NZnC)(CCH)(CCN)	H(CCC)	C(CCH)(CCN)(H)	C(NZnC)(CCH)(CCN)	H(CCC)	113.5105	0.118	2	113.5105	0.014	2	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NZnC)(CCH)(CCO)	H(CCC)	C(CCH)(CCN)(H)	C(NZnC)(CCH)(CCO)	H(CCC)	113.8330	0.000	1	113.8330	0.000	1	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCN)(COO)(H)	C(NC[6a]C)(CCH)(COO)	H(CCC)	C(CCN)(COO)(H)	C(NC[6a]C)(CCH)(COO)	H(CCC)	118.2540	0.000	1	118.2540	0.000	1	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCN)(COO)(H)	C(NC[6a]H)(CCH)(COO)	H(CCC)	C(CCN)(COO)(H)	C(NC[6a]H)(CCH)(COO)	H(CCC)	118.7090	0.000	1	118.7090	0.000	1	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Al)(CCH)(CHH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Al)(CCH)(CHH)	H(CCC)	114.6650	0.040	3	114.6650	0.002	3	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CC[5]O)(CCN)(H)	C(NC[6a]H)(CCH)(COO)	H(CCC)	C(CC[5]O)(CCN)(H)	C(NC[6a]H)(CCH)(COO)	H(CCC)	119.1910	0.000	1	119.1910	0.000	1	114.2302	1.818	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:N-3:	C-3:	C(CNN)2(H)	C(NC[6]H)(CCH)(NHH)	H(CCC)	C(CNN)2(H)	C(NC[6]H)(CCH)(NHH)	H(CCC)	114.8833	0.107	3	114.8833	0.011	3	116.2419	1.932	14	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:N-3:	C-3:	C(CNN)2(H)	C(NC[6a]Al)(CCH)(NCC)	H(CCC)	C(CNN)2(H)	C(NC[6a]Al)(CCH)(NCC)	H(CCC)	116.1103	0.716	3	116.1103	0.512	3	116.2419	1.932	14	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:N-3:	C-3:	C(CNN)2(H)	C(NC[6a]Ir)(CCH)(NCC)	H(CCC)	C(CNN)2(H)	C(NC[6a]Ir)(CCH)(NCC)	H(CCC)	117.7440	0.062	2	117.7440	0.004	2	116.2419	1.932	14	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:N-3:	C-3:	C(CNN)2(H)	C(NC[6a]Rh)(CCH)(NCC)	H(CCC)	C(CNN)2(H)	C(NC[6a]Rh)(CCH)(NCC)	H(CCC)	118.5980	0.008	2	118.5980	0.000	2	116.2419	1.932	14	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:N-3:	C-3:	C(CNN)2(H)	C(NC[6a]Zn)(CCH)(NCC)	H(CCC)	C(CNN)2(H)	C(NC[6a]Zn)(CCH)(NCC)	H(CCC)	115.6600	0.006	2	115.6600	0.000	2	116.2419	1.932	14	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:C-3:N-3:	C-3:	C(CNN)2(H)	C(NSiSn)(CCH)(NCC)	H(CCC)	C(CNN)2(H)	C(NSiSn)(CCH)(NCC)	H(CCC)	115.2005	0.094	2	115.2005	0.009	2	116.2419	1.932	14	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:	C(CC[5]H)(CN[5]C)(H)	C(N[5]C[5]2)(CCH)2	H(CCC)	C(CC[5]H)(CN[5]C)(H)	C(N[5]C[5]2)(CCH)2	H(CCC)	114.8530	0.024	2	114.8530	0.001	2	117.0552	3.071	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CCH)(COO)	H(CCC)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CCH)(COO)	H(CCC)	116.7570	0.000	1	116.7570	0.000	1	117.0552	3.071	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdC)(CCH)	H(CCC)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdC)(CCH)	H(CCC)	115.8495	0.111	2	115.8495	0.012	2	117.0552	3.071	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:	C(CN[5]C)(CCH)(H)	C(N[5]C[5]N[5])(CCH)(CCO)	H(CCC)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]N[5])(CCH)(CCO)	H(CCC)	114.1880	0.000	1	114.1880	0.000	1	117.0552	3.071	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:	C(CN[5]C)(CHH)(H)	C(N[5]C[5]2)(CC[6a]H)(CCH)	H(CCC)	C(CN[5]C)(CHH)(H)	C(N[5]C[5]2)(CC[6a]H)(CCH)	H(CCC)	117.4070	0.000	1	117.4070	0.000	1	117.0552	3.071	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CCH)(COO)	H(CCC)	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CCH)(COO)	H(CCC)	118.6602	0.261	6	118.6602	0.068	6	117.0552	3.071	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[5a]-3:C-3:C-3:	C-3:	C(CN[5a]C)(COO)(H)	C(N[5a]C[5a]2)(CCH)(COO)	H(CCC)	C(CN[5a]C)(COO)(H)	C(N[5a]C[5a]2)(CCH)(COO)	H(CCC)	123.1520	0.000	1	123.1520	0.000	1	123.1520	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5a])(CHO)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]N[5a])(CHO)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	118.3577	0.466	7	118.3577	0.218	7	118.3577	0.218	7	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[6,6]-3:C-3:C-3:	C-3:	C(CN[6,6]C)(COO)(H)	C(N[6,6]C[6,6]2)(CCH)(COO)	H(CCC)	C(CN[6,6]C)(COO)(H)	C(N[6,6]C[6,6]2)(CCH)(COO)	H(CCC)	119.3180	0.000	1	119.3180	0.000	1	119.3180	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[6]-3:C-3:C-3:	C-3:	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)(CCO)	H(CCC)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)(CCO)	H(CCC)	113.1630	0.477	2	113.1630	0.227	2	115.9774	3.036	31	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[6]-3:C-3:C-3:	C-3:	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)2	H(CCC)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)2	H(CCC)	114.9262	1.594	10	114.9262	2.541	10	115.9774	3.036	31	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[6]-3:C-3:C-3:	C-3:	C(CN[6]C)(COO)(H)	C(N[6]C[6,6a]C[6])(CCH)(COO)	H(CCC)	C(CN[6]C)(COO)(H)	C(N[6]C[6,6a]C[6])(CCH)(COO)	H(CCC)	119.0370	0.000	1	119.0370	0.000	1	115.9774	3.036	31	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[6]-3:C-3:C-3:	C-3:	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	H(CCC)	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	H(CCC)	116.7041	1.144	18	116.7041	1.308	18	115.9774	3.036	31	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	O-3:C-3:C-3:	C-3:	C(CCH)(CCO)(H)	C(OZn2)(CCH)(CCN)	H(CCC)	C(CCH)(CCO)(H)	C(OZn2)(CCH)(CCN)	H(CCC)	113.7390	0.000	1	113.7390	0.000	1	115.7970	3.190	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	O-3:C-3:C-3:	C-3:	C(CCO)2(H)	C(OCu2)(CCH)2	H(CCC)	C(CCO)2(H)	C(OCu2)(CCH)2	H(CCC)	116.8260	0.167	2	116.8260	0.028	2	115.7970	3.190	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	S-3:C-3:C-3:	C-3:	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CCH)(COO)	H(CCC)	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CCH)(COO)	H(CCC)	115.4250	0.000	1	115.4250	0.000	1	115.3265	0.564	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	S-3:C-3:C-3:	C-3:	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	H(CCC)	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	H(CCC)	114.1110	0.000	1	114.1110	0.000	1	115.3265	0.564	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	S-3:C-3:C-3:	C-3:	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5a]O)(CCH)	H(CCC)	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5a]O)(CCH)	H(CCC)	115.5550	0.218	2	115.5550	0.047	2	115.3265	0.564	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	S-3:C-3:C-3:	C-3:	C(CCH)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	H(CCC)	C(CCH)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	H(CCC)	116.3500	0.000	1	116.3500	0.000	1	115.3265	0.564	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	S-3:C-3:C-3:	C-3:	C(CCH)(CCS)(H)	C(SRuC)(CCH)(CCO)	H(CCC)	C(CCH)(CCS)(H)	C(SRuC)(CCH)(CCO)	H(CCC)	114.9630	0.000	1	114.9630	0.000	1	115.3265	0.564	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	S-3:C[6a]-3:C-3:	C-3:	C(CC[6a]S)(CCH)(H)	C(SC[5x3,5x5,20x6]Co)(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]S)(CCH)(H)	C(SC[5x3,5x5,20x6]Co)(C[6a]C[6a]2)(CCH)	H(CCC)	114.2690	0.228	2	114.2690	0.052	2	114.2690	0.052	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	Se-3:C-3:C-3:	C-3:	C(CSeC)(CCC)(H)	C(SeC[5x3,5x5,20x6]Co)(CCH)(COO)	H(CCC)	C(CSeC)(CCC)(H)	C(SeC[5x3,5x5,20x6]Co)(CCH)(COO)	H(CCC)	114.5450	0.000	1	114.5450	0.000	1	114.5450	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C[6]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6]C[6]2)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6]H)	H(CC[6]C)	C(CC[5a]C[6a])(C[6]C[6]2)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6]H)	H(CC[6]C)	116.3520	0.000	1	116.3520	0.000	1	116.3520	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-3:	C-3:	C(CB[6a]C[6a])(C[6a]C[6a]2)(H)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(CB[6a]C[6a])(C[6a]C[6a]2)(H)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	116.1420	0.000	1	116.1420	0.000	1	116.1420	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	115.1931	0.716	7	115.1931	0.512	7	114.7804	2.691	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	109.6090	0.000	1	109.6090	0.000	1	114.7804	2.691	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	115.1280	0.096	2	115.1280	0.009	2	114.7804	2.691	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	115.6640	0.000	1	115.6640	0.000	1	114.7804	2.691	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	115.1310	0.000	1	115.1310	0.000	1	114.7804	2.691	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	115.1330	0.000	1	115.1330	0.000	1	114.7804	2.691	13	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-3:C-3:	C-3:	C(CC[6a]N[5a])(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CC[6a]H)	H(CC[6a]C)	C(CC[6a]N[5a])(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CC[6a]H)	H(CC[6a]C)	115.3240	0.000	1	115.3240	0.000	1	115.3240	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	B[5a]-3:C[6a]-3:C-3:	C-3:	C(CB[5a]C[6a])(NC[6a]C)(H)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CHN)	H(CCN)	C(CB[5a]C[6a])(NC[6a]C)(H)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CHN)	H(CCN)	114.2370	0.255	2	114.2370	0.065	2	114.2370	0.065	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NCC)(H)	C(CC[6a]C)(CHN)(COO)	H(CCN)	C(CCC)(NCC)(H)	C(CC[6a]C)(CHN)(COO)	H(CCN)	114.4920	0.000	1	114.4920	0.000	1	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNO)	H(CCN)	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNO)	H(CCN)	114.3392	0.391	5	114.3392	0.153	5	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNS)	H(CCN)	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNS)	H(CCN)	114.9530	0.103	2	114.9530	0.011	2	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NCC)(H)	C(CC[6a]O)(CHN)(COO)	H(CCN)	C(CCC)(NCC)(H)	C(CC[6a]O)(CHN)(COO)	H(CCN)	115.6230	0.000	1	115.6230	0.000	1	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NCC)(H)	C(CHN)(CNO)(COO)	H(CCN)	C(CCC)(NCC)(H)	C(CHN)(CNO)(COO)	H(CCN)	116.3100	0.000	1	116.3100	0.000	1	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NCH)(H)	C(CCO)(CHN)(COO)	H(CCN)	C(CCC)(NCH)(H)	C(CCO)(CHN)(COO)	H(CCN)	116.2683	0.127	3	116.2683	0.016	3	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NCH)(H)	C(CCO)2(CHN)	H(CCN)	C(CCC)(NCH)(H)	C(CCO)2(CHN)	H(CCN)	116.5825	0.770	4	116.5825	0.594	4	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	H(CCN)	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	H(CCN)	116.8657	0.275	6	116.8657	0.076	6	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NCH)(H)	C(CC[6a]O)(CHN)(COO)	H(CCN)	C(CCC)(NCH)(H)	C(CC[6a]O)(CHN)(COO)	H(CCN)	116.2670	0.000	1	116.2670	0.000	1	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NCH)(H)	C(CHN)3	H(CCN)	C(CCC)(NCH)(H)	C(CHN)3	H(CCN)	116.2200	0.336	3	116.2200	0.113	3	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NHH)(H)	C(CCO)(CHN)(CNO)	H(CCN)	C(CCC)(NHH)(H)	C(CCO)(CHN)(CNO)	H(CCN)	116.1400	0.000	1	116.1400	0.000	1	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NHH)(H)	C(CCO)2(CHN)	H(CCN)	C(CCC)(NHH)(H)	C(CCO)2(CHN)	H(CCN)	115.9810	0.000	1	115.9810	0.000	1	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NHH)(H)	C(CHN)(COO)2	H(CCN)	C(CCC)(NHH)(H)	C(CHN)(COO)2	H(CCN)	116.2100	0.000	1	116.2100	0.000	1	115.9205	0.955	30	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(NCC)(H)	C(CC[6a]O)(CHN)(NHS)	H(CCN)	C(CCN)(NCC)(H)	C(CC[6a]O)(CHN)(NHS)	H(CCN)	114.2605	0.299	2	114.2605	0.089	2	113.9390	0.355	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCN)(NCC)(H)	C(CCrO)(CHN)(NCC)	H(CCN)	C(CCN)(NCC)(H)	C(CCrO)(CHN)(NCC)	H(CCN)	113.2960	0.000	1	113.2960	0.000	1	113.9390	0.355	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:N-3:N-3:	C-3:	C(CNN)(NOO)(H)	C(CHN)(NCC)(NCH)	H(CCN)	C(CNN)(NOO)(H)	C(CHN)(NCC)(NCH)	H(CCN)	117.6840	0.000	1	117.6840	0.000	1	117.8305	0.043	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C-3:N-3:N-3:	C-3:	C(CNN)(NOO)(H)	C(CHN)(NCH)2	H(CCN)	C(CNN)(NOO)(H)	C(CHN)(NCH)2	H(CCN)	117.9770	0.000	1	117.9770	0.000	1	117.8305	0.043	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(NCC)(H)	C(C[5a]C[5a]N[5a])(CCH)(CHN)	H(CCN)	C(CC[5a]C)(NCC)(H)	C(C[5a]C[5a]N[5a])(CCH)(CHN)	H(CCN)	115.7045	0.302	2	115.7045	0.091	2	115.8267	1.151	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(NCH)(H)	C(C[5a]C[5a]N[5a])(CHN)(COO)	H(CCN)	C(CC[5a]C)(NCH)(H)	C(C[5a]C[5a]N[5a])(CHN)(COO)	H(CCN)	114.8470	0.243	2	114.8470	0.059	2	115.8267	1.151	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(NCH)(H)	C(C[5a]N[5a]2)(CHN)(COO)	H(CCN)	C(CC[5a]C)(NCH)(H)	C(C[5a]N[5a]2)(CHN)(COO)	H(CCN)	117.7120	0.000	1	117.7120	0.000	1	115.8267	1.151	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(NCS)(H)	C(C[5a]C[5a]N[5a])(CHN)2	H(CCN)	C(CC[5a]C)(NCS)(H)	C(C[5a]C[5a]N[5a])(CHN)2	H(CCN)	116.1450	0.000	1	116.1450	0.000	1	115.8267	1.151	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(NCS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	H(CCN)	C(CC[5a]C[6a])(NCS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	H(CCN)	116.1880	2.454	2	116.1880	6.020	2	116.3875	2.062	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(NNiC)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	H(CCN)	C(CC[5a]C[6a])(NNiC)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	H(CCN)	116.5870	0.082	2	116.5870	0.007	2	116.3875	2.062	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[6])(NCC)(H)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CHN)	H(CCN)	C(CC[6a]C[6])(NCC)(H)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CHN)	H(CCN)	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(COO)	H(CCN)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(COO)	H(CCN)	114.0267	0.313	6	114.0267	0.098	6	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	114.0210	0.146	2	114.0210	0.021	2	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]N[6a])(CHN)(CHO)	H(CCN)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]N[6a])(CHN)(CHO)	H(CCN)	114.9000	0.000	1	114.9000	0.000	1	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NCC)(H)	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	H(CCN)	C(CC[6a]C)(NCC)(H)	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	H(CCN)	114.1730	0.000	1	114.1730	0.000	1	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CCO)(CHN)	H(CCN)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CCO)(CHN)	H(CCN)	116.3585	0.037	2	116.3585	0.001	2	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(CHO)	H(CCN)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(CHO)	H(CCN)	116.4940	0.000	1	116.4940	0.000	1	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(COO)	H(CCN)	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(COO)	H(CCN)	116.2460	0.000	1	116.2460	0.000	1	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CCO)(CHN)	H(CCN)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CCO)(CHN)	H(CCN)	117.4410	0.000	1	117.4410	0.000	1	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)(CHO)	H(CCN)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)(CHO)	H(CCN)	116.6515	0.600	2	116.6515	0.360	2	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)(COO)	H(CCN)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)(COO)	H(CCN)	116.8090	0.806	4	116.8090	0.650	4	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	116.8680	0.992	3	116.8680	0.985	3	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NHS)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(CC[6a]C)(NHS)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	117.7770	0.000	1	117.7770	0.000	1	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(COO)	H(CCN)	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(COO)	H(CCN)	119.0050	0.577	2	119.0050	0.333	2	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NZnC)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(CC[6a]C)(NZnC)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	116.5410	0.445	2	116.5410	0.198	2	116.0064	2.544	29	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(NOO)	H(CCN)	C(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(NOO)	H(CCN)	115.7120	0.000	1	115.7120	0.000	1	118.1275	2.638	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCC)	H(CCN)	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCC)	H(CCN)	118.8430	0.294	2	118.8430	0.087	2	118.1275	2.638	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCH)	H(CCN)	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCH)	H(CCN)	119.1120	0.000	1	119.1120	0.000	1	118.1275	2.638	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(NCC)(H)	C(C[6a]C[6a]2)2(CHN)	H(CCN)	C(CC[6a]2)(NCC)(H)	C(C[6a]C[6a]2)2(CHN)	H(CCN)	116.3256	0.320	7	116.3256	0.102	7	116.7226	0.500	11	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHN)	H(CCN)	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHN)	H(CCN)	117.9870	0.030	2	117.9870	0.001	2	116.7226	0.500	11	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a]2)2(CHN)	H(CCN)	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a]2)2(CHN)	H(CCN)	116.8480	0.218	2	116.8480	0.047	2	116.7226	0.500	11	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(NC[6a]B)(H)	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	H(CCN)	C(CC[6a]N)(NC[6a]B)(H)	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	H(CCN)	115.4350	0.000	1	115.4350	0.000	1	117.9880	13.036	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(NFeC)(H)	C(C[6a]C[6a]2)(NFeC)(CHN)	H(CCN)	C(CC[6a]N)(NFeC)(H)	C(C[6a]C[6a]2)(NFeC)(CHN)	H(CCN)	120.5410	0.000	1	120.5410	0.000	1	117.9880	13.036	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:N[6]-3:C-3:	C-3:	C(CC[6a]N[6])(NC[6a]S)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	H(CCN)	C(CC[6a]N[6])(NC[6a]S)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	H(CCN)	115.4250	0.000	1	115.4250	0.000	1	120.0805	43.347	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:N[6]-3:C-3:	C-3:	C(CC[6a]N[6])(NOO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	H(CCN)	C(CC[6a]N[6])(NOO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	H(CCN)	124.7360	0.000	1	124.7360	0.000	1	120.0805	43.347	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	N[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5a])(NHS)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	H(CCN)	C(CC[6a]N[5a])(NHS)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	H(CCN)	118.5650	0.294	2	118.5650	0.087	2	118.5650	0.087	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C-3:S-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(SCO)(H)	C(C[6a]C[6a]2)(CCC)(CHS)	H(CCS)	C(CC[6a]C)(SCO)(H)	C(C[6a]C[6a]2)(CCC)(CHS)	H(CCS)	118.9930	0.000	1	118.9930	0.000	1	118.9930	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[3]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[3]H)	H(CC[3]C)	C(C[3]C[3]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[3]H)	H(CC[3]C)	118.4510	0.000	1	118.4510	0.000	1	118.4510	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CCC)(COO)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CCC)(COO)	H(CC[5]C)	115.1160	0.000	1	115.1160	0.000	1	116.9073	6.989	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(COO)2	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(COO)2	H(CC[5]C)	115.9060	0.000	1	115.9060	0.000	1	116.9073	6.989	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C(CC[5a]H)(CC[6a]O)(CC[5]H)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C(CC[5a]H)(CC[6a]O)(CC[5]H)	H(CC[5]C)	115.7680	0.000	1	115.7680	0.000	1	116.9073	6.989	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5]C[5]O[5])(CCC)(H)	C(CC[5]H)(CCO)(COO)	H(CC[5]C)	C(C[5]C[5]O[5])(CCC)(H)	C(CC[5]H)(CCO)(COO)	H(CC[5]C)	120.8390	0.000	1	120.8390	0.000	1	116.9073	6.989	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:	C(C[5]C[5]2)(CC[5]C)(H)	C(C[5]N[5]2)(CC[6a]O)(CC[5]H)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]C)(H)	C(C[5]N[5]2)(CC[6a]O)(CC[5]H)	H(CC[5]C)	108.8735	0.636	2	108.8735	0.404	2	113.5335	13.218	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5]C)(H)	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5]C)(H)	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	H(CC[5]C)	115.8635	0.424	4	115.8635	0.180	4	113.5335	13.218	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C-3:O-3:	C-3:	C(C[5]N[5]2)(CC[5]O)(H)	C(C[5]N[5]2)(CC[5]H)(OCo2)	H(CC[5]C)	C(C[5]N[5]2)(CC[5]O)(H)	C(C[5]N[5]2)(CC[5]H)(OCo2)	H(CC[5]C)	116.8923	0.133	6	116.8923	0.018	6	116.8923	0.018	6	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCC)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCC)	H(CC[5]C)	112.1940	0.000	1	112.1940	0.000	1	115.3162	4.358	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	H(CC[5]C)	116.2740	0.185	2	116.2740	0.034	2	115.3162	4.358	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[5]N[5,5]O[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCC)	H(CC[5]C)	C(C[5]N[5,5]O[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCC)	H(CC[5]C)	116.5230	0.000	1	116.5230	0.000	1	115.3162	4.358	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCuC)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCuC)	H(CC[5]C)	117.0950	0.000	1	117.0950	0.000	1	117.0950	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]C)	115.7890	0.769	2	115.7890	0.592	2	115.6047	0.404	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]Si[5]C[5])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]C)	C(C[5]Si[5]C[5])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]C)	115.4205	0.695	2	115.4205	0.483	2	115.6047	0.404	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a,6])(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a,6])(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	115.7880	0.000	1	115.7880	0.000	1	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CC[5a]H)(CCO)(COO)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CC[5a]H)(CCO)(COO)	H(CC[5a]C)	113.1740	0.000	1	113.1740	0.000	1	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	115.6593	0.583	3	115.6593	0.340	3	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a]2)(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	C(C[5a]C[5a]2)(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	115.1830	0.000	1	115.1830	0.000	1	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCC)(COO)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCC)(COO)	H(CC[5a]C)	116.3590	0.106	2	116.3590	0.011	2	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCH)(CCO)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCH)(CCO)	H(CC[5a]C)	114.9600	0.014	2	114.9600	0.000	2	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCO)(COO)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCO)(COO)	H(CC[5a]C)	116.5590	0.000	1	116.5590	0.000	1	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CC[6a]O)(CC[5]H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CC[6a]O)(CC[5]H)	H(CC[5a]C)	114.4750	0.000	1	114.4750	0.000	1	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	116.6213	3.637	3	116.6213	13.229	3	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CCO)(COO)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CCO)(COO)	H(CC[5a]C)	119.4010	0.000	1	119.4010	0.000	1	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	116.4070	0.000	1	116.4070	0.000	1	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CCC)(CHO)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CCC)(CHO)	H(CC[5a]C)	115.6340	0.247	2	115.6340	0.061	2	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(COO)2	H(CC[5a]C)	114.5850	0.000	1	114.5850	0.000	1	115.8160	2.937	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCN)(H)	C(CC[5a]H)(COO)(NCH)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCN)(H)	C(CC[5a]H)(COO)(NCH)	H(CC[5a]C)	115.7900	0.000	1	115.7900	0.000	1	115.4075	0.084	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CC[5a]H)(CNO)(NCH)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CC[5a]H)(CNO)(NCH)	H(CC[5a]C)	115.1830	0.010	2	115.1830	0.000	2	115.4075	0.084	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CC[5a]H)(COO)(NCH)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CC[5a]H)(COO)(NCH)	H(CC[5a]C)	115.4740	0.000	1	115.4740	0.000	1	115.4075	0.084	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C-3:N-3:N-3:	C-3:	C(C[5a]C[5a]O[5a])(CNN)(H)	C(CC[5a]H)(NCN)(NOO)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CNN)(H)	C(CC[5a]H)(NCN)(NOO)	H(CC[5a]C)	114.9820	0.000	1	114.9820	0.000	1	114.9820	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[5a]H)(COO)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[5a]H)(COO)	H(CC[5a]C)	115.3940	0.000	1	115.3940	0.000	1	115.3940	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[5a]C[6a])(H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[5a]C[6a])(H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]C)	116.7960	0.000	1	116.7960	0.000	1	116.8218	0.008	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(CC[5a]C[6a])(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[5a]C[6a])(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]C)	116.7160	0.000	1	116.7160	0.000	1	116.8218	0.008	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]C)	116.8875	0.067	2	116.8875	0.005	2	116.8218	0.008	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	H(CC[5a]C)	114.1540	0.000	1	114.1540	0.000	1	116.3657	1.226	10	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CNO)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CNO)	H(CC[5a]C)	116.1030	0.119	2	116.1030	0.014	2	116.3657	1.226	10	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(COO)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(COO)	H(CC[5a]C)	116.8540	0.517	3	116.8540	0.267	3	116.3657	1.226	10	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCO)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCO)	H(CC[5a]C)	114.9770	0.000	1	114.9770	0.000	1	116.3657	1.226	10	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	H(CC[5a]C)	117.2527	0.473	3	117.2527	0.224	3	116.3657	1.226	10	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:S-3:	C-3:	C(C[5a]N[5a]S[5a])(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[5a]H)(SCO)	H(CC[5a]C)	C(C[5a]N[5a]S[5a])(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[5a]H)(SCO)	H(CC[5a]C)	120.4670	0.000	1	120.4670	0.000	1	120.4670	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	H(CC[5a]C)	115.5460	0.000	1	115.5460	0.000	1	115.7592	1.525	11	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a,6a]O[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	H(CC[5a]C)	C(C[5a]C[5a,6a]O[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	H(CC[5a]C)	115.9860	0.000	1	115.9860	0.000	1	115.7592	1.525	11	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	H(CC[5a]C)	117.4677	0.469	3	117.4677	0.220	3	115.7592	1.525	11	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	H(CC[5a]C)	115.0096	0.549	5	115.0096	0.302	5	115.7592	1.525	11	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a]O[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	H(CC[5a]C)	C(C[5a]N[5a]O[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	H(CC[5a]C)	114.3680	0.000	1	114.3680	0.000	1	115.7592	1.525	11	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N[5]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	H(CC[5a]C)	115.9760	0.000	1	115.9760	0.000	1	116.1740	0.078	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N[5]-3:C-3:	C-3:	C(C[5a]N[5a,6]C[5a])(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	H(CC[5a]C)	C(C[5a]N[5a,6]C[5a])(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	H(CC[5a]C)	116.3720	0.000	1	116.3720	0.000	1	116.1740	0.078	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	N[4]-3:C-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(CN[4]C)(H)	C(N[4]C[4,5]C[4])(CC[5a]H)(COO)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CN[4]C)(H)	C(N[4]C[4,5]C[4])(CC[5a]H)(COO)	H(CC[5a]C)	116.5550	0.000	1	116.5550	0.000	1	116.5550	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	N[5a]-3:C-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(CN[5a]C)(H)	C(N[5a]C[5a]2)(CC[5a]H)(CC[6a]O)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CN[5a]C)(H)	C(N[5a]C[5a]2)(CC[5a]H)(CC[6a]O)	H(CC[5a]C)	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	N[5a]-3:C[6a]-3:C-3:	C-3:	C(C[5a]N[5a,6a]C[5a])(CC[6a]N[5a])(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]C)	C(C[5a]N[5a,6a]C[5a])(CC[6a]N[5a])(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	H(CC[5a]C)	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]C)(H)	C(C[5]C[5,6]C[5])(CC[6]H)(CHH)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]C)(H)	C(C[5]C[5,6]C[5])(CC[6]H)(CHH)	H(CC[6]C)	114.8590	0.000	1	114.8590	0.000	1	114.0055	1.457	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:	C(C[6]C[6]2)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6]H)(CHO)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6]H)(CHO)	H(CC[6]C)	113.1520	0.000	1	113.1520	0.000	1	114.0055	1.457	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	H(CC[6]C)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	H(CC[6]C)	117.2990	0.000	1	117.2990	0.000	1	116.1903	2.045	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	H(CC[6]C)	116.6960	0.000	1	116.6960	0.000	1	116.1903	2.045	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	H(CC[6]C)	114.5760	0.000	1	114.5760	0.000	1	116.1903	2.045	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NPbSi)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NPbSi)	H(CC[6]C)	115.2525	2.207	2	115.2525	4.870	2	115.2992	2.579	5	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NSiSn)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NSiSn)	H(CC[6]C)	115.3495	2.331	2	115.3495	5.435	2	115.2992	2.579	5	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NSiZn)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NSiZn)	H(CC[6]C)	115.2920	0.000	1	115.2920	0.000	1	115.2992	2.579	5	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:O-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(ORu2)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(ORu2)	H(CC[6]C)	115.2403	0.858	4	115.2403	0.736	4	115.3291	0.333	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:O-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OZn2)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OZn2)	H(CC[6]C)	115.4180	0.141	4	115.4180	0.020	4	115.3291	0.333	8	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	116.3580	0.000	1	116.3580	0.000	1	115.9470	0.118	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	C(C[6]C[6]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	115.8100	0.255	3	115.8100	0.065	3	115.9470	0.118	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CC[6]H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CC[6]H)	H(CC[6]C)	115.4365	0.294	4	115.4365	0.086	4	115.3617	0.217	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Co)(CC[6]H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Co)(CC[6]H)	H(CC[6]C)	115.0540	0.431	2	115.0540	0.186	2	115.3617	0.217	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Cu)(CC[6]H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Cu)(CC[6]H)	H(CC[6]C)	115.9630	0.373	2	115.9630	0.139	2	115.3617	0.217	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Fe)(CC[6]H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Fe)(CC[6]H)	H(CC[6]C)	114.8375	0.452	2	114.8375	0.204	2	115.3617	0.217	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CC[6]H)	H(CC[6]C)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CC[6]H)	H(CC[6]C)	115.4425	0.313	2	115.4425	0.098	2	115.3617	0.217	12	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	B[6a]-3:B[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CB[6a]2)(H)	C(B[6a]N[6a]2)2(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[6a]2)(H)	C(B[6a]N[6a]2)2(CC[6a]H)	H(CC[6a]C)	115.7900	0.000	1	115.7900	0.000	1	115.7900	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CC[6a]H)(CCN)2	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CC[6a]H)(CCN)2	H(CC[6a]C)	117.7470	0.106	2	117.7470	0.011	2	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CC[6a]H)(CCO)2	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CC[6a]H)(CCO)2	H(CC[6a]C)	116.8815	0.056	2	116.8815	0.003	2	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CC[6a]H)(COO)2	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CC[6a]H)(COO)2	H(CC[6a]C)	116.4520	0.463	3	116.4520	0.214	3	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CCO)2	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CCO)2	H(CC[6a]C)	115.1060	0.000	1	115.1060	0.000	1	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CC[6a]O)2	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CC[6a]O)2	H(CC[6a]C)	119.0610	0.000	1	119.0610	0.000	1	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCC)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCC)(COO)	H(CC[6a]C)	116.4285	0.094	2	116.4285	0.009	2	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCH)(CHO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCH)(CHO)	H(CC[6a]C)	114.9470	0.000	1	114.9470	0.000	1	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCH)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCH)(COO)	H(CC[6a]C)	115.2170	0.171	2	115.2170	0.029	2	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCN)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCN)2	H(CC[6a]C)	116.4320	0.000	2	116.4320	0.000	2	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCO)(CNO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCO)(CNO)	H(CC[6a]C)	115.2920	0.000	1	115.2920	0.000	1	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCO)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCO)(COO)	H(CC[6a]C)	115.0707	1.595	7	115.0707	2.546	7	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCO)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCO)2	H(CC[6a]C)	115.2138	1.067	4	115.2138	1.139	4	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[5]C)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[5]C)(COO)	H(CC[6a]C)	120.6350	0.000	1	120.6350	0.000	1	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6]O)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6]O)(COO)	H(CC[6a]C)	115.9690	0.000	1	115.9690	0.000	1	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(CCO)	H(CC[6a]C)	114.4460	0.278	4	114.4460	0.077	4	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(COO)	H(CC[6a]C)	115.1790	0.506	2	115.1790	0.256	2	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)2	H(CC[6a]C)	113.8120	0.000	1	113.8120	0.000	1	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CNN)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CNN)(COO)	H(CC[6a]C)	114.1050	0.358	2	114.1050	0.128	2	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CN[6]O)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CN[6]O)(COO)	H(CC[6a]C)	116.2380	0.000	1	116.2380	0.000	1	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(COO)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(COO)2	H(CC[6a]C)	114.9606	1.217	7	114.9606	1.481	7	115.6011	2.257	47	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(CC[6a]H)(CC[6a]O)(NOO)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(CC[6a]H)(CC[6a]O)(NOO)	H(CC[6a]C)	112.5380	4.555	2	112.5380	20.750	2	114.7763	2.375	25	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCO)(NCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCO)(NCH)	H(CC[6a]C)	114.2590	1.363	2	114.2590	1.859	2	114.7763	2.375	25	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CNO)(NCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CNO)(NCH)	H(CC[6a]C)	115.1477	0.807	15	115.1477	0.652	15	114.7763	2.375	25	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(COO)(NCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(COO)(NCH)	H(CC[6a]C)	114.1800	0.975	4	114.1800	0.951	4	114.7763	2.375	25	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(COO)(NCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(COO)(NCO)	H(CC[6a]C)	114.2560	0.000	1	114.2560	0.000	1	114.7763	2.375	25	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(CCN)(H)	C(CC[6a]H)(COO)(NCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCN)(H)	C(CC[6a]H)(COO)(NCH)	H(CC[6a]C)	117.6210	0.000	1	117.6210	0.000	1	114.7763	2.375	25	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CCN)(H)	C(CC[6a]H)(NC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCN)(H)	C(CC[6a]H)(NC[6a]H)(COO)	H(CC[6a]C)	117.8000	0.321	2	117.8000	0.103	2	117.8000	0.103	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-3:	C-3:	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(NCH)(NCS)	H(CC[6a]C)	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(NCH)(NCS)	H(CC[6a]C)	115.0620	1.170	2	115.0620	1.368	2	115.3972	0.720	5	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-3:	C-3:	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(NCN)(NOO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(NCN)(NOO)	H(CC[6a]C)	115.2520	0.567	2	115.2520	0.322	2	115.3972	0.720	5	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-3:	C-3:	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(NCS)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CNN)(H)	C(CC[6a]H)(NCS)2	H(CC[6a]C)	116.3580	0.000	1	116.3580	0.000	1	115.3972	0.720	5	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:S-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(SAg2)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(SAg2)(COO)	H(CC[6a]C)	116.7080	0.000	1	116.7080	0.000	1	116.7080	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:S-3:S-3:	C-3:	C(C[6a]C[6a]2)(CSS)(H)	C(CC[6a]H)(SFe2)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CSS)(H)	C(CC[6a]H)(SFe2)2	H(CC[6a]C)	116.9770	0.000	1	116.9770	0.000	1	116.9770	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[4]-3:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CC[4]N)(H)	C(C[4]C[4]2)(CC[6a]H)(NCS)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4]N)(H)	C(C[4]C[4]2)(CC[6a]H)(NCS)	H(CC[6a]C)	113.4305	0.207	2	113.4305	0.043	2	113.4305	0.043	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(CC[6a]H)(CNO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(CC[6a]H)(CNO)	H(CC[6a]C)	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	116.1960	0.000	1	116.1960	0.000	1	116.2233	0.710	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	116.2370	1.191	2	116.2370	1.418	2	116.2233	0.710	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCH)	H(CC[6a]C)	115.3240	0.000	1	115.3240	0.000	1	114.1809	0.438	7	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(COO)	H(CC[6a]C)	114.0457	0.546	3	114.0457	0.298	3	114.1809	0.438	7	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCH)	H(CC[6a]C)	113.3660	0.000	1	113.3660	0.000	1	114.1809	0.438	7	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(CCO)	H(CC[6a]C)	114.2195	0.063	2	114.2195	0.004	2	114.1809	0.438	7	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	114.4920	0.280	2	114.4920	0.078	2	114.4920	0.078	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:B[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	H(CC[6a]C)	115.0622	0.700	5	115.0622	0.490	5	115.0622	0.490	5	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	H(CC[6a]C)	115.5940	0.119	2	115.5940	0.014	2	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	H(CC[6a]C)	115.9870	0.000	1	115.9870	0.000	1	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	H(CC[6a]C)	114.6402	0.316	4	114.6402	0.100	4	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	H(CC[6a]C)	116.0460	1.082	8	116.0460	1.171	8	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	H(CC[6a]C)	115.0327	1.589	3	115.0327	2.526	3	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	H(CC[6a]C)	115.1567	1.016	3	115.1567	1.032	3	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	115.2772	0.392	6	115.2772	0.153	6	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	H(CC[6a]C)	115.1208	0.486	6	115.1208	0.236	6	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	H(CC[6a]C)	115.5039	0.923	9	115.5039	0.852	9	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	H(CC[6a]C)	113.8390	0.000	1	113.8390	0.000	1	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	H(CC[6a]C)	115.5004	0.948	16	115.5004	0.899	16	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	H(CC[6a]C)	114.9750	0.000	1	114.9750	0.000	1	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	H(CC[6a]C)	114.8910	0.000	1	114.8910	0.000	1	115.3821	0.803	61	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	H(CC[6a]C)	115.5370	0.663	2	115.5370	0.440	2	116.1811	1.040	10	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	H(CC[6a]C)	115.8983	1.722	3	115.8983	2.964	3	116.1811	1.040	10	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	H(CC[6a]C)	116.9740	0.000	1	116.9740	0.000	1	116.1811	1.040	10	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	H(CC[6a]C)	116.4083	0.593	3	116.4083	0.352	3	116.1811	1.040	10	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	H(CC[6a]C)	116.8430	0.000	1	116.8430	0.000	1	116.1811	1.040	10	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:S-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[6a]H)(SCC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[6a]H)(SCC)	H(CC[6a]C)	115.7170	0.000	1	115.7170	0.000	1	115.7170	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	H(CC[6a]C)	115.4415	0.204	4	115.4415	0.041	4	115.4415	0.041	4	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	H(CC[6a]C)	117.1493	0.376	3	117.1493	0.141	3	115.5856	0.903	74	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	H(CC[6a]C)	115.5150	0.000	1	115.5150	0.000	1	115.5856	0.903	74	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	115.4650	0.254	3	115.4650	0.064	3	115.5856	0.903	74	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	H(CC[6a]C)	115.5430	0.956	59	115.5430	0.915	59	115.5856	0.903	74	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	115.6540	0.000	1	115.6540	0.000	1	115.5856	0.903	74	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	H(CC[6a]C)	115.3264	0.865	7	115.3264	0.748	7	115.5856	0.903	74	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]H)	H(CC[6a]C)	113.9270	0.000	1	113.9270	0.000	1	113.9270	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]2)(CC[6a]H)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]2)(CC[6a]H)(CCH)	H(CC[6a]C)	116.0640	0.000	1	116.0640	0.000	1	115.2990	1.170	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	114.5340	0.000	1	114.5340	0.000	1	115.2990	1.170	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CN[5]N)(H)	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]N)(H)	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	H(CC[6a]C)	114.6060	0.000	1	114.6060	0.000	1	114.6060	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C(N[5a]C[5a]2)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C(N[5a]C[5a]2)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	115.7073	1.062	4	115.7073	1.127	4	115.2799	1.819	21	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	117.6820	0.156	2	117.6820	0.024	2	115.2799	1.819	21	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]C[5a,6a]2)(CC[6a]H)(CNO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]C[5a,6a]2)(CC[6a]H)(CNO)	H(CC[6a]C)	113.6470	0.000	1	113.6470	0.000	1	115.2799	1.819	21	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]C[5a,6a]N[5a])(CC[6a]H)(COO)	H(CC[6a]C)	114.2602	0.862	4	114.2602	0.743	4	115.2799	1.819	21	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	115.3443	1.102	9	115.3443	1.214	9	115.2799	1.819	21	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]N[5a]2)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]N[5a]2)(CC[6a]H)(COO)	H(CC[6a]C)	113.8970	0.000	1	113.8970	0.000	1	115.2799	1.819	21	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:N[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]2)(H)	C(N[5a]C[5a]N[5a])(N[5a]C[5a]2)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]2)(H)	C(N[5a]C[5a]N[5a])(N[5a]C[5a]2)(CC[6a]H)	H(CC[6a]C)	115.4700	0.000	1	115.4700	0.000	1	116.2225	1.133	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:N[5a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5a]2)(H)	C(N[5a]C[5a]N[5a])2(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]2)(H)	C(N[5a]C[5a]N[5a])2(CC[6a]H)	H(CC[6a]C)	116.9750	0.000	1	116.9750	0.000	1	116.2225	1.133	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6a]C)(H)	C(N[6a]C[6a]2)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[6a]C)(H)	C(N[6a]C[6a]2)(CC[6a]H)(COO)	H(CC[6a]C)	114.4140	0.000	1	114.4140	0.000	1	114.4140	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N[6a]-3:N[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN[6a]2)(H)	C(N[6a]C[6a]2)2(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[6a]2)(H)	C(N[6a]C[6a]2)2(CC[6a]H)	H(CC[6a]C)	117.1830	0.000	1	117.1830	0.000	1	117.1830	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6]Ni)(CCC)(H)	C(CCN)(CCO)(CHN)	H(CCN)	C(NC[6]Ni)(CCC)(H)	C(CCN)(CCO)(CHN)	H(CCN)	116.8285	0.251	4	116.8285	0.063	4	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]C)(CCC)(H)	C(CCC)(CHN)(COO)	H(CCN)	C(NC[6a]C)(CCC)(H)	C(CCC)(CHN)(COO)	H(CCN)	114.1470	0.000	1	114.1470	0.000	1	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]Cu)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	C(NC[6a]Cu)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	116.7500	0.263	6	116.7500	0.069	6	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]Cu)(CCC)(H)	C(CHN)(COO)2	H(CCN)	C(NC[6a]Cu)(CCC)(H)	C(CHN)(COO)2	H(CCN)	116.5725	0.361	2	116.5725	0.131	2	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]Fe)(CCC)(H)	C(CCO)(CHN)(COO)	H(CCN)	C(NC[6a]Fe)(CCC)(H)	C(CCO)(CHN)(COO)	H(CCN)	116.6238	0.448	6	116.6238	0.200	6	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]Fe)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	C(NC[6a]Fe)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	116.5138	0.446	4	116.5138	0.199	4	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CCC)(CHN)(COO)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CCC)(CHN)(COO)	H(CCN)	117.4690	0.000	1	117.4690	0.000	1	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CCN)(CHN)(COO)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CCN)(CHN)(COO)	H(CCN)	117.1030	0.000	1	117.1030	0.000	1	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CCO)(CHN)(COO)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CCO)(CHN)(COO)	H(CCN)	117.1958	0.373	4	117.1958	0.139	4	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	116.7380	0.000	1	116.7380	0.000	1	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CCO)(CHN)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CCO)(CHN)	H(CCN)	117.6405	1.251	2	117.6405	1.565	2	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CHN)(COO)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CHN)(COO)	H(CCN)	117.8220	0.000	1	117.8220	0.000	1	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CHN)2	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CHN)2	H(CCN)	117.2875	0.062	2	117.2875	0.004	2	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CHN)(CNO)(COO)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CHN)(CNO)(COO)	H(CCN)	117.1510	0.000	1	117.1510	0.000	1	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CHN)(COO)2	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CHN)(COO)2	H(CCN)	116.7747	0.434	12	116.7747	0.189	12	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]Ni)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	C(NC[6a]Ni)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	116.6905	0.047	2	116.6905	0.002	2	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]Zn)(CCC)(H)	C(CHN)(COO)2	H(CCN)	C(NC[6a]Zn)(CCC)(H)	C(CHN)(COO)2	H(CCN)	116.3870	0.204	4	116.3870	0.042	4	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NCoC)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	C(NCoC)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	116.3330	0.358	4	116.3330	0.128	4	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NCuC)(CCC)(H)	C(CHN)(COO)2	H(CCN)	C(NCuC)(CCC)(H)	C(CHN)(COO)2	H(CCN)	116.2180	0.000	1	116.2180	0.000	1	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NCuC)(CCC)(H)	C(CHN)2(COO)	H(CCN)	C(NCuC)(CCC)(H)	C(CHN)2(COO)	H(CCN)	117.6698	1.829	12	117.6698	3.345	12	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NCuC)(CCC)(H)	C(CHN)3	H(CCN)	C(NCuC)(CCC)(H)	C(CHN)3	H(CCN)	117.6340	0.241	4	117.6340	0.058	4	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NFeC)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	C(NFeC)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	116.3547	0.472	8	116.3547	0.223	8	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NNiC)(CCC)(H)	C(CCN)(CCO)(CHN)	H(CCN)	C(NNiC)(CCC)(H)	C(CCN)(CCO)(CHN)	H(CCN)	116.7235	0.354	2	116.7235	0.126	2	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NNiC)(CCC)(H)	C(CCN)2(CHN)	H(CCN)	C(NNiC)(CCC)(H)	C(CCN)2(CHN)	H(CCN)	116.8872	1.682	5	116.8872	2.829	5	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NNiC)(CCC)(H)	C(CHN)3	H(CCN)	C(NNiC)(CCC)(H)	C(CHN)3	H(CCN)	117.8460	0.137	2	117.8460	0.019	2	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(NZnC)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	C(NZnC)(CCC)(H)	C(CCO)2(CHN)	H(CCN)	116.5410	0.263	2	116.5410	0.069	2	116.8901	0.922	94	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(NC[6a]Cu)(CCN)(H)	C(CHN)2(NOO)	H(CCN)	C(NC[6a]Cu)(CCN)(H)	C(CHN)2(NOO)	H(CCN)	117.8091	0.711	10	117.8091	0.505	10	118.0742	0.507	17	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(NC[6a]H)(CCN)(H)	C(CHN)2(NOO)	H(CCN)	C(NC[6a]H)(CCN)(H)	C(CHN)2(NOO)	H(CCN)	118.8167	0.547	3	118.8167	0.299	3	118.0742	0.507	17	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(NC[6a]H)(CCN)(H)	C(CN[5]O)(CHN)(NCH)	H(CCN)	C(NC[6a]H)(CCN)(H)	C(CN[5]O)(CHN)(NCH)	H(CCN)	118.4700	0.362	2	118.4700	0.131	2	118.0742	0.507	17	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(NC[6a]Rh)(CCN)(H)	C(CHN)2(NOO)	H(CCN)	C(NC[6a]Rh)(CCN)(H)	C(CHN)2(NOO)	H(CCN)	117.8905	0.322	2	117.8905	0.104	2	118.0742	0.507	17	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:	C(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5]N[5])(CHN)2	H(CCN)	C(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5]N[5])(CHN)2	H(CCN)	118.0643	0.361	4	118.0643	0.130	4	117.5443	0.152	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:	C(NC[6a]Ni)(CC[5]C)(H)	C(C[5]C[5]N[5])(CHN)2	H(CCN)	C(NC[6a]Ni)(CC[5]C)(H)	C(C[5]C[5]N[5])(CHN)2	H(CCN)	117.4143	0.277	16	117.4143	0.077	16	117.5443	0.152	20	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(NC[6a]Al)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(NC[6a]Al)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	116.6505	0.433	2	116.6505	0.188	2	116.1482	0.804	33	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(NC[6a]As)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(NC[6a]As)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	114.5745	0.284	2	114.5745	0.080	2	116.1482	0.804	33	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(NC[6a]Cu)(CC[6a]C)(H)	C(C[6a]C[6,6a]C[6a])(CHN)2	H(CCN)	C(NC[6a]Cu)(CC[6a]C)(H)	C(C[6a]C[6,6a]C[6a])(CHN)2	H(CCN)	116.3428	0.569	5	116.3428	0.323	5	116.1482	0.804	33	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(NC[6a]Cu)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(NC[6a]Cu)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	116.2070	0.298	2	116.2070	0.089	2	116.1482	0.804	33	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(NC[6a]Li)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(NC[6a]Li)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	116.0400	0.415	4	116.0400	0.173	4	116.1482	0.804	33	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(NC[6a]Sb)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(NC[6a]Sb)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	115.8787	1.457	8	115.8787	2.122	8	116.1482	0.804	33	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(NC[6a]Zn)(CC[6a]C)(H)	C(C[6a]C[6,6a]C[6a])(CHN)2	H(CCN)	C(NC[6a]Zn)(CC[6a]C)(H)	C(C[6a]C[6,6a]C[6a])(CHN)2	H(CCN)	116.4327	0.208	8	116.4327	0.043	8	116.1482	0.804	33	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(NC[6a]Zn)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	C(NC[6a]Zn)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	H(CCN)	116.8305	0.745	2	116.8305	0.554	2	116.1482	0.804	33	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(NFeO)(CCN)(H)	C(NFeO)(CCN)(CHN)	H(CCN)	C(NFeO)(CCN)(H)	C(NFeO)(CCN)(CHN)	H(CCN)	124.9230	0.000	1	124.9230	0.000	1	124.9230	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	N-3:N-3:C-3:	C-3:	C(NNiO)(CNN)(H)	C(NC[6a]H)(NNiO)(CHN)	H(CCN)	C(NNiO)(CNN)(H)	C(NC[6a]H)(NNiO)(CHN)	H(CCN)	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N[3]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[3]C[3]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[3]H)	H(CN[3]C)	C(N[3]C[3]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[3]H)	H(CN[3]C)	117.8560	0.000	1	117.8560	0.000	1	117.8560	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(N[5]C[5]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CN[5]H)(COO)	H(CN[5]C)	C(N[5]C[5]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CN[5]H)(COO)	H(CN[5]C)	115.6700	0.733	2	115.6700	0.537	2	115.6700	0.537	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	H(CN[5]C)	115.8763	0.211	3	115.8763	0.045	3	115.8763	0.045	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[5]H)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[5]H)	H(CN[5]C)	115.2260	0.000	1	115.2260	0.000	1	115.2260	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(N[5]C[5]N[5])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CN[5]H)	H(CN[5]C)	C(N[5]C[5]N[5])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CN[5]H)	H(CN[5]C)	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]C[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[5a]H)	H(CN[5a]C)	C(N[5a]C[5a,6a]C[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[5a]H)	H(CN[5a]C)	115.1500	0.000	1	115.1500	0.000	1	115.5555	0.329	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]S[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[5a]H)	H(CN[5a]C)	C(N[5a]C[5a,6a]S[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[5a]H)	H(CN[5a]C)	115.9610	0.000	1	115.9610	0.000	1	115.5555	0.329	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[6]H)	H(CN[6]C)	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[6]H)	H(CN[6]C)	118.3070	0.000	1	118.3070	0.000	1	118.3590	0.005	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(N[6]C[6,6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[6]H)	H(CN[6]C)	C(N[6]C[6,6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[6]H)	H(CN[6]C)	118.4110	0.000	1	118.4110	0.000	1	118.3590	0.005	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N[6a]-3:C-3:H-1:	N[5]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN[6a]H)	H(CN[6a]C)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN[6a]H)	H(CN[6a]C)	117.4450	0.000	1	117.4450	0.000	1	117.4450	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	N[6a]-3:C-3:H-1:	N[5a]-3:C[6a]-3:C-3:	C-3:	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[6a]H)	H(CN[6a]C)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[6a]H)	H(CN[6a]C)	117.1190	0.000	1	117.1190	0.000	1	117.1190	0.000	1	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	S-3:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(SC[5x3,5x5,20x6]Co)(CCC)(H)	C(CCH)(CHS)(COO)	H(CCS)	C(SC[5x3,5x5,20x6]Co)(CCC)(H)	C(CCH)(CHS)(COO)	H(CCS)	118.3180	0.235	2	118.3180	0.055	2	118.3180	0.055	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	S-3:C-3:H-1:	S-3:C-3:C-3:	C-3:	C(SC[5x3,5x5,20x6]Ru)(CCS)(H)	C(SC[5x3,5x5,20x6]Ru)(CHS)(COO)	H(CCS)	C(SC[5x3,5x5,20x6]Ru)(CCS)(H)	C(SC[5x3,5x5,20x6]Ru)(CHS)(COO)	H(CCS)	121.4867	1.476	3	121.4867	2.179	3	121.4867	2.179	3	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:3:	3:	S-3:C-3:H-1:	S-3:C[6a]-3:C-3:	C-3:	C(SC[5x3,5x5,20x6]Ru)(CC[6a]S)(H)	C(SC[5x3,5x5,20x6]Ru)(C[6a]C[6a]2)(CHS)	H(CCS)	C(SC[5x3,5x5,20x6]Ru)(CC[6a]S)(H)	C(SC[5x3,5x5,20x6]Ru)(C[6a]C[6a]2)(CHS)	H(CCS)	118.4970	0.000	2	118.4970	0.000	2	118.4970	0.000	2	116.1817	3.443	1442	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[5]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)2(CH3)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)2(CH3)	H(CC[5]C)	116.0620	0.000	1	116.0620	0.000	1	115.2335	4.783	4	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[5]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[5]C[5]2)(CCC)(H)	C(CC[6a]H)(CC[5]H)(CH3)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C(CC[6a]H)(CC[5]H)(CH3)	H(CC[5]C)	116.4500	0.256	2	116.4500	0.066	2	115.2335	4.783	4	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[5]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[5]C[5]N[5])(CCC)(H)	C(CC[5]H)2(CH3)	H(CC[5]C)	C(C[5]C[5]N[5])(CCC)(H)	C(CC[5]H)2(CH3)	H(CC[5]C)	111.9720	0.000	1	111.9720	0.000	1	115.2335	4.783	4	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[5]-3:C-3:H-1:	C-3:N-3:C-4:	C-3:	C(C[5]C[5]N[5])(CCN)(H)	C(CC[5]H)(NCuC)(CH3)	H(CC[5]C)	C(C[5]C[5]N[5])(CCN)(H)	C(CC[5]H)(NCuC)(CH3)	H(CC[5]C)	116.8080	0.000	1	116.8080	0.000	1	116.8080	0.000	1	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[5]-3:C-3:H-1:	N-3:C-3:C-4:	C-3:	C(C[5]N[5]O[5])(CCN)(H)	C(NC[6a]Zn)(CC[5]H)(CCCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CCN)(H)	C(NC[6a]Zn)(CC[5]H)(CCCH)	H(CC[5]C)	116.4900	0.040	2	116.4900	0.002	2	116.4900	0.002	2	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[5a]-3:C-3:H-1:	B-3:C-3:Si-4:	C-3:	C(C[5a]C[5a]2)(CSiB)(H)	C(BC[6a]C)(CC[5a]H)(SiC3)	H(CC[5a]C)	C(C[5a]C[5a]2)(CSiB)(H)	C(BC[6a]C)(CC[5a]H)(SiC3)	H(CC[5a]C)	115.5750	0.214	2	115.5750	0.046	2	115.5750	0.046	2	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CC[6]O)(CCHH)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CC[6]O)(CCHH)	H(CC[5a]C)	117.4620	0.000	1	117.4620	0.000	1	114.9282	0.846	14	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CC[6a]H)(CH3)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CC[6a]H)(CH3)	H(CC[5a]C)	114.7333	0.583	13	114.7333	0.340	13	114.9282	0.846	14	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:C-4:	C-3:	C(C[5a]C[5a]N[5a])(CC[5a]C)(H)	C(C[5a]N[5a]O[5a])(CC[5a]H)(CHHO)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[5a]C)(H)	C(C[5a]N[5a]O[5a])(CC[5a]H)(CHHO)	H(CC[5a]C)	116.8350	0.000	1	116.8350	0.000	1	116.8350	0.000	1	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CC[6]O)(CH3)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CC[6]O)(CH3)	H(CC[6]C)	114.3850	0.390	2	114.3850	0.152	2	114.3850	0.152	2	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6]-3:C-3:H-1:	C-3:O-3:C-4:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(OZn2)(CC3)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(OZn2)(CC3)	H(CC[6]C)	115.5787	0.178	3	115.5787	0.032	3	115.5787	0.032	3	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CH3)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CH3)	H(CC[6]C)	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6]-3:C-3:H-1:	N-3:C-3:C-4:	C-3:	C(C[6]C[6]N[6])(CCN)(H)	C(NC[6a]Ni)(CC[6]H)(CH3)	H(CC[6]C)	C(C[6]C[6]N[6])(CCN)(H)	C(NC[6a]Ni)(CC[6]H)(CH3)	H(CC[6]C)	114.7040	0.279	2	114.7040	0.078	2	114.7040	0.078	2	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6]-3:C-3:H-1:	P-3:C-3:P-4:	C-3:	C(C[6]C[6]2)(CPP)(H)	C(PC[6a]Sn)(CC[6]H)(PCCN)	H(CC[6]C)	C(C[6]C[6]2)(CPP)(H)	C(PC[6a]Sn)(CC[6]H)(PCCN)	H(CC[6]C)	113.4730	1.639	2	113.4730	2.687	2	113.4730	2.687	2	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	B[5]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CB[5]C)(H)	C(B[5]O[5]2)(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[5]C)(H)	C(B[5]O[5]2)(CC[6a]H)(CH3)	H(CC[6a]C)	114.3290	0.000	1	114.3290	0.000	1	114.3290	0.000	1	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	B[5]-3:C-3:Si-4:	C-3:	C(C[6a]C[6a]2)(CB[5]Si)(H)	C(B[5]O[5]2)(CC[6a]H)(SiC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[5]Si)(H)	C(B[5]O[5]2)(CC[6a]H)(SiC3)	H(CC[6a]C)	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5a]H)(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5a]H)(CC[6a]H)(CH3)	H(CC[6a]C)	114.3837	0.863	13	114.3837	0.746	13	114.8871	1.069	28	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CC[6a]H)(CH3)	H(CC[6a]C)	116.3240	0.000	1	116.3240	0.000	1	114.8871	1.069	28	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C[4])(CC[6a]H)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C[4])(CC[6a]H)(CCHH)	H(CC[6a]C)	114.9020	0.000	1	114.9020	0.000	1	114.8871	1.069	28	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[3]O)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[3]O)(CCHH)	H(CC[6a]C)	114.7950	0.000	1	114.7950	0.000	1	114.8871	1.069	28	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[5]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[5]H)(CH3)	H(CC[6a]C)	114.7765	0.271	2	114.7765	0.073	2	114.8871	1.069	28	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(CC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(CC3)	H(CC[6a]C)	116.2460	0.497	3	116.2460	0.247	3	114.8871	1.069	28	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(CCHH)	H(CC[6a]C)	114.8558	1.106	6	114.8558	1.223	6	114.8871	1.069	28	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6a]O)(CH3)	H(CC[6a]C)	116.4030	0.000	1	116.4030	0.000	1	114.8871	1.069	28	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:S-4:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(CC[6a]O)(SCOO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(CC[6a]O)(SCOO)	H(CC[6a]C)	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-3:Si-4:	C-3:	C(C[6a]C[6a,6a]C[6a])(CSiC)(H)	C(CC[6a]H)(CN[5]N)(SiC3)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSiC)(H)	C(CC[6a]H)(CN[5]N)(SiC3)	H(CC[6a]C)	119.1880	0.000	1	119.1880	0.000	1	119.1880	0.000	1	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(NC[6a]C)(CHHN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(NC[6a]C)(CHHN)	H(CC[6a]C)	115.9850	0.000	1	115.9850	0.000	1	115.1950	1.116	3	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(NLiSi)(CC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(NLiSi)(CC3)	H(CC[6a]C)	114.8000	1.138	2	114.8000	1.296	2	115.1950	1.116	3	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C-3:P-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCP)(H)	C(CC[6a]H)(PC[6]P)(CC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCP)(H)	C(CC[6a]H)(PC[6]P)(CC3)	H(CC[6a]C)	113.1503	0.988	3	113.1503	0.977	3	113.1503	0.977	3	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(CC[6a]H)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(CC[6a]H)(CCHH)	H(CC[6a]C)	115.2600	0.000	1	115.2600	0.000	1	116.5610	3.385	2	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]N[5,6]C[5])(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]N[5,6]C[5])(CC[6a]H)(CH3)	H(CC[6a]C)	117.8620	0.000	1	117.8620	0.000	1	116.5610	3.385	2	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5a]C)(H)	C(C[5a]C[5a]O[5a])(CC[6a]H)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5a]C)(H)	C(C[5a]C[5a]O[5a])(CC[6a]H)(CCHH)	H(CC[6a]C)	118.2310	0.000	1	118.2310	0.000	1	115.6363	2.368	6	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(CF3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(CF3)	H(CC[6a]C)	115.0890	0.000	1	115.0890	0.000	1	115.6363	2.368	6	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]2)(CC[6a]H)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]2)(CC[6a]H)(CCHH)	H(CC[6a]C)	115.3800	0.000	1	115.3800	0.000	1	115.6363	2.368	6	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCHH)	H(CC[6a]C)	115.8180	0.184	2	115.8180	0.034	2	115.6363	2.368	6	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCCH)	H(CC[6a]C)	113.4820	0.000	1	113.4820	0.000	1	115.6363	2.368	6	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(CHHO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(CHHO)	H(CC[6a]C)	116.0730	0.000	1	116.0730	0.000	1	116.0730	0.000	1	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	H(CC[6a]C)	116.4830	0.000	1	116.4830	0.000	1	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	H(CC[6a]C)	118.4090	0.000	1	118.4090	0.000	1	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(CCHH)	H(CC[6a]C)	116.3070	0.000	1	116.3070	0.000	1	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CC3)	H(CC[6a]C)	115.3420	0.000	1	115.3420	0.000	1	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	H(CC[6a]C)	116.9290	0.718	2	116.9290	0.516	2	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCFF)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCFF)	H(CC[6a]C)	115.2225	0.340	2	115.2225	0.116	2	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	H(CC[6a]C)	116.1082	1.672	8	116.1082	2.795	8	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CClHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CClHH)	H(CC[6a]C)	115.3000	0.000	1	115.3000	0.000	1	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CF3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CF3)	H(CC[6a]C)	115.4623	0.404	3	115.4623	0.164	3	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	H(CC[6a]C)	115.8081	0.510	11	115.8081	0.260	11	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	H(CC[6a]C)	115.9387	0.972	3	115.9387	0.945	3	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	H(CC[6a]C)	114.8520	0.525	2	114.8520	0.275	2	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHP)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHP)	H(CC[6a]C)	115.0720	0.000	1	115.0720	0.000	1	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHS)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHS)	H(CC[6a]C)	116.5980	0.000	1	116.5980	0.000	1	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CRu2C)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CRu2C)	H(CC[6a]C)	116.8230	0.000	1	116.8230	0.000	1	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CCHH)	H(CC[6a]C)	117.6835	0.159	2	117.6835	0.025	2	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CH3)	H(CC[6a]C)	115.4310	0.000	1	115.4310	0.000	1	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	H(CC[6a]C)	116.6990	0.000	1	116.6990	0.000	1	116.0185	1.135	43	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	H(CC[6a]C)	117.1230	1.129	6	117.1230	1.275	6	117.1230	1.275	6	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CCHO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CCHO)	H(CC[6a]C)	116.6845	0.301	2	116.6845	0.090	2	116.6845	0.090	2	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	N[6]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CN[6]C)(H)	C(N[6]C[6]2)(CC[6a]H)(CF3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[6]C)(H)	C(N[6]C[6]2)(CC[6a]H)(CF3)	H(CC[6a]C)	114.8130	0.000	1	114.8130	0.000	1	114.8130	0.000	1	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	P[4]-3:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CP[4]C)(H)	C(P[4]C[4,6a]C[4])(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CP[4]C)(H)	C(P[4]C[4,6a]C[4])(CC[6a]H)(CH3)	H(CC[6a]C)	114.0780	0.000	1	114.0780	0.000	1	114.0780	0.000	1	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	N[5]-3:C-3:H-1:	C[6a]-3:C-3:Si-4:	C-3:	C(N[5]C[5]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(CN[5]H)(SiC3)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(CN[5]H)(SiC3)	H(CN[5]C)	116.2850	0.000	1	116.2850	0.000	1	116.2850	0.000	1	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:3:4:	3:	N[6]-3:C-3:H-1:	B-3:C-3:C-4:	C-3:	C(N[6]C[6]2)(CBC)(H)	C(BC[6a]2)(CN[6]H)(CH3)	H(CN[6]C)	C(N[6]C[6]2)(CBC)(H)	C(BC[6a]2)(CN[6]H)(CH3)	H(CN[6]C)	112.3795	0.095	2	112.3795	0.009	2	112.3795	0.009	2	115.4934	1.875	137	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	B[5]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(B[5]C[5,6a]2)(CCH)(H)	C(CB[5]H)(CC3)(H)	H(CB[5]C)	C(B[5]C[5,6a]2)(CCH)(H)	C(CB[5]H)(CC3)(H)	H(CB[5]C)	119.3470	0.000	1	119.3470	0.000	1	119.3470	0.000	1	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	B[6a]-3:C-3:H-1:	C-3:Si-4:H-1:	C-3:	C(B[6a]N[6a]2)(CSiH)(H)	C(CB[6a]H)(SiCl3)(H)	H(CB[6a]C)	C(B[6a]N[6a]2)(CSiH)(H)	C(CB[6a]H)(SiCl3)(H)	H(CB[6a]C)	116.5877	0.429	3	116.5877	0.184	3	116.5877	0.184	3	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[4]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[4]B[4]C[4])(CCH)(H)	C(CC[4]H)(CC3)(H)	H(CC[4]C)	C(C[4]B[4]C[4])(CCH)(H)	C(CC[4]H)(CC3)(H)	H(CC[4]C)	118.1917	0.401	3	118.1917	0.161	3	117.9778	0.290	4	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[4]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[4]B[4]C[4])(CCH)(H)	C(CC[4]H)(CCHH)(H)	H(CC[4]C)	C(C[4]B[4]C[4])(CCH)(H)	C(CC[4]H)(CCHH)(H)	H(CC[4]C)	117.3360	0.000	1	117.3360	0.000	1	117.9778	0.290	4	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CC3)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CC3)(H)	H(CC[5]C)	114.2460	0.000	1	114.2460	0.000	1	117.8300	10.286	8	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	118.5960	7.205	2	118.5960	51.918	2	117.8300	10.286	8	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	117.1310	0.000	1	117.1310	0.000	1	117.8300	10.286	8	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CHHN)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)(CHHN)(H)	H(CC[5]C)	118.1090	1.711	2	118.1090	2.928	2	117.8300	10.286	8	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	118.9265	0.293	2	118.9265	0.086	2	117.8300	10.286	8	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[5]C[5,5]O[5])(CCO)(H)	C(CC[5]H)(CH3)(O)	H(CC[5]C)	C(C[5]C[5,5]O[5])(CCO)(H)	C(CC[5]H)(CH3)(O)	H(CC[5]C)	118.7840	0.000	1	118.7840	0.000	1	118.6274	0.272	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[5]C[5,6a]N[5])(CCO)(H)	C(CC[5]H)(CH3)(O)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CCO)(H)	C(CC[5]H)(CH3)(O)	H(CC[5]C)	118.2265	0.107	2	118.2265	0.011	2	118.6274	0.272	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[5]C[5]N[5])(CCO)(H)	C(CC[5]H)(CCl3)(O)	H(CC[5]C)	C(C[5]C[5]N[5])(CCO)(H)	C(CC[5]H)(CCl3)(O)	H(CC[5]C)	119.1500	0.000	1	119.1500	0.000	1	118.6274	0.272	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[5]C[5]N[5])(CCO)(H)	C(CC[5]H)(CH3)(O)	H(CC[5]C)	C(C[5]C[5]N[5])(CCO)(H)	C(CC[5]H)(CH3)(O)	H(CC[5]C)	118.0350	0.000	1	118.0350	0.000	1	118.6274	0.272	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[5]C[5]O[5])(CCO)(H)	C(CC[5]H)(CH3)(O)	H(CC[5]C)	C(C[5]C[5]O[5])(CCO)(H)	C(CC[5]H)(CH3)(O)	H(CC[5]C)	118.9270	0.000	1	118.9270	0.000	1	118.6274	0.272	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[5]N[5]O[5])(CCO)(H)	C(CC[5]H)(CC3)(O)	H(CC[5]C)	C(C[5]N[5]O[5])(CCO)(H)	C(CC[5]H)(CC3)(O)	H(CC[5]C)	118.7160	0.000	1	118.7160	0.000	1	118.6274	0.272	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[5]N[5]S[5])(CCO)(H)	C(CC[5]H)(CH3)(O)	H(CC[5]C)	C(C[5]N[5]S[5])(CCO)(H)	C(CC[5]H)(CH3)(O)	H(CC[5]C)	119.5140	0.000	1	119.5140	0.000	1	118.6274	0.272	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[5]S[5]2)(CCO)(H)	C(CC[5]H)(CFeCH)(O)	H(CC[5]C)	C(C[5]S[5]2)(CCO)(H)	C(CC[5]H)(CFeCH)(O)	H(CC[5]C)	118.0680	0.000	1	118.0680	0.000	1	118.6274	0.272	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	C-3:C-4:S-1:	C-3:	C(C[5]S[5]2)(CCS)(H)	C(CC[5]H)(CH3)(S)	H(CC[5]C)	C(C[5]S[5]2)(CCS)(H)	C(CC[5]H)(CH3)(S)	H(CC[5]C)	116.9600	0.000	1	116.9600	0.000	1	116.9600	0.000	1	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5a]C[5a,6a]2)(CCH)(H)	C(CC[5a]H)(CHHN)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]2)(CCH)(H)	C(CC[5a]H)(CHHN)(H)	H(CC[5a]C)	117.4130	0.000	1	117.4130	0.000	1	117.6507	0.570	13	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CHHN)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CHHN)(H)	H(CC[5a]C)	118.7010	0.000	1	118.7010	0.000	1	117.6507	0.570	13	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CCHH)(H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CCHH)(H)	H(CC[5a]C)	116.9575	0.484	2	116.9575	0.235	2	117.6507	0.570	13	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CCHO)(H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CCHO)(H)	H(CC[5a]C)	117.2140	0.000	1	117.2140	0.000	1	117.6507	0.570	13	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CCHH)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CCHH)(H)	H(CC[5a]C)	118.4730	0.416	2	118.4730	0.173	2	117.6507	0.570	13	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CHHN)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)(CHHN)(H)	H(CC[5a]C)	117.9565	0.260	2	117.9565	0.067	2	117.6507	0.570	13	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CHHS)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CHHS)(H)	H(CC[5a]C)	116.8180	0.000	1	116.8180	0.000	1	117.6507	0.570	13	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CH3)(H)	H(CC[5a]C)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CC[5a]H)(CH3)(H)	H(CC[5a]C)	116.9090	0.000	1	116.9090	0.000	1	117.6507	0.570	13	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5a]N[5a]2)(CCH)(H)	C(CC[5a]H)(CH3)(H)	H(CC[5a]C)	C(C[5a]N[5a]2)(CCH)(H)	C(CC[5a]H)(CH3)(H)	H(CC[5a]C)	117.8150	1.103	2	117.8150	1.217	2	117.6507	0.570	13	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[5,6]C[6])(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	118.6570	0.000	1	118.6570	0.000	1	116.9054	0.981	14	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6,6]C[6])(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6])(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	117.0265	0.779	4	117.0265	0.607	4	116.9054	0.981	14	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	115.3155	0.695	2	115.3155	0.483	2	116.9054	0.981	14	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCHO)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCHO)(H)	H(CC[6]C)	116.9080	0.000	1	116.9080	0.000	1	116.9054	0.981	14	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	116.1020	0.000	1	116.1020	0.000	1	116.9054	0.981	14	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CHOP)(H)	H(CC[6]C)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CHOP)(H)	H(CC[6]C)	116.6060	0.000	1	116.6060	0.000	1	116.9054	0.981	14	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6]H)(CCCO)(H)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6]H)(CCCO)(H)	H(CC[6]C)	117.5305	0.655	2	117.5305	0.430	2	116.9054	0.981	14	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	117.3025	0.098	2	117.3025	0.010	2	116.9054	0.981	14	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[6]C[5,6]C[6])(CCO)(H)	C(CC[6]H)(CCCH)(O)	H(CC[6]C)	C(C[6]C[5,6]C[6])(CCO)(H)	C(CC[6]H)(CCCH)(O)	H(CC[6]C)	114.3722	0.444	5	114.3722	0.197	5	116.2621	3.730	11	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[6]C[6]2)(CCO)(H)	C(CC[6]H)(CC3)(O)	H(CC[6]C)	C(C[6]C[6]2)(CCO)(H)	C(CC[6]H)(CC3)(O)	H(CC[6]C)	117.0570	0.000	1	117.0570	0.000	1	116.2621	3.730	11	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CCHH)(O)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CCHH)(O)	H(CC[6]C)	118.1900	0.000	1	118.1900	0.000	1	116.2621	3.730	11	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CH3)(O)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CH3)(O)	H(CC[6]C)	118.3330	0.781	2	118.3330	0.609	2	116.2621	3.730	11	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[6]C[6]O[6])(CCO)(H)	C(CC[6]H)(CH3)(O)	H(CC[6]C)	C(C[6]C[6]O[6])(CCO)(H)	C(CC[6]H)(CH3)(O)	H(CC[6]C)	116.6130	0.000	1	116.6130	0.000	1	116.2621	3.730	11	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-1:	C-3:	C(C[6]N[6]2)(CCO)(H)	C(CC[6]H)(CH3)(O)	H(CC[6]C)	C(C[6]N[6]2)(CCO)(H)	C(CC[6]H)(CH3)(O)	H(CC[6]C)	118.4960	0.000	1	118.4960	0.000	1	116.2621	3.730	11	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:N-4:H-1:	C-3:	C(C[6]C[6]N[6])(CHN)(H)	C(CC[6]H)(NCuCC)(H)	H(CC[6]C)	C(C[6]C[6]N[6])(CHN)(H)	C(CC[6]H)(NCuCC)(H)	H(CC[6]C)	122.0770	0.000	1	122.0770	0.000	1	122.0770	0.000	1	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	C-3:Si-4:H-1:	C-3:	C(C[6]C[6]2)(CSiH)(H)	C(CC[6]H)(SiC3)(H)	H(CC[6]C)	C(C[6]C[6]2)(CSiH)(H)	C(CC[6]H)(SiC3)(H)	H(CC[6]C)	116.1240	0.023	2	116.1240	0.001	2	116.1240	0.001	2	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:Cl-1:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]H)(CF3)(Cl)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]H)(CF3)(Cl)	H(CC[6a]C)	115.8395	0.368	2	115.8395	0.136	2	115.2018	0.618	5	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:Cl-1:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]H)(CHHN)(Cl)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]H)(CHHN)(Cl)	H(CC[6a]C)	114.7767	0.700	3	114.7767	0.489	3	115.2018	0.618	5	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:F-1:	C-3:	C(C[6a]C[6a]2)(CCF)(H)	C(CC[6a]H)(CHHS)(F)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCF)(H)	C(CC[6a]H)(CHHS)(F)	H(CC[6a]C)	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CH3)(H)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CH3)(H)	H(CC[6a]C)	115.3170	0.293	2	115.3170	0.086	2	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CHHN)(H)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CHHN)(H)	H(CC[6a]C)	118.9770	0.000	1	118.9770	0.000	1	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CCHH)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CCHH)(H)	H(CC[6a]C)	116.5603	0.947	3	116.5603	0.896	3	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CHHS)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CHHS)(H)	H(CC[6a]C)	117.0520	0.000	1	117.0520	0.000	1	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CSiHO)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CSiHO)(H)	H(CC[6a]C)	117.2920	0.000	1	117.2920	0.000	1	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC3)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC3)(H)	H(CC[6a]C)	116.3570	0.496	2	116.3570	0.246	2	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCCH)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCCH)(H)	H(CC[6a]C)	116.5667	0.741	32	116.5667	0.549	32	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCCN)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCCN)(H)	H(CC[6a]C)	116.3555	1.241	2	116.3555	1.540	2	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCCO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCCO)(H)	H(CC[6a]C)	117.0232	0.788	21	117.0232	0.620	21	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCFF)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCFF)(H)	H(CC[6a]C)	115.6040	3.438	4	115.6040	11.818	4	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCFH)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCFH)(H)	H(CC[6a]C)	116.1504	0.316	5	116.1504	0.100	5	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHH)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHH)(H)	H(CC[6a]C)	117.3262	1.673	40	117.3262	2.800	40	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHN)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHN)(H)	H(CC[6a]C)	116.4973	0.502	24	116.4973	0.252	24	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHO)(H)	H(CC[6a]C)	117.1683	1.277	14	117.1683	1.630	14	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHP)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHP)(H)	H(CC[6a]C)	117.1778	0.919	4	117.1778	0.844	4	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHS)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHS)(H)	H(CC[6a]C)	116.5913	0.373	4	116.5913	0.139	4	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCdOO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCdOO)(H)	H(CC[6a]C)	117.1610	0.000	1	117.1610	0.000	1	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CF3)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CF3)(H)	H(CC[6a]C)	117.0588	0.799	8	117.0588	0.638	8	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CH3)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CH3)(H)	H(CC[6a]C)	116.8783	1.644	8	116.8783	2.702	8	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHHN)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHHN)(H)	H(CC[6a]C)	116.3979	0.683	25	116.3979	0.466	25	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHHO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHHO)(H)	H(CC[6a]C)	116.4743	0.441	7	116.4743	0.195	7	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHHS)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHHS)(H)	H(CC[6a]C)	116.2950	0.000	1	116.2950	0.000	1	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHOP)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHOP)(H)	H(CC[6a]C)	117.1180	0.000	1	117.1180	0.000	1	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHSS)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CHSS)(H)	H(CC[6a]C)	117.6380	0.000	1	117.6380	0.000	1	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CNiCH)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CNiCH)(H)	H(CC[6a]C)	116.0750	0.000	1	116.0750	0.000	1	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CNiOO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CNiOO)(H)	H(CC[6a]C)	116.7180	0.000	1	116.7180	0.000	1	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(COOU)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(COOU)(H)	H(CC[6a]C)	115.9297	0.027	3	115.9297	0.001	3	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CPdCO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CPdCO)(H)	H(CC[6a]C)	116.8340	0.000	1	116.8340	0.000	1	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CSeHH)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CSeHH)(H)	H(CC[6a]C)	116.6820	0.000	1	116.6820	0.000	1	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6a]C[6a]O[6a])(CCH)(H)	C(CC[6a]H)(CH3)(H)	H(CC[6a]C)	C(C[6a]C[6a]O[6a])(CCH)(H)	C(CC[6a]H)(CH3)(H)	H(CC[6a]C)	118.0065	0.507	2	118.0065	0.257	2	116.7844	1.333	221	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:I-1:	C-3:	C(C[6a]C[6a]2)(CCI)(H)	C(CC[6a]H)(CRuCC)(I)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCI)(H)	C(CC[6a]H)(CRuCC)(I)	H(CC[6a]C)	115.0110	0.000	1	115.0110	0.000	1	115.0110	0.000	1	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-4:H-1:	C-3:	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NH3)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(H)	C(CC[6a]H)(NH3)(H)	H(CC[6a]C)	121.0045	0.862	2	121.0045	0.743	2	121.0045	0.743	2	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:S-4:H-1:	C-3:	C(C[6a]C[6a]2)(CHS)(H)	C(CC[6a]H)(SCOO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(H)	C(CC[6a]H)(SCOO)(H)	H(CC[6a]C)	116.6681	1.066	7	116.6681	1.137	7	116.6681	1.137	7	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:Si-4:H-1:	C-3:	C(C[6a]C[6a]2)(CSiH)(H)	C(CC[6a]H)(SiC3)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiH)(H)	C(CC[6a]H)(SiC3)(H)	H(CC[6a]C)	116.0190	0.000	1	116.0190	0.000	1	115.9352	0.281	10	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:Si-4:H-1:	C-3:	C(C[6a]C[6a]2)(CSiH)(H)	C(CC[6a]H)(SiCCO)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiH)(H)	C(CC[6a]H)(SiCCO)(H)	H(CC[6a]C)	116.0860	0.000	1	116.0860	0.000	1	115.9352	0.281	10	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	C-3:Si-4:H-1:	C-3:	C(C[6a]C[6a]2)(CSiH)(H)	C(CC[6a]H)(SiO3)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiH)(H)	C(CC[6a]H)(SiO3)(H)	H(CC[6a]C)	115.9059	0.597	8	115.9059	0.356	8	115.9352	0.281	10	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	N[5]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(N[5]C[3x5]C[5])(CCH)(H)	C(CN[5]H)(CCHH)(H)	H(CN[5]C)	C(N[5]C[3x5]C[5])(CCH)(H)	C(CN[5]H)(CCHH)(H)	H(CN[5]C)	124.8340	0.000	1	124.8340	0.000	1	119.2680	6.364	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	N[5]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(N[5]C[5,6a]C[5])(CCH)(H)	C(CN[5]H)(CHHO)(H)	H(CN[5]C)	C(N[5]C[5,6a]C[5])(CCH)(H)	C(CN[5]H)(CHHO)(H)	H(CN[5]C)	122.2760	0.000	1	122.2760	0.000	1	119.2680	6.364	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	N[5]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(N[5]C[5]2)(CCH)(H)	C(CN[5]H)(CCCH)(H)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	C(CN[5]H)(CCCH)(H)	H(CN[5]C)	118.4780	0.000	1	118.4780	0.000	1	119.2680	6.364	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	N[5]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(N[5]C[5]2)(CCH)(H)	C(CN[5]H)(CCHH)(H)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	C(CN[5]H)(CCHH)(H)	H(CN[5]C)	117.9664	0.202	5	117.9664	0.041	5	119.2680	6.364	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	N[5]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(N[5]C[5]2)(CCH)(H)	C(CN[5]H)(CHHN)(H)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	C(CN[5]H)(CHHN)(H)	H(CN[5]C)	117.9920	0.000	1	117.9920	0.000	1	119.2680	6.364	9	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	N[5a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(N[5a]C[5a,6a]C[5a])(CCH)(H)	C(CN[5a]H)(CH3)(H)	H(CN[5a]C)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)	C(CN[5a]H)(CH3)(H)	H(CN[5a]C)	118.4650	0.000	1	118.4650	0.000	1	118.0145	0.406	2	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	N[5a]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(N[5a]C[5a]N[5a])(CCH)(H)	C(CN[5a]H)(CHHS)(H)	H(CN[5a]C)	C(N[5a]C[5a]N[5a])(CCH)(H)	C(CN[5a]H)(CHHS)(H)	H(CN[5a]C)	117.5640	0.000	1	117.5640	0.000	1	118.0145	0.406	2	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:1:	3:	N[6]-3:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(N[6]C[6]N[6])(CCH)(H)	C(CN[6]H)(CCHH)(H)	H(CN[6]C)	C(N[6]C[6]N[6])(CCH)(H)	C(CN[6]H)(CCHH)(H)	H(CN[6]C)	117.4200	0.000	1	117.4200	0.000	1	117.4200	0.000	1	116.9554	2.141	326	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5]-3:C-3:H-1:	C-3:C-4:N-2:	C-3:	C(C[5]C[5]N[5])(CCN)(H)	C(CC[5]H)(CH3)(NCu)	H(CC[5]C)	C(C[5]C[5]N[5])(CCN)(H)	C(CC[5]H)(CH3)(NCu)	H(CC[5]C)	117.0700	0.523	4	117.0700	0.273	4	117.0700	0.273	4	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[5]C[5]N[5])(CCO)(H)	C(CC[5]H)(CF3)(ONi)	H(CC[5]C)	C(C[5]C[5]N[5])(CCO)(H)	C(CC[5]H)(CF3)(ONi)	H(CC[5]C)	120.7085	2.164	2	120.7085	4.685	2	119.7489	5.662	19	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[5]N[5]O[5])(CCO)(H)	C(CC[5]H)(CF3)(OAl)	H(CC[5]C)	C(C[5]N[5]O[5])(CCO)(H)	C(CC[5]H)(CF3)(OAl)	H(CC[5]C)	120.5512	0.313	5	120.5512	0.098	5	119.7489	5.662	19	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[5]N[5]O[5])(CCO)(H)	C(CC[5]H)(CF3)(OCo)	H(CC[5]C)	C(C[5]N[5]O[5])(CCO)(H)	C(CC[5]H)(CF3)(OCo)	H(CC[5]C)	118.6660	0.088	2	118.6660	0.008	2	119.7489	5.662	19	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[5]N[5]S[5])(CCO)(H)	C(CC[5]H)(CF3)(OCu)	H(CC[5]C)	C(C[5]N[5]S[5])(CCO)(H)	C(CC[5]H)(CF3)(OCu)	H(CC[5]C)	119.3220	0.366	2	119.3220	0.134	2	119.7489	5.662	19	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[5]N[5]S[5])(CCO)(H)	C(CC[5]H)(CF3)(OFe)	H(CC[5]C)	C(C[5]N[5]S[5])(CCO)(H)	C(CC[5]H)(CF3)(OFe)	H(CC[5]C)	118.2700	0.281	4	118.2700	0.079	4	119.7489	5.662	19	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[5]N[5]S[5])(CCO)(H)	C(CC[5]H)(CF3)(OZn)	H(CC[5]C)	C(C[5]N[5]S[5])(CCO)(H)	C(CC[5]H)(CF3)(OZn)	H(CC[5]C)	121.2517	5.954	3	121.2517	35.449	3	119.7489	5.662	19	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[5]S[5]2)(CCO)(H)	C(CC[5]H)(CFeHN)(OFe)	H(CC[5]C)	C(C[5]S[5]2)(CCO)(H)	C(CC[5]H)(CFeHN)(OFe)	H(CC[5]C)	118.2450	0.000	1	118.2450	0.000	1	119.7489	5.662	19	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:S-2:	C-3:	C(C[5a]C[5a]N[5a])(CCS)(H)	C(CC[5a]H)(CCHH)(SC)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCS)(H)	C(CC[5a]H)(CCHH)(SC)	H(CC[5a]C)	119.5665	0.409	2	119.5665	0.168	2	117.5614	5.357	9	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:S-2:	C-3:	C(C[5a]C[5a]N[5a])(CCS)(H)	C(CC[5a]H)(CH3)(SC)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCS)(H)	C(CC[5a]H)(CH3)(SC)	H(CC[5a]C)	116.9886	2.322	7	116.9886	5.392	7	117.5614	5.357	9	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:Se-2:	C-3:	C(C[5a]C[5a]N[5a])(CSeC)(H)	C(CC[5a]H)(CH3)(SeC)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CSeC)(H)	C(CC[5a]H)(CH3)(SeC)	H(CC[5a]C)	116.3870	0.000	1	116.3870	0.000	1	116.0545	0.221	2	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:Se-2:	C-3:	C(C[5a]C[5a]O[5a])(CSeC)(H)	C(CC[5a]H)(CH3)(SeC)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CSeC)(H)	C(CC[5a]H)(CH3)(SeC)	H(CC[5a]C)	115.7220	0.000	1	115.7220	0.000	1	116.0545	0.221	2	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CC3)(OAl)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CC3)(OAl)	H(CC[6]C)	116.8294	0.477	5	116.8294	0.227	5	116.8412	0.460	25	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CC3)(OCr)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CC3)(OCr)	H(CC[6]C)	116.7200	0.000	1	116.7200	0.000	1	116.8412	0.460	25	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CC3)(OZn)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CC3)(OZn)	H(CC[6]C)	115.4940	0.000	1	115.4940	0.000	1	116.8412	0.460	25	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CCFF)(OPd)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CCFF)(OPd)	H(CC[6]C)	116.5695	0.292	2	116.5695	0.085	2	116.8412	0.460	25	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CF3)(OAl)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CF3)(OAl)	H(CC[6]C)	117.6107	0.086	4	117.6107	0.007	4	116.8412	0.460	25	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CF3)(OCo)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CF3)(OCo)	H(CC[6]C)	117.0162	1.081	4	117.0162	1.169	4	116.8412	0.460	25	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CF3)(OCr)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CF3)(OCr)	H(CC[6]C)	117.2820	0.171	2	117.2820	0.029	2	116.8412	0.460	25	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CF3)(OPd)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CF3)(OPd)	H(CC[6]C)	116.5080	0.174	2	116.5080	0.030	2	116.8412	0.460	25	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CF3)(OPt)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CF3)(OPt)	H(CC[6]C)	116.6700	0.215	2	116.6700	0.046	2	116.8412	0.460	25	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CH3)(OAl)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CH3)(OAl)	H(CC[6]C)	116.1410	0.000	1	116.1410	0.000	1	116.8412	0.460	25	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CH3)(OPd)	H(CC[6]C)	C(C[6]C[6]N[6])(CCO)(H)	C(CC[6]H)(CH3)(OPd)	H(CC[6]C)	115.9610	0.000	1	115.9610	0.000	1	116.8412	0.460	25	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CBrHH)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CBrHH)(CN)	H(CC[6a]C)	116.6610	0.000	1	116.6610	0.000	1	114.6962	0.873	13	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(CC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(CC)	H(CC[6a]C)	115.1930	0.000	1	115.1930	0.000	1	114.6962	0.873	13	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(CN)	H(CC[6a]C)	114.3397	0.281	3	114.3397	0.079	3	114.6962	0.873	13	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHO)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHO)(CN)	H(CC[6a]C)	114.6253	1.032	6	114.6253	1.064	6	114.6962	0.873	13	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHS)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHS)(CN)	H(CC[6a]C)	114.2125	0.093	2	114.2125	0.009	2	114.6962	0.873	13	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCHH)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCHH)(OC)	H(CC[6a]C)	115.5070	0.000	1	115.5070	0.000	1	115.6510	0.041	2	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CF3)(OS)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CF3)(OS)	H(CC[6a]C)	115.7950	0.000	1	115.7950	0.000	1	115.6510	0.041	2	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:S-2:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(CCHH)(SC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(CCHH)(SC)	H(CC[6a]C)	115.4380	0.000	1	115.4380	0.000	1	115.4380	0.000	1	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	C-3:Si-4:C-2:	C-3:	C(C[6a]C[6a]2)(CSiC)(H)	C(CC[6a]H)(SiC3)(CC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiC)(H)	C(CC[6a]H)(SiC3)(CC)	H(CC[6a]C)	115.5720	0.000	1	115.5720	0.000	1	115.5720	0.000	1	117.2114	5.199	76	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	B[5]-3:C-4:C-3:	C-3:	C(CB[5]C)(CCH)(H)	C(B[5]O[5]2)(CH3)(CCH)	H(CCC)	C(CB[5]C)(CCH)(H)	C(B[5]O[5]2)(CH3)(CCH)	H(CCC)	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC[3]H)(CCHO)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CC[3]H)(CCHO)(CCH)	H(CCC)	117.5480	0.000	1	117.5480	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC[5]H)(CCCH)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CC[5]H)(CCCH)(CCH)	H(CCC)	114.5430	0.209	9	114.5430	0.044	9	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC[5a]H)(CCHH)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CC[5a]H)(CCHH)(CCH)	H(CCC)	115.8950	0.000	1	115.8950	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC[6]H)(CCCH)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6]H)(CCCH)(CCH)	H(CCC)	116.3130	0.000	1	116.3130	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC[6]H)(CH3)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6]H)(CH3)(CCH)	H(CCC)	116.6384	0.307	5	116.6384	0.094	5	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCHH)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCHH)(CCH)	H(CCC)	116.7240	0.000	1	116.7240	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CCN)(H)	C(CZrC)(CH3)(CCH)	H(CCC)	C(CCC)(CCN)(H)	C(CZrC)(CH3)(CCH)	H(CCC)	116.1880	0.000	1	116.1880	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CCO)(H)	C(CC[5x3,5x5,20x6]H)(CH3)(CCH)	H(CCC)	C(CCC)(CCO)(H)	C(CC[5x3,5x5,20x6]H)(CH3)(CCH)	H(CCC)	116.9910	0.000	1	116.9910	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CCO)(H)	C(CC[6a]C)(CCHN)(CCH)	H(CCC)	C(CCC)(CCO)(H)	C(CC[6a]C)(CCHN)(CCH)	H(CCC)	113.0620	0.068	3	113.0620	0.005	3	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CCO)(H)	C(CN[5]O)(CF3)(CCH)	H(CCC)	C(CCC)(CCO)(H)	C(CN[5]O)(CF3)(CCH)	H(CCC)	115.7370	0.757	2	115.7370	0.572	2	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CHH)(H)	C(CC[6a]C)(CH3)(CCH)	H(CCC)	C(CCC)(CHH)(H)	C(CC[6a]C)(CH3)(CCH)	H(CCC)	117.0820	0.000	1	117.0820	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(CHH)(H)	C(CN[5]O)(CH3)(CCH)	H(CCC)	C(CCC)(CHH)(H)	C(CN[5]O)(CH3)(CCH)	H(CCC)	116.9160	0.000	1	116.9160	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(COO)(H)	C(CC[6a]O)(CH3)(CCH)	H(CCC)	C(CCC)(COO)(H)	C(CC[6a]O)(CH3)(CCH)	H(CCC)	116.9960	0.000	1	116.9960	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)2(H)	C(CC[6a]H)(CH3)(CCH)	H(CCC)	C(CCC)2(H)	C(CC[6a]H)(CH3)(CCH)	H(CCC)	115.3680	0.000	1	115.3680	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)2(H)	C(CN[5]C)(CH3)(CCH)	H(CCC)	C(CCC)2(H)	C(CN[5]C)(CH3)(CCH)	H(CCC)	115.3500	0.000	1	115.3500	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CC[6]H)(CCC)(H)	C(CC[6]H)(CH3)(CCH)	H(CCC)	C(CC[6]H)(CCC)(H)	C(CC[6]H)(CH3)(CCH)	H(CCC)	117.7595	0.306	2	117.7595	0.094	2	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CC[6]H)(CCC)(H)	C(CC[6a]H)(CH3)(CCH)	H(CCC)	C(CC[6]H)(CCC)(H)	C(CC[6a]H)(CH3)(CCH)	H(CCC)	116.4640	0.141	2	116.4640	0.020	2	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CC[6a]2)(CCC)(H)	C(CC[6a]C)(CHHN)(CCH)	H(CCC)	C(CC[6a]2)(CCC)(H)	C(CC[6a]C)(CHHN)(CCH)	H(CCC)	113.9840	0.000	1	113.9840	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CC[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(CCH)	H(CCC)	C(CC[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(CCH)	H(CCC)	113.9520	0.000	1	113.9520	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CC[6]H)(CSiCH)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CC[6]H)(CSiCH)(CCH)	H(CCC)	116.6450	0.000	1	116.6450	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(CH3)(CCH)	H(CCC)	113.8035	0.032	2	113.8035	0.001	2	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CC[6a]H)(CCCN)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CC[6a]H)(CCCN)(CCH)	H(CCC)	112.9813	0.451	3	112.9813	0.203	3	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CC[6a]H)(CCCO)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CC[6a]H)(CCCO)(CCH)	H(CCC)	115.3475	2.403	2	115.3475	5.777	2	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CC[6a]H)(CHHO)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CC[6a]H)(CHHO)(CCH)	H(CCC)	114.7270	0.000	1	114.7270	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CC[6a]H)(CCC)(H)	C(CC[6a]H)(CCHH)(CCH)	H(CCC)	C(CC[6a]H)(CCC)(H)	C(CC[6a]H)(CCHH)(CCH)	H(CCC)	116.7440	0.000	1	116.7440	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CClO)(CCC)(H)	C(CC[5a]H)(CH3)(CCH)	H(CCC)	C(CClO)(CCC)(H)	C(CC[5a]H)(CH3)(CCH)	H(CCC)	113.8380	0.000	1	113.8380	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CFeN)(CCC)(H)	C(CFeO)(CH3)(CCH)	H(CCC)	C(CFeN)(CCC)(H)	C(CFeO)(CH3)(CCH)	H(CCC)	122.4690	0.000	1	122.4690	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(COsO)(CCC)(H)	C(CSiC)(CH3)(CCH)	H(CCC)	C(COsO)(CCC)(H)	C(CSiC)(CH3)(CCH)	H(CCC)	117.9950	0.000	1	117.9950	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CReH)(CCC)(H)	C(CReC)(CC3)(CCH)	H(CCC)	C(CReH)(CCC)(H)	C(CReC)(CC3)(CCH)	H(CCC)	123.0780	0.000	1	123.0780	0.000	1	115.7047	4.371	50	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[4]-3:C-4:C-3:	C-3:	C(CC[4]C)(CCH)(H)	C(C[4]C[4,5]C[4,6])(CHHO)(CCH)	H(CCC)	C(CC[4]C)(CCH)(H)	C(C[4]C[4,5]C[4,6])(CHHO)(CCH)	H(CCC)	116.3750	0.000	1	116.3750	0.000	1	116.6330	0.133	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[4]-3:C-4:C-3:	C-3:	C(CC[4]C)(CCH)(H)	C(C[4]C[4,5]C[4])(CHHO)(CCH)	H(CCC)	C(CC[4]C)(CCH)(H)	C(C[4]C[4,5]C[4])(CHHO)(CCH)	H(CCC)	116.8910	0.000	1	116.8910	0.000	1	116.6330	0.133	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2)(CH3)(CCH)	H(CCC)	114.4740	0.018	2	114.4740	0.000	2	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCC)(H)	C(C[5]N[5,6]C[5])(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCC)(H)	C(C[5]N[5,6]C[5])(CH3)(CCH)	H(CCC)	115.8830	0.000	1	115.8830	0.000	1	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCC)(H)	C(C[5]N[5,6]P[5])(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCC)(H)	C(C[5]N[5,6]P[5])(CH3)(CCH)	H(CCC)	115.6490	0.000	1	115.6490	0.000	1	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCH)(H)	C(C[5]C[5,5,6]N[5])(CCCH)(CCH)	H(CCC)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,5,6]N[5])(CCCH)(CCH)	H(CCC)	114.3810	0.000	1	114.3810	0.000	1	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	H(CCC)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	H(CCC)	118.1440	0.000	1	118.1440	0.000	1	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2)(CCHH)(CCH)	H(CCC)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2)(CCHH)(CCH)	H(CCC)	113.9230	0.000	1	113.9230	0.000	1	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2)(CH3)(CCH)	H(CCC)	115.2045	1.692	2	115.2045	2.863	2	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCH)(H)	C(C[5]N[5]2)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCH)(H)	C(C[5]N[5]2)(CH3)(CCH)	H(CCC)	116.9465	0.472	2	116.9465	0.222	2	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCN)(H)	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	H(CCC)	C(CC[5]C)(CCN)(H)	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	H(CCC)	117.5130	0.000	1	117.5130	0.000	1	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCO)(H)	C(C[5]C[5,5]C[5,6])(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCO)(H)	C(C[5]C[5,5]C[5,6])(CH3)(CCH)	H(CCC)	114.1193	0.295	3	114.1193	0.087	3	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCO)(H)	C(C[5]C[5,6]C[5])(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCO)(H)	C(C[5]C[5,6]C[5])(CH3)(CCH)	H(CCC)	113.7096	0.337	5	113.7096	0.114	5	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CC[6]C)(H)	C(C[5]C[5,6]N[5])(CH3)(CCH)	H(CCC)	C(CC[5]C)(CC[6]C)(H)	C(C[5]C[5,6]N[5])(CH3)(CCH)	H(CCC)	116.5030	0.000	1	116.5030	0.000	1	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[6,6]H)(CC[5]C)(H)	C(C[5]C[5,6]N[5])(CH3)(CCH)	H(CCC)	C(CC[6,6]H)(CC[5]C)(H)	C(C[5]C[5,6]N[5])(CH3)(CCH)	H(CCC)	116.9915	0.255	2	116.9915	0.065	2	115.2233	2.302	23	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(CCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCH)	H(CCC)	C(CC[5a]C)(CCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCH)	H(CCC)	115.3600	0.000	1	115.3600	0.000	1	117.5644	5.409	7	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(CC[6a]O)(H)	C(C[5a]C[5a,6a]C[5a])(CF3)(CCH)	H(CCC)	C(CC[5a]C)(CC[6a]O)(H)	C(C[5a]C[5a,6a]C[5a])(CF3)(CCH)	H(CCC)	117.4070	0.000	1	117.4070	0.000	1	117.5644	5.409	7	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CF3)(CCH)	H(CCC)	C(CC[5a]C)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CF3)(CCH)	H(CCC)	122.3820	0.000	1	122.3820	0.000	1	117.5644	5.409	7	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(CHN)(H)	C(C[5a]C[5a]2)(CH3)(CCH)	H(CCC)	C(CC[5a]C)(CHN)(H)	C(C[5a]C[5a]2)(CH3)(CCH)	H(CCC)	117.0630	0.000	1	117.0630	0.000	1	117.5644	5.409	7	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(CNO)(H)	C(C[5a]C[5a]N[5a])(CH3)(CCH)	H(CCC)	C(CC[5a]C)(CNO)(H)	C(C[5a]C[5a]N[5a])(CH3)(CCH)	H(CCC)	115.5600	0.000	1	115.5600	0.000	1	117.5644	5.409	7	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(CN[6]O)(H)	C(C[5a]C[5a]O[5a])(CH3)(CCH)	H(CCC)	C(CC[5a]C)(CN[6]O)(H)	C(C[5a]C[5a]O[5a])(CH3)(CCH)	H(CCC)	117.8020	0.000	1	117.8020	0.000	1	117.5644	5.409	7	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)	H(CCC)	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)	H(CCC)	117.3770	0.000	1	117.3770	0.000	1	117.5644	5.409	7	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[5]H)(CC[6]C)(H)	C(C[6]C[6]2)(CCHH)(CCH)	H(CCC)	C(CC[5]H)(CC[6]C)(H)	C(C[6]C[6]2)(CCHH)(CCH)	H(CCC)	116.2420	0.000	1	116.2420	0.000	1	115.8925	5.526	4	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(CCH)(H)	C(C[6]C[5,6]C[6])(CH3)(CCH)	H(CCC)	C(CC[6]C)(CCH)(H)	C(C[6]C[5,6]C[6])(CH3)(CCH)	H(CCC)	119.0150	0.000	1	119.0150	0.000	1	115.8925	5.526	4	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2)(CH3)(CCH)	H(CCC)	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2)(CH3)(CCH)	H(CCC)	114.7390	0.000	1	114.7390	0.000	1	115.8925	5.526	4	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CC[6]C)(H)	C(C[6]C[6]2)(CHHN)(CCH)	H(CCC)	C(CC[6a]C)(CC[6]C)(H)	C(C[6]C[6]2)(CHHN)(CCH)	H(CCC)	113.5740	0.000	1	113.5740	0.000	1	115.8925	5.526	4	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[5a]O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	C(CC[5a]O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	117.4020	0.000	1	117.4020	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CBrC)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	H(CCC)	C(CC[6a]C)(CBrC)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	H(CCC)	116.8770	0.000	1	116.8770	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	117.5470	0.000	1	117.5470	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CCH)	H(CCC)	115.0270	0.000	1	115.0270	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	114.0493	1.651	6	114.0493	2.727	6	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]O[6a])(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]O[6a])(CH3)(CCH)	H(CCC)	113.6400	0.000	1	113.6400	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(CCH)	H(CCC)	116.8465	0.183	2	116.8465	0.034	2	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	115.9140	0.000	1	115.9140	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	H(CCC)	120.1520	0.000	1	120.1520	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)	H(CCC)	118.7540	0.000	1	118.7540	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)	H(CCC)	116.6140	0.532	2	116.6140	0.283	2	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	116.6040	0.000	1	116.6040	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	117.8600	0.000	1	117.8600	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	H(CCC)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	H(CCC)	116.1830	0.000	1	116.1830	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	116.5680	0.000	1	116.5680	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CClHH)(CCH)	H(CCC)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CClHH)(CCH)	H(CCC)	116.1200	0.000	1	116.1200	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CF3)(CCH)	H(CCC)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CF3)(CCH)	H(CCC)	117.9190	0.000	1	117.9190	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CC[6]C)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CC[6]C)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	113.5360	0.000	1	113.5360	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	119.4380	0.000	1	119.4380	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	118.1460	0.000	1	118.1460	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CFSS)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CFSS)(CCH)	H(CCC)	116.9550	0.000	2	116.9550	0.000	2	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	116.0240	0.656	2	116.0240	0.431	2	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHHS)(CCH)	H(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHHS)(CCH)	H(CCC)	115.9410	0.045	2	115.9410	0.002	2	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	H(CCC)	119.7775	1.494	4	119.7775	2.233	4	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	117.7770	0.000	1	117.7770	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCHH)(CCH)	H(CCC)	C(CC[6a]C)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCHH)(CCH)	H(CCC)	116.2030	0.000	1	116.2030	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	116.7200	0.000	1	116.7200	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CF3)(CCH)	H(CCC)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CF3)(CCH)	H(CCC)	117.6320	0.000	1	117.6320	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	115.4060	0.024	2	115.4060	0.001	2	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	115.3640	0.000	1	115.3640	0.000	1	116.5991	3.804	44	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(CC[6a]P)(COO)(H)	C(C[6a]C[6a]2)(PC[6a]2N)(CCH)	H(CCC)	C(CC[6a]P)(COO)(H)	C(C[6a]C[6a]2)(PC[6a]2N)(CCH)	H(CCC)	116.7270	0.000	1	116.7270	0.000	1	116.7270	0.000	1	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C-3:	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a,6a]C[6a])(SCOO)(CCH)	H(CCC)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a,6a]C[6a])(SCOO)(CCH)	H(CCC)	117.5550	0.000	1	117.5550	0.000	1	118.2080	0.853	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C-3:	C(CC[6a]S)(CNO)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)	H(CCC)	C(CC[6a]S)(CNO)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)	H(CCC)	118.8610	0.000	1	118.8610	0.000	1	118.2080	0.853	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:Si-4:C-3:	C-3:	C(CC[6a]Si)(CC[6a]O)(H)	C(C[6a]C[6a]2)(SiC3)(CCH)	H(CCC)	C(CC[6a]Si)(CC[6a]O)(H)	C(C[6a]C[6a]2)(SiC3)(CCH)	H(CCC)	116.9910	0.000	1	116.9910	0.000	1	116.9910	0.000	1	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CAlC)(CCN)(H)	C(NC[6a]Al)(CH3)(CCH)	H(CCC)	C(CAlC)(CCN)(H)	C(NC[6a]Al)(CH3)(CCH)	H(CCC)	120.7020	0.000	1	120.7020	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCC)(CCN)(H)	C(NZrH)(CH3)(CCH)	H(CCC)	C(CCC)(CCN)(H)	C(NZrH)(CH3)(CCH)	H(CCC)	116.1440	0.000	1	116.1440	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCH)(CCN)(H)	C(NC[6a]O)(CCHH)(CCH)	H(CCC)	C(CCH)(CCN)(H)	C(NC[6a]O)(CCHH)(CCH)	H(CCC)	117.1080	0.000	1	117.1080	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NAlC)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NAlC)(CH3)(CCH)	H(CCC)	117.6217	0.503	3	117.6217	0.253	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[5]H)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[5]H)(CH3)(CCH)	H(CCC)	117.9005	0.823	4	117.9005	0.677	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[5]Ni)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[5]Ni)(CH3)(CCH)	H(CCC)	117.5555	0.453	4	117.5555	0.205	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6]H)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6]H)(CH3)(CCH)	H(CCC)	117.3635	0.199	2	117.3635	0.039	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Al)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Al)(CH3)(CCH)	H(CCC)	117.5760	0.183	4	117.5760	0.034	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Co)(CF3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Co)(CF3)(CCH)	H(CCC)	117.6960	0.014	2	117.6960	0.000	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Cr)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Cr)(CH3)(CCH)	H(CCC)	116.7930	0.000	1	116.7930	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Cu)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Cu)(CH3)(CCH)	H(CCC)	116.8256	0.420	17	116.8256	0.176	17	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Fe)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Fe)(CH3)(CCH)	H(CCC)	116.1520	0.000	1	116.1520	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]H)(CCCH)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]H)(CCCH)(CCH)	H(CCC)	118.5187	0.301	3	118.5187	0.091	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]H)(CCHH)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]H)(CCHH)(CCH)	H(CCC)	118.7046	1.177	8	118.7046	1.386	8	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	117.4808	0.826	37	117.4808	0.682	37	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Ir)(CF3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Ir)(CF3)(CCH)	H(CCC)	117.7590	0.000	1	117.7590	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Ir)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Ir)(CH3)(CCH)	H(CCC)	116.0373	0.448	11	116.0373	0.200	11	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Li)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Li)(CH3)(CCH)	H(CCC)	115.8005	0.204	2	115.8005	0.042	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Mg)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Mg)(CH3)(CCH)	H(CCC)	116.2150	0.302	3	116.2150	0.091	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Mo)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Mo)(CH3)(CCH)	H(CCC)	117.7416	0.563	17	117.7416	0.317	17	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Ni)(CF3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Ni)(CF3)(CCH)	H(CCC)	117.5555	0.226	2	117.5555	0.051	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Ni)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Ni)(CH3)(CCH)	H(CCC)	117.0963	0.789	3	117.0963	0.622	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Pd)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Pd)(CH3)(CCH)	H(CCC)	115.2532	0.317	11	115.2532	0.101	11	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Pt)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Pt)(CH3)(CCH)	H(CCC)	114.2690	0.000	1	114.2690	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Re)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Re)(CH3)(CCH)	H(CCC)	116.8613	0.778	9	116.8613	0.605	9	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Rh)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Rh)(CH3)(CCH)	H(CCC)	116.2395	0.422	2	116.2395	0.178	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Ru)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Ru)(CH3)(CCH)	H(CCC)	116.1450	0.242	3	116.1450	0.059	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CF3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CF3)(CCH)	H(CCC)	117.3212	0.682	9	117.3212	0.465	9	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CH3)(CCH)	H(CCC)	115.9993	0.710	12	115.9993	0.504	12	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NCoC)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NCoC)(CH3)(CCH)	H(CCC)	117.4704	0.385	11	117.4704	0.148	11	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NCuC)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NCuC)(CH3)(CCH)	H(CCC)	115.9130	1.458	2	115.9130	2.126	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NCuN)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NCuN)(CH3)(CCH)	H(CCC)	117.1960	0.132	2	117.1960	0.017	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NFeC)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NFeC)(CH3)(CCH)	H(CCC)	116.6012	0.489	13	116.6012	0.239	13	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NMgC)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NMgC)(CH3)(CCH)	H(CCC)	117.0270	0.000	1	117.0270	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NMnC)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NMnC)(CH3)(CCH)	H(CCC)	117.3816	0.421	8	117.3816	0.178	8	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NN[5]H)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NN[5]H)(CH3)(CCH)	H(CCC)	117.5000	0.173	2	117.5000	0.030	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NNiC)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NNiC)(CH3)(CCH)	H(CCC)	117.1780	0.648	8	117.1780	0.420	8	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NNiN)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NNiN)(CH3)(CCH)	H(CCC)	117.5530	0.000	1	117.5530	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NPdC)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NPdC)(CH3)(CCH)	H(CCC)	116.1830	0.000	1	116.1830	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NReC)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NReC)(CH3)(CCH)	H(CCC)	116.2040	1.119	4	116.2040	1.253	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NSnC)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NSnC)(CH3)(CCH)	H(CCC)	116.1200	0.092	2	116.1200	0.008	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NSnN)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NSnN)(CH3)(CCH)	H(CCC)	117.5770	0.000	1	117.5770	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(NZnC)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(NZnC)(CH3)(CCH)	H(CCC)	115.7085	0.382	19	115.7085	0.146	19	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(CCS)(H)	C(NC[6a]Ru)(CH3)(CCH)	H(CCC)	C(CCN)(CCS)(H)	C(NC[6a]Ru)(CH3)(CCH)	H(CCC)	114.1610	0.000	1	114.1610	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(COO)(H)	C(NC[5a]H)(CH3)(CCH)	H(CCC)	C(CCN)(COO)(H)	C(NC[5a]H)(CH3)(CCH)	H(CCC)	118.4255	0.084	2	118.4255	0.007	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(COO)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	C(CCN)(COO)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	118.0480	0.181	3	118.0480	0.033	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(COO)(H)	C(NN[5a]H)(CH3)(CCH)	H(CCC)	C(CCN)(COO)(H)	C(NN[5a]H)(CH3)(CCH)	H(CCC)	116.2690	0.000	1	116.2690	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(COO)(H)	C(NNiC)(CH3)(CCH)	H(CCC)	C(CCN)(COO)(H)	C(NNiC)(CH3)(CCH)	H(CCC)	118.2480	1.250	2	118.2480	1.563	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)(COO)(H)	C(NZnC)(CH3)(CCH)	H(CCC)	C(CCN)(COO)(H)	C(NZnC)(CH3)(CCH)	H(CCC)	116.6068	0.105	4	116.6068	0.011	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NAlC)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NAlC)(CH3)(CCH)	H(CCC)	115.5062	1.379	10	115.5062	1.901	10	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[5a]H)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[5a]H)(CH3)(CCH)	H(CCC)	115.7640	0.000	1	115.7640	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]Co)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]Co)(CC3)(CCH)	H(CCC)	115.4310	0.000	1	115.4310	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]Co)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]Co)(CH3)(CCH)	H(CCC)	115.7670	0.000	1	115.7670	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]Cr)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]Cr)(CC3)(CCH)	H(CCC)	113.9880	0.277	2	113.9880	0.077	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]Eu)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]Eu)(CH3)(CCH)	H(CCC)	115.3090	0.000	1	115.3090	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]Fe)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]Fe)(CH3)(CCH)	H(CCC)	115.1195	0.383	2	115.1195	0.146	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]Ir)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]Ir)(CH3)(CCH)	H(CCC)	114.8245	0.037	2	114.8245	0.001	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]Ni)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]Ni)(CH3)(CCH)	H(CCC)	115.6430	0.000	1	115.6430	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]Sn)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]Sn)(CH3)(CCH)	H(CCC)	114.6350	0.000	1	114.6350	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]Ti)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]Ti)(CH3)(CCH)	H(CCC)	116.1975	0.471	4	116.1975	0.222	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]V)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]V)(CH3)(CCH)	H(CCC)	115.8273	0.161	19	115.8273	0.026	19	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]Zn)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]Zn)(CH3)(CCH)	H(CCC)	111.5860	0.000	1	111.5860	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6]Zr)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6]Zr)(CH3)(CCH)	H(CCC)	113.3669	37.040	2	113.3669	1371.947	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Al)(CBHH)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Al)(CBHH)(CCH)	H(CCC)	116.3110	0.000	1	116.3110	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Al)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Al)(CC3)(CCH)	H(CCC)	113.4758	0.313	5	113.4758	0.098	5	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Al)(CCHH)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Al)(CCHH)(CCH)	H(CCC)	115.8890	0.343	4	115.8890	0.118	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Al)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Al)(CH3)(CCH)	H(CCC)	116.1719	0.515	213	116.1719	0.265	213	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Au)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Au)(CH3)(CCH)	H(CCC)	115.1005	0.021	2	115.1005	0.000	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]B)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]B)(CC3)(CCH)	H(CCC)	112.0150	0.000	1	112.0150	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]B)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]B)(CH3)(CCH)	H(CCC)	116.7750	0.000	2	116.7750	0.000	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Be)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Be)(CH3)(CCH)	H(CCC)	117.4062	0.606	18	117.4062	0.367	18	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Ca)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Ca)(CH3)(CCH)	H(CCC)	114.4831	1.062	10	114.4831	1.127	10	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Cd)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Cd)(CH3)(CCH)	H(CCC)	114.6396	0.102	5	114.6396	0.010	5	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Co)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Co)(CC3)(CCH)	H(CCC)	113.6354	0.908	25	113.6354	0.824	25	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Co)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Co)(CH3)(CCH)	H(CCC)	115.5890	0.656	17	115.5890	0.431	17	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Cr)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Cr)(CC3)(CCH)	H(CCC)	114.2920	0.629	2	114.2920	0.396	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Cr)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Cr)(CH3)(CCH)	H(CCC)	116.1846	0.424	119	116.1846	0.180	119	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Cu)(CF3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Cu)(CF3)(CCH)	H(CCC)	116.4600	0.481	24	116.4600	0.232	24	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Cu)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Cu)(CH3)(CCH)	H(CCC)	115.6347	0.593	113	115.6347	0.352	113	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Eu)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Eu)(CH3)(CCH)	H(CCC)	115.3980	0.000	1	115.3980	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Fe)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Fe)(CC3)(CCH)	H(CCC)	113.3330	0.340	50	113.3330	0.115	50	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Fe)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Fe)(CH3)(CCH)	H(CCC)	115.4751	0.427	95	115.4751	0.182	95	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]H)(CF3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]H)(CF3)(CCH)	H(CCC)	120.1040	0.000	1	120.1040	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	116.1606	0.716	13	116.1606	0.513	13	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Ir)(CF3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Ir)(CF3)(CCH)	H(CCC)	115.6695	0.250	4	115.6695	0.062	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Ir)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Ir)(CH3)(CCH)	H(CCC)	115.1521	1.414	10	115.1521	2.000	10	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Li)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Li)(CH3)(CCH)	H(CCC)	114.9712	1.130	5	114.9712	1.277	5	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Mg)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Mg)(CC3)(CCH)	H(CCC)	112.7460	0.004	2	112.7460	0.000	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Mg)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Mg)(CH3)(CCH)	H(CCC)	115.1001	0.418	231	115.1001	0.175	231	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Mn)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Mn)(CH3)(CCH)	H(CCC)	115.2604	0.443	14	115.2604	0.196	14	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Nb)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Nb)(CH3)(CCH)	H(CCC)	115.8360	0.000	1	115.8360	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Ni)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Ni)(CC3)(CCH)	H(CCC)	114.0511	0.217	12	114.0511	0.047	12	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Ni)(CF3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Ni)(CF3)(CCH)	H(CCC)	117.2160	0.021	2	117.2160	0.000	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Ni)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Ni)(CH3)(CCH)	H(CCC)	116.2692	1.002	69	116.2692	1.004	69	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Os)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Os)(CH3)(CCH)	H(CCC)	116.1880	0.069	2	116.1880	0.005	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Pb)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Pb)(CC3)(CCH)	H(CCC)	114.9575	0.852	4	114.9575	0.727	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Pb)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Pb)(CH3)(CCH)	H(CCC)	114.8982	0.484	49	114.8982	0.235	49	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Pd)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Pd)(CH3)(CCH)	H(CCC)	116.2151	0.668	36	116.2151	0.446	36	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Pt)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Pt)(CH3)(CCH)	H(CCC)	115.2310	0.165	7	115.2310	0.027	7	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Re)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Re)(CH3)(CCH)	H(CCC)	115.9733	0.630	23	115.9733	0.397	23	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Rh)(CF3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Rh)(CF3)(CCH)	H(CCC)	115.8535	0.662	4	115.8535	0.438	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Rh)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Rh)(CH3)(CCH)	H(CCC)	114.7274	0.989	34	114.7274	0.978	34	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Ru)(CF3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Ru)(CF3)(CCH)	H(CCC)	116.3922	0.220	10	116.3922	0.049	10	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Ru)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Ru)(CH3)(CCH)	H(CCC)	116.0873	0.250	23	116.0873	0.063	23	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Si)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Si)(CH3)(CCH)	H(CCC)	115.5960	0.000	1	115.5960	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Sn)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Sn)(CC3)(CCH)	H(CCC)	113.9374	1.447	8	113.9374	2.094	8	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Sn)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Sn)(CH3)(CCH)	H(CCC)	115.1688	0.639	55	115.1688	0.408	55	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]V)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]V)(CH3)(CCH)	H(CCC)	115.6925	0.040	2	115.6925	0.002	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Zn)(CC3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Zn)(CC3)(CCH)	H(CCC)	113.0654	0.273	5	113.0654	0.074	5	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Zn)(CF3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Zn)(CF3)(CCH)	H(CCC)	116.3638	0.196	5	116.3638	0.038	5	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Zn)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Zn)(CH3)(CCH)	H(CCC)	115.1130	0.514	105	115.1130	0.264	105	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NCaC)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NCaC)(CH3)(CCH)	H(CCC)	114.5110	0.000	1	114.5110	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NCaN)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NCaN)(CH3)(CCH)	H(CCC)	114.4537	0.322	4	114.4537	0.104	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NCrC)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NCrC)(CH3)(CCH)	H(CCC)	116.2897	1.754	3	116.2897	3.075	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NCuC)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NCuC)(CH3)(CCH)	H(CCC)	115.1049	1.847	51	115.1049	3.412	51	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NFeC)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NFeC)(CH3)(CCH)	H(CCC)	115.2433	0.942	26	115.2433	0.887	26	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NLiC)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NLiC)(CH3)(CCH)	H(CCC)	115.5553	0.065	4	115.5553	0.004	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NMgC)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NMgC)(CH3)(CCH)	H(CCC)	114.8603	0.273	9	114.8603	0.074	9	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NMgN)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NMgN)(CH3)(CCH)	H(CCC)	114.9540	0.000	1	114.9540	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NNb[3,3]C[6a])(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NNb[3,3]C[6a])(CH3)(CCH)	H(CCC)	115.7120	0.000	1	115.7120	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NNb[5x3]C[6a])(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NNb[5x3]C[6a])(CH3)(CCH)	H(CCC)	116.3610	0.000	1	116.3610	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NNiC)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NNiC)(CH3)(CCH)	H(CCC)	116.9025	0.245	2	116.9025	0.060	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NNiN)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NNiN)(CH3)(CCH)	H(CCC)	115.7155	1.249	2	115.7155	1.561	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NPdC)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NPdC)(CH3)(CCH)	H(CCC)	118.6218	1.392	6	118.6218	1.939	6	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NPdN)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NPdN)(CH3)(CCH)	H(CCC)	114.5770	0.058	2	114.5770	0.003	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NRuH)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NRuH)(CH3)(CCH)	H(CCC)	116.5540	0.000	1	116.5540	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NSnC)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NSnC)(CH3)(CCH)	H(CCC)	114.6232	0.312	12	114.6232	0.097	12	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NZnC)(CF3)(CCH)	H(CCC)	C(CCN)2(H)	C(NZnC)(CF3)(CCH)	H(CCC)	115.3420	0.198	2	115.3420	0.039	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CCN)2(H)	C(NZnC)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NZnC)(CH3)(CCH)	H(CCC)	114.8810	0.550	20	114.8810	0.303	20	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[5]O)(CCN)(H)	C(NC[6a]Cu)(CH3)(CCH)	H(CCC)	C(CC[5]O)(CCN)(H)	C(NC[6a]Cu)(CH3)(CCH)	H(CCC)	115.8640	0.335	4	115.8640	0.112	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[5]O)(CCN)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	C(CC[5]O)(CCN)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	117.5335	0.519	8	117.5335	0.269	8	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[5]O)(CCN)(H)	C(NC[6a]Ni)(CH3)(CCH)	H(CCC)	C(CC[5]O)(CCN)(H)	C(NC[6a]Ni)(CH3)(CCH)	H(CCC)	117.3112	0.209	5	117.3112	0.044	5	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[5]O)(CCN)(H)	C(NNiC)(CH3)(CCH)	H(CCC)	C(CC[5]O)(CCN)(H)	C(NNiC)(CH3)(CCH)	H(CCC)	117.7760	0.096	3	117.7760	0.009	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[5a]O)(CCN)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	C(CC[5a]O)(CCN)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	117.3204	0.360	5	117.3204	0.129	5	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCN)(H)	C(NC[6a]S)(CHHS)(CCH)	H(CCC)	C(CC[6a]C)(CCN)(H)	C(NC[6a]S)(CHHS)(CCH)	H(CCC)	116.3660	0.000	1	116.3660	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]N)(CCN)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	C(CC[6a]N)(CCN)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	118.7385	3.276	2	118.7385	10.732	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]N)(CCN)(H)	C(NCoH)(CH3)(CCH)	H(CCC)	C(CC[6a]N)(CCN)(H)	C(NCoH)(CH3)(CCH)	H(CCC)	118.5720	0.147	3	118.5720	0.022	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]N)(CCN)(H)	C(NCuC)(CH3)(CCH)	H(CCC)	C(CC[6a]N)(CCN)(H)	C(NCuC)(CH3)(CCH)	H(CCC)	116.0307	0.128	3	116.0307	0.016	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]N)(CCN)(H)	C(NNiC)(CH3)(CCH)	H(CCC)	C(CC[6a]N)(CCN)(H)	C(NNiC)(CH3)(CCH)	H(CCC)	117.8660	0.363	4	117.8660	0.132	4	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[5a]H)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[5a]H)(CH3)(CCH)	H(CCC)	118.6420	0.000	1	118.6420	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6a]Co)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6a]Co)(CH3)(CCH)	H(CCC)	115.7578	0.349	5	115.7578	0.122	5	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6a]Cr)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6a]Cr)(CH3)(CCH)	H(CCC)	116.5497	1.197	3	116.5497	1.433	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6a]H)(CCHH)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6a]H)(CCHH)(CCH)	H(CCC)	118.4290	0.000	1	118.4290	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6a]H)(CF3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6a]H)(CF3)(CCH)	H(CCC)	117.9950	0.000	1	117.9950	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6a]H)(CH3)(CCH)	H(CCC)	117.6300	0.608	7	117.6300	0.369	7	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6a]Ni)(CF3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6a]Ni)(CF3)(CCH)	H(CCC)	117.1790	0.000	1	117.1790	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6a]Ni)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6a]Ni)(CH3)(CCH)	H(CCC)	116.8133	0.290	6	116.8133	0.084	6	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6a]Pd)(CF3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6a]Pd)(CF3)(CCH)	H(CCC)	116.3130	0.370	3	116.3130	0.137	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6a]Ru)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6a]Ru)(CH3)(CCH)	H(CCC)	116.7580	0.000	1	116.7580	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NC[6a]Zn)(CF3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NC[6a]Zn)(CF3)(CCH)	H(CCC)	117.7425	0.136	2	117.7425	0.019	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NCoC)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NCoC)(CH3)(CCH)	H(CCC)	116.2000	0.995	7	116.2000	0.990	7	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NCuC)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NCuC)(CH3)(CCH)	H(CCC)	117.0687	0.507	8	117.0687	0.257	8	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NFeN)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NFeN)(CH3)(CCH)	H(CCC)	116.8240	0.100	2	116.8240	0.010	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NMnC)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NMnC)(CH3)(CCH)	H(CCC)	117.2490	0.325	2	117.2490	0.106	2	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NMoN)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NMoN)(CH3)(CCH)	H(CCC)	116.4130	0.637	3	116.4130	0.406	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NNiC)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NNiC)(CH3)(CCH)	H(CCC)	117.5562	0.900	5	117.5562	0.811	5	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NZnC)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NZnC)(CH3)(CCH)	H(CCC)	115.7987	0.173	3	115.7987	0.030	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(NZnN)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(NZnN)(CH3)(CCH)	H(CCC)	115.2520	0.000	1	115.2520	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CC[6a]Te)(CCN)(H)	C(NTeO)(CH3)(CCH)	H(CCC)	C(CC[6a]Te)(CCN)(H)	C(NTeO)(CH3)(CCH)	H(CCC)	119.0170	0.689	3	119.0170	0.475	3	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(CReC)(CCN)(H)	C(NC[6a]Re)(CH3)(CCH)	H(CCC)	C(CReC)(CCN)(H)	C(NC[6a]Re)(CH3)(CCH)	H(CCC)	120.6810	0.000	1	120.6810	0.000	1	115.7462	2.128	2007	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N[5]-3:C-4:C-3:	C-3:	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdCH)(CCH)	H(CCC)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdCH)(CCH)	H(CCC)	116.2090	0.415	6	116.2090	0.172	6	116.8738	2.765	8	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N[5]-3:C-4:C-3:	C-3:	C(CN[5]C)(CCO)(H)	C(N[5]C[5]2)(CN[5a]HH)(CCH)	H(CCC)	C(CN[5]C)(CCO)(H)	C(N[5]C[5]2)(CN[5a]HH)(CCH)	H(CCC)	116.8820	0.000	1	116.8820	0.000	1	116.8738	2.765	8	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N[5]-3:C-4:C-3:	C-3:	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CH3)(CCH)	H(CCC)	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CH3)(CCH)	H(CCC)	120.8540	0.000	1	120.8540	0.000	1	116.8738	2.765	8	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N[6]-3:C-4:C-3:	C-3:	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CPdCH)(CCH)	H(CCC)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CPdCH)(CCH)	H(CCC)	116.2877	0.263	3	116.2877	0.069	3	116.2877	0.069	3	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(OCoLi)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(OCoLi)(CH3)(CCH)	H(CCC)	116.7160	0.000	1	116.7160	0.000	1	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(OFe2)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(OFe2)(CH3)(CCH)	H(CCC)	115.7210	0.000	1	115.7210	0.000	1	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(OLi2)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(OLi2)(CH3)(CCH)	H(CCC)	115.8095	0.233	2	115.8095	0.054	2	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(OMg2)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(OMg2)(CH3)(CCH)	H(CCC)	116.1730	0.314	2	116.1730	0.099	2	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCN)(CCO)(H)	C(OZn2)(CH3)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(OZn2)(CH3)(CCH)	H(CCC)	115.8407	0.601	8	115.8407	0.361	8	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(OCo2)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(OCo2)(CH3)(CCH)	H(CCC)	117.4580	0.367	3	117.4580	0.135	3	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(OCoLi)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(OCoLi)(CH3)(CCH)	H(CCC)	117.9245	0.052	2	117.9245	0.003	2	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(OFeLi)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(OFeLi)(CH3)(CCH)	H(CCC)	118.2845	0.013	2	118.2845	0.000	2	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(OLiMg)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(OLiMg)(CH3)(CCH)	H(CCC)	118.4270	0.000	1	118.4270	0.000	1	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(OLiNi)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(OLiNi)(CH3)(CCH)	H(CCC)	118.1140	0.035	2	118.1140	0.001	2	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(OMg2)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(OMg2)(CH3)(CCH)	H(CCC)	117.9970	0.391	3	117.9970	0.153	3	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(ONi2)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(ONi2)(CH3)(CCH)	H(CCC)	117.9073	0.817	3	117.9073	0.667	3	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(OZn2)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(OZn2)(CH3)(CCH)	H(CCC)	117.5470	0.329	3	117.5470	0.108	3	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)2(H)	C(OBa2)(CH3)(CCH)	H(CCC)	C(CCO)2(H)	C(OBa2)(CH3)(CCH)	H(CCC)	116.0620	0.000	1	116.0620	0.000	1	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)2(H)	C(OBaCo)(CH3)(CCH)	H(CCC)	C(CCO)2(H)	C(OBaCo)(CH3)(CCH)	H(CCC)	117.7600	0.000	1	117.7600	0.000	1	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)2(H)	C(OCdNi)(CH3)(CCH)	H(CCC)	C(CCO)2(H)	C(OCdNi)(CH3)(CCH)	H(CCC)	116.3185	0.057	2	116.3185	0.003	2	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)2(H)	C(OCo2)(CH3)(CCH)	H(CCC)	C(CCO)2(H)	C(OCo2)(CH3)(CCH)	H(CCC)	116.3804	0.386	5	116.3804	0.149	5	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)2(H)	C(OMg2)(CH3)(CCH)	H(CCC)	C(CCO)2(H)	C(OMg2)(CH3)(CCH)	H(CCC)	116.8250	0.126	2	116.8250	0.016	2	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)2(H)	C(ONi2)(CH3)(CCH)	H(CCC)	C(CCO)2(H)	C(ONi2)(CH3)(CCH)	H(CCC)	116.2990	0.342	3	116.2990	0.117	3	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)2(H)	C(ORu2)(CH3)(CCH)	H(CCC)	C(CCO)2(H)	C(ORu2)(CH3)(CCH)	H(CCC)	115.8200	0.000	1	115.8200	0.000	1	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:	C(CCO)2(H)	C(OZn2)(CH3)(CCH)	H(CCC)	C(CCO)2(H)	C(OZn2)(CH3)(CCH)	H(CCC)	117.0450	0.000	1	117.0450	0.000	1	116.8715	0.943	49	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	S-3:C[5]-4:C-3:	C-3:	C(CC[5]S)(CCH)(H)	C(SC[5x3,5x5,20x6]Co)(C[5]C[5]2Fe)(CCH)	H(CCC)	C(CC[5]S)(CCH)(H)	C(SC[5x3,5x5,20x6]Co)(C[5]C[5]2Fe)(CCH)	H(CCC)	114.7600	0.000	1	114.7600	0.000	1	114.7600	0.000	1	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	B-3:Si-4:C-3:	C-3:	C(CSiB)(NCC)(H)	C(BC[6a]2)(SiC3)(CHN)	H(CCN)	C(CSiB)(NCC)(H)	C(BC[6a]2)(SiC3)(CHN)	H(CCN)	115.4540	0.000	1	115.4540	0.000	1	115.4540	0.000	1	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(NCH)(H)	C(CC[6a]O)(CH3)(CHN)	H(CCN)	C(CCC)(NCH)(H)	C(CC[6a]O)(CH3)(CHN)	H(CCN)	117.0315	0.145	2	117.0315	0.021	2	117.6347	1.102	3	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCC)(NHS)(H)	C(CC[5a]H)(CCHH)(CHN)	H(CCN)	C(CCC)(NHS)(H)	C(CC[5a]H)(CCHH)(CHN)	H(CCN)	118.8410	0.000	1	118.8410	0.000	1	117.6347	1.102	3	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[4]-3:Si-4:C-3:	C-3:	C(CC[4]Si)(NCC)(H)	C(C[4]N[4]2)(SiC3)(CHN)	H(CCN)	C(CC[4]Si)(NCC)(H)	C(C[4]N[4]2)(SiC3)(CHN)	H(CCN)	112.6780	0.000	1	112.6780	0.000	1	112.6780	0.000	1	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(NCS)(H)	C(C[5a]C[5a,6a]2)(CH3)(CHN)	H(CCN)	C(CC[5a]C)(NCS)(H)	C(C[5a]C[5a,6a]2)(CH3)(CHN)	H(CCN)	117.0800	0.000	1	117.0800	0.000	1	117.2915	0.089	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(NOO)(H)	C(C[5a]C[5a]O[5a])(CH3)(CHN)	H(CCN)	C(CC[5a]C)(NOO)(H)	C(C[5a]C[5a]O[5a])(CH3)(CHN)	H(CCN)	117.5030	0.000	1	117.5030	0.000	1	117.2915	0.089	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CH3)(CHN)	H(CCN)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CH3)(CHN)	H(CCN)	119.3403	2.792	3	119.3403	7.797	3	117.9308	2.549	11	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	H(CCN)	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	H(CCN)	117.4802	0.326	4	117.4802	0.106	4	117.9308	2.549	11	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(NC[6]S)(H)	C(C[6a]C[6a]2)(CCHH)(CHN)	H(CCN)	C(CC[6a]C)(NC[6]S)(H)	C(C[6a]C[6a]2)(CCHH)(CHN)	H(CCN)	117.6420	0.000	1	117.6420	0.000	1	117.9308	2.549	11	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(NHH)(H)	C(C[6a]N[6a]2)(CCHH)(CHN)	H(CCN)	C(CC[6a]C)(NHH)(H)	C(C[6a]N[6a]2)(CCHH)(CHN)	H(CCN)	116.6730	0.000	1	116.6730	0.000	1	117.9308	2.549	11	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CF3)(CHN)	H(CCN)	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CF3)(CHN)	H(CCN)	118.1030	0.000	1	118.1030	0.000	1	117.9308	2.549	11	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CHHS)(CHN)	H(CCN)	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CHHS)(CHN)	H(CCN)	116.8790	0.000	1	116.8790	0.000	1	117.9308	2.549	11	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6a]-3:Ge-4:C-3:	C-3:	C(CC[6a]Ge)(NC[6a]C)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHN)	H(CCN)	C(CC[6a]Ge)(NC[6a]C)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHN)	H(CCN)	116.7840	0.000	1	116.7840	0.000	1	116.7840	0.000	1	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(CC[6a]P)(NCH)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	H(CCN)	C(CC[6a]P)(NCH)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	H(CCN)	117.6340	1.073	2	117.6340	1.152	2	117.6340	1.152	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6a]-3:Si-4:C-3:	C-3:	C(CC[6a]Si)(NC[6]S)(H)	C(C[6a]C[6a]2)(SiCCH)(CHN)	H(CCN)	C(CC[6a]Si)(NC[6]S)(H)	C(C[6a]C[6a]2)(SiCCH)(CHN)	H(CCN)	117.9370	0.000	1	117.9370	0.000	1	117.9370	0.000	1	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[4a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[4a]C[4a]2)(CCN)(H)	C(CC[4a]H)(CH3)(NHH)	H(CC[4a]C)	C(C[4a]C[4a]2)(CCN)(H)	C(CC[4a]H)(CH3)(NHH)	H(CC[4a]C)	117.9280	0.000	1	117.9280	0.000	1	117.9280	0.000	1	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CCCH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CCCH)(CCH)	H(CC[5]C)	114.8222	0.238	9	114.8222	0.057	9	115.0861	0.757	11	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CH3)(CCO)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CH3)(CCO)	H(CC[5]C)	117.6280	0.000	1	117.6280	0.000	1	115.0861	0.757	11	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CH3)(CHH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)(CH3)(CHH)	H(CC[5]C)	114.9190	0.000	1	114.9190	0.000	1	115.0861	0.757	11	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(CCO)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(CCO)	H(CC[5a]C)	116.1080	0.000	1	116.1080	0.000	1	115.1418	2.010	12	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CHHN)(COO)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CHHN)(COO)	H(CC[5a]C)	115.4640	0.000	1	115.4640	0.000	1	115.1418	2.010	12	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(CCH)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(CCH)	H(CC[5a]C)	119.2730	0.000	1	119.2730	0.000	1	115.1418	2.010	12	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(CHO)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(CHO)	H(CC[5a]C)	114.5680	0.000	1	114.5680	0.000	1	115.1418	2.010	12	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(COO)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(COO)	H(CC[5a]C)	114.4890	0.000	1	114.4890	0.000	1	115.1418	2.010	12	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CH3)(CCH)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CH3)(CCH)	H(CC[5a]C)	114.8690	0.000	1	114.8690	0.000	1	115.1418	2.010	12	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(CCO)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(CCO)	H(CC[5a]C)	114.0520	0.000	1	114.0520	0.000	1	115.1418	2.010	12	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(CHN)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CCHH)(CHN)	H(CC[5a]C)	114.4720	0.000	1	114.4720	0.000	1	115.1418	2.010	12	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CH3)(CCO)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CH3)(CCO)	H(CC[5a]C)	114.8120	0.085	2	114.8120	0.007	2	115.1418	2.010	12	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CHHO)(COO)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CHHO)(COO)	H(CC[5a]C)	114.0880	0.000	1	114.0880	0.000	1	115.1418	2.010	12	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CHHS)(COO)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CHHS)(COO)	H(CC[5a]C)	114.6950	0.000	1	114.6950	0.000	1	115.1418	2.010	12	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCN)(H)	C(CC[5a]H)(CH3)(NOO)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCN)(H)	C(CC[5a]H)(CH3)(NOO)	H(CC[5a]C)	115.6860	0.267	2	115.6860	0.071	2	115.5645	0.190	4	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[5a]C[5a]O[5a])(CCN)(H)	C(CC[5a]H)(CH3)(NOO)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCN)(H)	C(CC[5a]H)(CH3)(NOO)	H(CC[5a]C)	115.9120	0.000	1	115.9120	0.000	1	115.5645	0.190	4	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CC[5a]H)(CH3)(NOO)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CC[5a]H)(CH3)(NOO)	H(CC[5a]C)	114.9740	0.000	1	114.9740	0.000	1	115.5645	0.190	4	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[5a]H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[5a]H)	H(CC[5a]C)	118.8590	0.000	1	118.8590	0.000	1	118.8590	0.000	1	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6,6]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6])(CCC)(H)	C(CC[6,6]H)(CCCH)(CCO)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6])(CCC)(H)	C(CC[6,6]H)(CCCH)(CCO)	H(CC[6,6]C)	115.4370	0.000	1	115.4370	0.000	1	114.7405	0.970	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6,6]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6,6]C[4,6,6]C[6,6])(CCC)(H)	C(CC[6,6]H)(CH3)(CHH)	H(CC[6,6]C)	C(C[6,6]C[4,6,6]C[6,6])(CCC)(H)	C(CC[6,6]H)(CH3)(CHH)	H(CC[6,6]C)	114.0440	0.000	1	114.0440	0.000	1	114.7405	0.970	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6]C[6,6a]C[6])(CCC)(H)	C(CC[6]H)(CCCH)(COO)	H(CC[6]C)	C(C[6]C[6,6a]C[6])(CCC)(H)	C(CC[6]H)(CCCH)(COO)	H(CC[6]C)	113.1030	0.000	1	113.1030	0.000	1	114.4140	1.130	5	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CCCH)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CCCH)(CCH)	H(CC[6]C)	113.7070	0.000	1	113.7070	0.000	1	114.4140	1.130	5	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CCCH)(CCO)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CCCH)(CCO)	H(CC[6]C)	114.3550	0.000	1	114.3550	0.000	1	114.4140	1.130	5	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CH3)(CCH)	H(CC[6]C)	115.4525	0.374	2	115.4525	0.140	2	114.4140	1.130	5	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[6]C[5a,6]2)(CCN)(H)	C(CC[6]H)(CH3)(NCC)	H(CC[6]C)	C(C[6]C[5a,6]2)(CCN)(H)	C(CC[6]H)(CH3)(NCC)	H(CC[6]C)	116.0600	0.000	2	116.0600	0.000	2	116.0600	0.000	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:B-3:	C-3:	C(C[6a]C[6a]2)(CBC)(H)	C(CC[6a]H)(CHHO)(BOO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBC)(H)	C(CC[6a]H)(CHHO)(BOO)	H(CC[6a]C)	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CCCH)(COO)	H(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CCCH)(COO)	H(CC[6a]C)	114.8990	0.000	1	114.8990	0.000	1	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CH3)(CCH)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CH3)(CCH)	H(CC[6a]C)	116.3455	0.094	2	116.3455	0.009	2	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CHHN)(COO)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CHHN)(COO)	H(CC[6a]C)	116.2900	0.000	1	116.2900	0.000	1	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CBrHH)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CBrHH)(COO)	H(CC[6a]C)	115.0950	1.608	5	115.0950	2.587	5	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCH)(CHO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCH)(CHO)	H(CC[6a]C)	115.7670	0.000	1	115.7670	0.000	1	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCH)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCH)(COO)	H(CC[6a]C)	116.3165	2.754	2	116.3165	7.586	2	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCN)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCN)(CCH)	H(CC[6a]C)	116.1290	0.383	3	116.1290	0.146	3	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCO)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCO)(CCH)	H(CC[6a]C)	116.1160	0.339	2	116.1160	0.115	2	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(CCH)	H(CC[6a]C)	115.8935	0.045	2	115.8935	0.002	2	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(CCO)	H(CC[6a]C)	115.5436	0.502	7	115.5436	0.252	7	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(COO)	H(CC[6a]C)	115.6243	1.140	12	115.6243	1.300	12	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CClHH)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CClHH)(COO)	H(CC[6a]C)	115.8060	0.000	1	115.8060	0.000	1	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CF3)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CF3)(COO)	H(CC[6a]C)	114.3490	0.000	1	114.3490	0.000	1	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(CCC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(CCC)	H(CC[6a]C)	116.0405	0.575	2	116.0405	0.330	2	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(CCH)	H(CC[6a]C)	116.4260	0.000	1	116.4260	0.000	1	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(CCO)	H(CC[6a]C)	115.0033	1.507	7	115.0033	2.272	7	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(CHN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(CHN)	H(CC[6a]C)	114.7024	0.621	12	114.7024	0.386	12	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(CNO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(CNO)	H(CC[6a]C)	117.0330	1.532	2	117.0330	2.346	2	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)(COO)	H(CC[6a]C)	116.9038	1.221	6	116.9038	1.491	6	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHI)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHI)(COO)	H(CC[6a]C)	114.6975	0.681	2	114.6975	0.464	2	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(CCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(CCH)	H(CC[6a]C)	116.1610	0.000	1	116.1610	0.000	1	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(COO)	H(CC[6a]C)	115.9174	1.211	9	115.9174	1.467	9	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHO)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHO)(CCO)	H(CC[6a]C)	114.9695	0.162	4	114.9695	0.026	4	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHO)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHO)(COO)	H(CC[6a]C)	115.5883	0.853	15	115.5883	0.728	15	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHP)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHP)(COO)	H(CC[6a]C)	116.2900	0.740	2	116.2900	0.547	2	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHS)(CNO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHS)(CNO)	H(CC[6a]C)	115.6403	0.594	3	115.6403	0.352	3	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHS)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHS)(COO)	H(CC[6a]C)	113.7650	0.000	1	113.7650	0.000	1	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CPdHH)(CCC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CPdHH)(CCC)	H(CC[6a]C)	115.3410	0.000	1	115.3410	0.000	1	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CPdHH)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CPdHH)(COO)	H(CC[6a]C)	115.0400	0.902	2	115.0400	0.814	2	115.5751	1.204	110	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(CC[6a]H)(CH3)(NOO)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(CC[6a]H)(CH3)(NOO)	H(CC[6a]C)	120.4490	0.000	1	120.4490	0.000	1	116.2995	3.342	18	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCHH)(NNiH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCHH)(NNiH)	H(CC[6a]C)	114.0470	0.000	1	114.0470	0.000	1	116.2995	3.342	18	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCHH)(NOO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCHH)(NOO)	H(CC[6a]C)	114.5880	0.000	1	114.5880	0.000	1	116.2995	3.342	18	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCHO)(NOO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCHO)(NOO)	H(CC[6a]C)	115.8510	0.000	1	115.8510	0.000	1	116.2995	3.342	18	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CH3)(NCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CH3)(NCO)	H(CC[6a]C)	117.0160	0.000	1	117.0160	0.000	1	116.2995	3.342	18	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CH3)(NOO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CH3)(NOO)	H(CC[6a]C)	115.6778	1.312	9	115.6778	1.721	9	116.2995	3.342	18	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CHHO)(NNiC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CHHO)(NNiC)	H(CC[6a]C)	119.8350	0.000	1	119.8350	0.000	1	116.2995	3.342	18	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CHHO)(NOO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CHHO)(NOO)	H(CC[6a]C)	116.7205	0.441	2	116.7205	0.194	2	116.2995	3.342	18	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:N-3:	C-3:	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	C(CC[6a]H)(CH3)(NCC)	H(CC[6a]C)	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	C(CC[6a]H)(CH3)(NCC)	H(CC[6a]C)	117.0640	0.000	1	117.0640	0.000	1	116.2995	3.342	18	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:P-4:C-3:	C-3:	C(C[6a]C[6a]2)(CCP)(H)	C(CC[6a]H)(PO3)(CNO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCP)(H)	C(CC[6a]H)(PO3)(CNO)	H(CC[6a]C)	114.4900	0.058	3	114.4900	0.003	3	114.4900	0.003	3	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C-3:Si-4:Ga-3:	C-3:	C(C[6a]C[6a]2)(CGaSi)(H)	C(CC[6a]H)(SiC3)(GaCC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGaSi)(H)	C(CC[6a]H)(SiC3)(GaCC)	H(CC[6a]C)	116.6310	1.207	4	116.6310	1.457	4	116.6310	1.457	4	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C[6]-3:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(CC[6a]HH)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(CC[6a]HH)(CC[6a]H)	H(CC[6a]C)	115.7860	0.590	2	115.7860	0.348	2	115.7860	0.348	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]H)	H(CC[6a]C)	114.7690	0.038	2	114.7690	0.001	2	114.7690	0.001	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6]-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]H)	H(CC[6a]C)	115.1990	0.037	2	115.1990	0.001	2	115.1990	0.001	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]H)	H(CC[6a]C)	113.9655	0.429	2	113.9655	0.184	2	113.9655	0.184	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]H)	H(CC[6a]C)	114.2880	0.000	1	114.2880	0.000	1	115.3790	0.436	6	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	H(CC[6a]C)	115.5972	0.434	5	115.5972	0.188	5	115.3790	0.436	6	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:Si-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC[6a]2Si)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC[6a]2Si)(CC[6a]H)	H(CC[6a]C)	114.5872	0.566	6	114.5872	0.320	6	114.6021	0.268	7	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:Si-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC[6a]3)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC[6a]3)(CC[6a]H)	H(CC[6a]C)	114.6920	0.000	1	114.6920	0.000	1	114.6021	0.268	7	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N[5]-3:Ge-4:C-3:	C-3:	C(C[6a]C[6a]2)(CN[5]Ge)(H)	C(N[5]C[5]2)(GeC[6a]3)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CN[5]Ge)(H)	C(N[5]C[5]2)(GeC[6a]3)(CC[6a]H)	H(CC[6a]C)	114.4287	0.299	3	114.4287	0.089	3	114.4287	0.089	3	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	N-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CH3)(CHN)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CH3)(CHN)	H(CCN)	117.0830	0.000	1	117.0830	0.000	1	116.2525	1.379	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	N-3:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(NPdC)(CCC)(H)	C(CC[6a]H)(CH3)(CHN)	H(CCN)	C(NPdC)(CCC)(H)	C(CC[6a]H)(CH3)(CHN)	H(CCN)	115.4220	0.000	1	115.4220	0.000	1	116.2525	1.379	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	N-3:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(NC[6a]Ni)(CCN)(H)	C(NC[6a]Ni)(CH3)(CHN)	H(CCN)	C(NC[6a]Ni)(CCN)(H)	C(NC[6a]Ni)(CH3)(CHN)	H(CCN)	121.8025	0.145	2	121.8025	0.021	2	121.8025	0.021	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	N[5]-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]H)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]H)	H(CN[5]C)	117.6480	0.433	2	117.6480	0.187	2	117.6480	0.187	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:3:	3:	N[5]-3:C-3:H-1:	C[6a]-3:Ge-4:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]Ge)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]Ge)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	H(CN[5]C)	116.9305	0.900	2	116.9305	0.810	2	116.9305	0.810	2	115.7957	2.252	2431	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCCH)(CH3)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCCH)(CH3)	H(CC[5a]C)	115.4340	0.000	1	115.4340	0.000	1	115.9168	0.512	13	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCCH)(CHHN)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCCH)(CHHN)	H(CC[5a]C)	116.7700	0.000	1	116.7700	0.000	1	115.9168	0.512	13	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCHO)(CH3)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCHO)(CH3)	H(CC[5a]C)	116.2788	0.596	5	116.2788	0.355	5	115.9168	0.512	13	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CH3)2	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CH3)2	H(CC[5a]C)	114.9930	0.000	1	114.9930	0.000	1	115.9168	0.512	13	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CH3)2	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5a]H)(CH3)2	H(CC[5a]C)	114.5550	0.000	1	114.5550	0.000	1	115.9168	0.512	13	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5a]N[5a,6a]C[5a])(CCC)(H)	C(CC[5a]H)(CH3)2	H(CC[5a]C)	C(C[5a]N[5a,6a]C[5a])(CCC)(H)	C(CC[5a]H)(CH3)2	H(CC[5a]C)	116.1250	0.000	1	116.1250	0.000	1	115.9168	0.512	13	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5a]N[5a]2)(CCC)(H)	C(CC[5a]H)(CCHH)(CH3)	H(CC[5a]C)	C(C[5a]N[5a]2)(CCC)(H)	C(CC[5a]H)(CCHH)(CH3)	H(CC[5a]C)	115.6395	0.009	2	115.6395	0.000	2	115.9168	0.512	13	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[5a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5a]N[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CCHO)(CH3)	H(CC[5a]C)	C(C[5a]N[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CCHO)(CH3)	H(CC[5a]C)	116.3690	0.000	1	116.3690	0.000	1	115.9168	0.512	13	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[5a]-3:C-3:H-1:	C-3:S-4:C-4:	C-3:	C(C[5a]C[5a]N[5a])(CCS)(H)	C(CC[5a]H)(SCOO)(CH3)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CCS)(H)	C(CC[5a]H)(SCOO)(CH3)	H(CC[5a]C)	116.2770	4.139	2	116.2770	17.135	2	116.2770	17.135	2	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CCHH)(CH3)	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CCHH)(CH3)	H(CC[6]C)	116.3560	0.000	1	116.3560	0.000	1	116.3950	0.036	3	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	116.4145	0.264	2	116.4145	0.070	2	116.3950	0.036	3	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CCHH)(CF3)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6a]H)(CCHH)(CF3)	H(CC[6a]C)	116.1950	0.000	1	116.1950	0.000	1	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC3)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC3)(CH3)	H(CC[6a]C)	114.0360	0.000	1	114.0360	0.000	1	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCF)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCF)(CCHH)	H(CC[6a]C)	115.8020	0.000	1	115.8020	0.000	1	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCH)(CC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCCH)(CC3)	H(CC[6a]C)	115.6470	0.000	1	115.6470	0.000	1	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(CC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(CC3)	H(CC[6a]C)	115.8055	0.090	2	115.8055	0.008	2	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)(CH3)	H(CC[6a]C)	115.0170	0.000	1	115.0170	0.000	1	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCHH)2	H(CC[6a]C)	116.4010	0.000	1	116.4010	0.000	1	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CFeHH)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CFeHH)(CH3)	H(CC[6a]C)	117.2220	0.680	2	117.2220	0.463	2	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CH3)2	H(CC[6a]C)	116.2400	0.000	1	116.2400	0.000	1	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(CH3)	H(CC[6a]C)	115.5370	0.000	1	115.5370	0.000	1	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHO)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CHHO)(CH3)	H(CC[6a]C)	116.1205	0.257	2	116.1205	0.066	2	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CRhCC)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CRhCC)(CCHH)	H(CC[6a]C)	113.8240	0.000	1	113.8240	0.000	1	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CRuCH)(CHHP)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CRuCH)(CHHP)	H(CC[6a]C)	113.7005	0.183	2	113.7005	0.034	2	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6a]C[6a]N[6a])(CCC)(H)	C(CC[6a]H)(CH3)2	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCC)(H)	C(CC[6a]H)(CH3)2	H(CC[6a]C)	114.8590	0.000	1	114.8590	0.000	1	115.5142	1.264	18	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:Ga-4:Si-4:	C-3:	C(C[6a]C[6a]2)(CGaSi)(H)	C(CC[6a]H)(GaCl2O)(SiC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGaSi)(H)	C(CC[6a]H)(GaCl2O)(SiC3)	H(CC[6a]C)	116.3583	0.720	3	116.3583	0.519	3	116.3583	0.519	3	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	C-3:Si-4:Si-4:	C-3:	C(C[6a]C[6a]2)(CSi2)(H)	C(CC[6a]H)(SiC3)2	H(CC[6a]C)	C(C[6a]C[6a]2)(CSi2)(H)	C(CC[6a]H)(SiC3)2	H(CC[6a]C)	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:4:4:	3:	N[6]-3:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(N[6]C[6]2)(CCC)(H)	C(CN[6]H)(CH3)2	H(CN[6]C)	C(N[6]C[6]2)(CCC)(H)	C(CN[6]H)(CH3)2	H(CN[6]C)	117.8850	0.000	1	117.8850	0.000	1	117.8850	0.000	1	115.9587	1.662	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:5:1:	3:	C[6a]-3:C-3:H-1:	C-3:B-5:H-1:	C-3:	C(C[6a]C[6a]2)(CBH)(H)	C(CC[6a]H)(BRu2CH)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBH)(H)	C(CC[6a]H)(BRu2CH)(H)	H(CC[6a]C)	116.3270	0.684	2	116.3270	0.469	2	116.3270	0.469	2	116.3270	0.469	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	3:6:3:	3:	C[6a]-3:C-3:H-1:	C-3:S-6:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(SF5)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C(CC[6a]H)(SF5)(COO)	H(CC[6a]C)	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:2:3:	3:	C-3:N-3:H-1:	C[6]-4:S-2:C-3:	C-3:	C(CC[6]S)(NHS)(H)	C(C[6]C[6]N[6]H)(SC[6a])(CHN)	H(CCN)	C(CC[6]S)(NHS)(H)	C(C[6]C[6]N[6]H)(SC[6a])(CHN)	H(CCN)	116.6960	0.000	1	116.6960	0.000	1	116.6960	0.000	1	114.2623	4.447	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:2:3:	3:	C-3:N-3:H-1:	S-4:S-2:C-3:	C-3:	C(CSS)(NCC)(H)	C(SC[6a]OO)(SC[6a])(CHN)	H(CCN)	C(CSS)(NCC)(H)	C(SC[6a]OO)(SC[6a])(CHN)	H(CCN)	113.0455	0.100	2	113.0455	0.010	2	113.0455	0.010	2	114.2623	4.447	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	B-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(BC[5]2)(CCH)(H)	C(CC3)(CBH)(H)	H(CBC)	C(BC[5]2)(CCH)(H)	C(CC3)(CBH)(H)	H(CBC)	116.9290	0.000	1	116.9290	0.000	1	117.3860	0.418	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	B-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(BOO)(CCH)(H)	C(CCHH)(CBH)(H)	H(CBC)	C(BOO)(CCH)(H)	C(CCHH)(CBH)(H)	H(CBC)	117.8430	0.000	1	117.8430	0.000	1	117.3860	0.418	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	B[5]-3:C-3:H-1:	C[3,6]-4:C-3:H-1:	C-3:	C(B[5]O[5]2)(CC[3,6]H)(H)	C(C[3,6]C[3,6]C[6]O[3])(CB[5]H)(H)	H(CB[5]C)	C(B[5]O[5]2)(CC[3,6]H)(H)	C(C[3,6]C[3,6]C[6]O[3])(CB[5]H)(H)	H(CB[5]C)	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	B-4:C-3:H-1:	C-3:	C(CBH)(CCC)(H)	C(BC[6a]2C[6])(CCH)(H)	H(CCC)	C(CBH)(CCC)(H)	C(BC[6a]2C[6])(CCH)(H)	H(CCC)	116.8020	0.000	1	116.8020	0.000	1	116.8020	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(CC[6a]O)(CClC)(H)	C(CHHN)(CCH)(Cl)	H(CCC)	C(CC[6a]O)(CClC)(H)	C(CHHN)(CCH)(Cl)	H(CCC)	115.8600	0.000	2	115.8600	0.000	2	117.4645	1.747	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(CClC)(CCH)(H)	C(CCCH)(CCH)(Cl)	H(CCC)	C(CClC)(CCH)(H)	C(CCCH)(CCH)(Cl)	H(CCC)	118.5615	0.040	2	118.5615	0.002	2	117.4645	1.747	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(CClC)(CCH)(H)	C(CC[6a]HH)(CCH)(Cl)	H(CCC)	C(CClC)(CCH)(H)	C(CC[6a]HH)(CCH)(Cl)	H(CCC)	116.8160	0.000	1	116.8160	0.000	1	117.4645	1.747	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(CClC)(COO)(H)	C(CCHH)(CCH)(Cl)	H(CCC)	C(CClC)(COO)(H)	C(CCHH)(CCH)(Cl)	H(CCC)	119.5010	0.000	1	119.5010	0.000	1	117.4645	1.747	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(CClC)(COO)(H)	C(CC[5]HH)(CCH)(Cl)	H(CCC)	C(CClC)(COO)(H)	C(CC[5]HH)(CCH)(Cl)	H(CCC)	117.2780	0.177	2	117.2780	0.031	2	117.4645	1.747	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	116.6094	1.167	5	116.6094	1.363	5	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	116.6543	0.445	4	116.6543	0.198	4	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	115.9951	0.377	8	115.9951	0.142	8	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CC[3]HH)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CC[3]HH)(CCH)(H)	H(CCC)	117.6180	0.000	1	117.6180	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CC[5a]HH)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CC[5a]HH)(CCH)(H)	H(CCC)	121.5430	0.000	1	121.5430	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	118.0285	2.200	2	118.0285	4.839	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCC)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	C(CCC)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	117.1068	0.441	4	117.1068	0.194	4	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CC3)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CC3)(CCH)(H)	H(CCC)	119.3369	0.686	7	119.3369	0.470	7	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCCH)(CCH)(H)	H(CCC)	117.7480	0.000	1	117.7480	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.5368	1.002	6	117.5368	1.005	6	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CCHO)(CCH)(H)	H(CCC)	115.1930	0.000	1	115.1930	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CC[5]CC)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CC[5]CC)(CCH)(H)	H(CCC)	121.2230	0.000	1	121.2230	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	118.0210	0.000	1	118.0210	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	121.4840	0.000	1	121.4840	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CCO)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCH)(CCO)(H)	C(CH3)(CCH)(H)	H(CCC)	118.0597	1.761	3	118.0597	3.099	3	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CCP)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCH)(CCP)(H)	C(CH3)(CCH)(H)	H(CCC)	115.8530	1.086	3	115.8530	1.180	3	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CCS)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	C(CCH)(CCS)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	114.2795	0.200	2	114.2795	0.040	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CHH)(H)	C(CLiCH)(CCH)(H)	H(CCC)	C(CCH)(CHH)(H)	C(CLiCH)(CCH)(H)	H(CCC)	115.5940	0.000	1	115.5940	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	117.9682	0.471	4	117.9682	0.222	4	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	118.3220	0.659	2	118.3220	0.434	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CF3)(CCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CF3)(CCH)(H)	H(CCC)	117.3710	0.000	1	117.3710	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(CH3)(CCH)(H)	H(CCC)	117.8667	1.874	3	117.8667	3.512	3	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CCH)(CNO)(H)	C(CCCH)(CCH)(H)	H(CCC)	118.9130	0.000	1	118.9130	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CCFH)(CCH)(H)	H(CCC)	C(CCH)(CNO)(H)	C(CCFH)(CCH)(H)	H(CCC)	119.4230	0.205	2	119.4230	0.042	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCH)(CNO)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.8045	2.068	2	117.8045	4.278	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CCHN)(CCH)(H)	H(CCC)	C(CCH)(CNO)(H)	C(CCHN)(CCH)(H)	H(CCC)	119.0286	0.475	12	119.0286	0.226	12	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CCH)(CNO)(H)	C(CCHO)(CCH)(H)	H(CCC)	116.7800	2.755	3	116.7800	7.589	3	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	C(CCH)(CNO)(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	121.2350	0.000	1	121.2350	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCH)(CNO)(H)	C(CH3)(CCH)(H)	H(CCC)	119.8314	0.576	8	119.8314	0.332	8	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(CNO)(H)	C(CN[5]CH)(CCH)(H)	H(CCC)	C(CCH)(CNO)(H)	C(CN[5]CH)(CCH)(H)	H(CCC)	118.9860	0.000	1	118.9860	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC3)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC3)(CCH)(H)	H(CCC)	118.6917	0.896	4	118.6917	0.803	4	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CCCH)(CCH)(H)	H(CCC)	119.5900	0.000	1	119.5900	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CCCN)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CCCN)(CCH)(H)	H(CCC)	118.7093	0.584	3	118.7093	0.341	3	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CCCO)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CCCO)(CCH)(H)	H(CCC)	117.6270	0.000	1	117.6270	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CCHH)(CCH)(H)	H(CCC)	119.1168	2.185	21	119.1168	4.773	21	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CCHN)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CCHN)(CCH)(H)	H(CCC)	118.5109	1.051	8	118.5109	1.105	8	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CCHO)(CCH)(H)	H(CCC)	118.8462	0.960	12	118.8462	0.922	12	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[3]HO)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[3]HO)(CCH)(H)	H(CCC)	118.8260	0.000	1	118.8260	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[5,6,6]HH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[5,6,6]HH)(CCH)(H)	H(CCC)	119.2122	1.347	4	119.2122	1.814	4	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	119.5631	1.573	7	119.5631	2.474	7	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	118.2108	2.189	8	118.2108	4.793	8	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[5a]CH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[5a]CH)(CCH)(H)	H(CCC)	117.5050	0.000	1	117.5050	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[6,6]HH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[6,6]HH)(CCH)(H)	H(CCC)	119.2903	0.345	4	119.2903	0.119	4	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[6]CH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[6]CH)(CCH)(H)	H(CCC)	116.7910	0.000	1	116.7910	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	119.5370	0.000	1	119.5370	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	118.4733	0.786	3	118.4733	0.617	3	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CC[6a]HO)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CC[6a]HO)(CCH)(H)	H(CCC)	119.3820	0.000	1	119.3820	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CClCH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CClCH)(CCH)(H)	H(CCC)	118.0785	1.576	2	118.0785	2.484	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CF3)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CF3)(CCH)(H)	H(CCC)	123.6490	0.905	2	123.6490	0.819	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CH3)(CCH)(H)	H(CCC)	117.7633	0.500	7	117.7633	0.250	7	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CHHO)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CHHO)(CCH)(H)	H(CCC)	120.0760	0.937	3	120.0760	0.878	3	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(COO)(H)	C(CN[5]CH)(CCH)(H)	H(CCC)	C(CCH)(COO)(H)	C(CN[5]CH)(CCH)(H)	H(CCC)	120.3250	0.000	1	120.3250	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC3)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC3)(CCH)(H)	H(CCC)	114.3475	0.456	2	114.3475	0.208	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CCCH)(CCH)(H)	H(CCC)	117.6965	1.308	34	117.6965	1.711	34	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCCO)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CCCO)(CCH)(H)	H(CCC)	118.3620	0.000	1	118.3620	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CCHH)(CCH)(H)	H(CCC)	117.3165	1.288	25	117.3165	1.660	25	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCHN)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CCHN)(CCH)(H)	H(CCC)	117.4370	1.392	2	117.4370	1.937	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CCHO)(CCH)(H)	H(CCC)	116.9004	1.364	9	116.9004	1.862	9	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CCOW)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CCOW)(CCH)(H)	H(CCC)	115.1782	0.136	4	115.1782	0.018	4	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[4]HH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[4]HH)(CCH)(H)	H(CCC)	120.3255	3.340	2	120.3255	11.153	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	115.7260	0.000	1	115.7260	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	117.6162	0.821	11	117.6162	0.673	11	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	113.4410	0.000	1	113.4410	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[5x3,5x5,20x6]CH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[5x3,5x5,20x6]CH)(CCH)(H)	H(CCC)	118.7000	0.461	2	118.7000	0.213	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6]CH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6]CH)(CCH)(H)	H(CCC)	117.1660	0.808	6	117.1660	0.652	6	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	119.3965	1.394	2	119.3965	1.942	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	116.1140	0.000	1	116.1140	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	118.1610	0.000	1	118.1610	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CC[6a]MoC)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CC[6a]MoC)(CCH)(H)	H(CCC)	115.7820	0.000	1	115.7820	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CFHH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CFHH)(CCH)(H)	H(CCC)	118.7270	0.000	1	118.7270	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CFeCH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CFeCH)(CCH)(H)	H(CCC)	114.4040	0.325	10	114.4040	0.105	10	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CGaCH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CGaCH)(CCH)(H)	H(CCC)	120.7240	0.000	1	120.7240	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CH3)(CCH)(H)	H(CCC)	117.7277	1.757	29	117.7277	3.088	29	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CHHN)(CCH)(H)	H(CCC)	115.6363	0.530	4	115.6363	0.281	4	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CHHO)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CHHO)(CCH)(H)	H(CCC)	115.5640	3.265	2	115.5640	10.663	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CHHP)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CHHP)(CCH)(H)	H(CCC)	118.0610	0.379	2	118.0610	0.144	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CMoCH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CMoCH)(CCH)(H)	H(CCC)	116.2910	0.000	1	116.2910	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	115.6840	0.000	1	115.6840	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CPdCH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CPdCH)(CCH)(H)	H(CCC)	115.9899	0.219	9	115.9899	0.048	9	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)2(H)	C(CRuCH)(CCH)(H)	H(CCC)	C(CCH)2(H)	C(CRuCH)(CCH)(H)	H(CCC)	115.2133	4.411	6	115.2133	19.456	6	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5,6]O)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[5,6]O)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	119.1490	0.322	2	119.1490	0.104	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5,6]O)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CC[5,6]O)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	118.8110	0.129	2	118.8110	0.017	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	119.3330	0.000	1	119.3330	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]O)(CCH)(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	C(CC[5]O)(CCH)(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	117.7120	0.000	1	117.7120	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]O)(CCH)(H)	C(CC[6a]CC)(CCH)(H)	H(CCC)	C(CC[5]O)(CCH)(H)	C(CC[6a]CC)(CCH)(H)	H(CCC)	117.1450	0.000	1	117.1450	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]C)(CCH)(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	C(CC[6]C)(CCH)(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	119.1060	0.000	1	119.1060	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	116.6480	0.593	2	116.6480	0.351	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]C)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC[6a]C)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	122.8990	0.000	1	122.8990	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]N)(CCH)(H)	C(CF3)(CCH)(H)	H(CCC)	C(CC[6a]N)(CCH)(H)	C(CF3)(CCH)(H)	H(CCC)	118.0010	0.000	1	118.0010	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	119.2980	0.000	1	119.2980	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	118.9150	0.000	1	118.9150	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	117.7440	0.000	1	117.7440	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	118.6290	0.678	4	118.6290	0.460	4	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CC[6a]HO)(CCH)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CC[6a]HO)(CCH)(H)	H(CCC)	119.0605	0.100	2	119.0605	0.010	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CCl3)(CCH)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CCl3)(CCH)(H)	H(CCC)	119.0720	0.000	1	119.0720	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]O)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC[6a]O)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	118.1175	0.832	2	118.1175	0.693	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CIrO)(CCH)(H)	C(CIrHH)(CCH)(H)	H(CCC)	C(CIrO)(CCH)(H)	C(CIrHH)(CCH)(H)	H(CCC)	123.4500	0.000	1	123.4500	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[5]O)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CN[5]O)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	120.7018	0.952	4	120.7018	0.907	4	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[5]O)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CN[5]O)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	119.8030	0.697	2	119.8030	0.486	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[5a]O)(CCH)(H)	C(CBrCH)(CCH)(H)	H(CCC)	C(CN[5a]O)(CCH)(H)	C(CBrCH)(CCH)(H)	H(CCC)	120.4840	0.887	2	120.4840	0.786	2	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[5a]O)(CCH)(H)	C(CCFH)(CCH)(H)	H(CCC)	C(CN[5a]O)(CCH)(H)	C(CCFH)(CCH)(H)	H(CCC)	118.2570	0.000	1	118.2570	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[5a]O)(CCH)(H)	C(CC[5a]C[6a]H)(CCH)(H)	H(CCC)	C(CN[5a]O)(CCH)(H)	C(CC[5a]C[6a]H)(CCH)(H)	H(CCC)	119.2203	1.243	3	119.2203	1.545	3	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[5a]O)(CCH)(H)	C(CClCH)(CCH)(H)	H(CCC)	C(CN[5a]O)(CCH)(H)	C(CClCH)(CCH)(H)	H(CCC)	119.6050	0.000	1	119.6050	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[6]O)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CN[6]O)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	119.1590	0.000	1	119.1590	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CRuH)(CCH)(H)	C(CC[6a]2C)(CCH)(H)	H(CCC)	C(CRuH)(CCH)(H)	C(CC[6a]2C)(CCH)(H)	H(CCC)	118.1570	0.000	1	118.1570	0.000	1	117.9243	3.759	399	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:I-1:	C-3:	C(CCI)(COO)(H)	C(CH3)(CCH)(I)	H(CCC)	C(CCI)(COO)(H)	C(CH3)(CCH)(I)	H(CCC)	115.4300	0.000	1	115.4300	0.000	1	115.4300	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CBrC)(CCO)(H)	C(CC[5]HH)(CCH)(O)	H(CCC)	C(CBrC)(CCO)(H)	C(CC[5]HH)(CCH)(O)	H(CCC)	117.1580	0.000	1	117.1580	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCC)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CCC)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	112.7240	4.777	2	112.7240	22.822	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCC)(CCO)(H)	C(CC[4]HH)(CCH)(O)	H(CCC)	C(CCC)(CCO)(H)	C(CC[4]HH)(CCH)(O)	H(CCC)	116.0730	0.000	1	116.0730	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCC)(CCO)(H)	C(CC[5]HH)(CCH)(O)	H(CCC)	C(CCC)(CCO)(H)	C(CC[5]HH)(CCH)(O)	H(CCC)	116.1997	0.682	4	116.1997	0.466	4	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCC)(CCO)(H)	C(CC[6]HH)(CCH)(O)	H(CCC)	C(CCC)(CCO)(H)	C(CC[6]HH)(CCH)(O)	H(CCC)	115.2600	0.000	1	115.2600	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCC)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CCC)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	116.3710	0.000	1	116.3710	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CC3)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CC3)(CCH)(O)	H(CCC)	119.8080	0.000	1	119.8080	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CCCH)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CCCH)(CCH)(O)	H(CCC)	118.7420	2.669	6	118.7420	7.125	6	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	118.0945	1.130	8	118.0945	1.278	8	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CCHO)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CCHO)(CCH)(O)	H(CCC)	118.1855	2.051	2	118.1855	4.208	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CF3)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CF3)(CCH)(O)	H(CCC)	119.4253	0.290	3	119.4253	0.084	3	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	118.1360	1.198	4	118.1360	1.434	4	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CHHN)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CHHN)(CCH)(O)	H(CCC)	117.1697	0.371	4	117.1697	0.138	4	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCH)(CCO)(H)	C(CHHO)(CCH)(O)	H(CCC)	C(CCH)(CCO)(H)	C(CHHO)(CCH)(O)	H(CCC)	115.1180	0.000	1	115.1180	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCN)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CCN)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	117.8790	0.000	1	117.8790	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCN)(CCO)(H)	C(CCHN)(CCH)(O)	H(CCC)	C(CCN)(CCO)(H)	C(CCHN)(CCH)(O)	H(CCC)	117.5450	0.000	1	117.5450	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCN)(CCO)(H)	C(CCl3)(CCH)(O)	H(CCC)	C(CCN)(CCO)(H)	C(CCl3)(CCH)(O)	H(CCC)	118.9600	0.000	1	118.9600	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCN)(CCO)(H)	C(CF3)(CCH)(O)	H(CCC)	C(CCN)(CCO)(H)	C(CF3)(CCH)(O)	H(CCC)	117.3960	1.212	2	117.3960	1.469	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	117.9382	0.779	55	117.9382	0.608	55	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(CHI)(H)	C(CC[5]HH)(CCH)(O)	H(CCC)	C(CCO)(CHI)(H)	C(CC[5]HH)(CCH)(O)	H(CCC)	116.8860	0.000	1	116.8860	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(CHN)(H)	C(CCFF)(CCH)(O)	H(CCC)	C(CCO)(CHN)(H)	C(CCFF)(CCH)(O)	H(CCC)	119.3230	0.000	1	119.3230	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(CHN)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CCO)(CHN)(H)	C(CCHH)(CCH)(O)	H(CCC)	120.1500	0.000	1	120.1500	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(CHN)(H)	C(CCl3)(CCH)(O)	H(CCC)	C(CCO)(CHN)(H)	C(CCl3)(CCH)(O)	H(CCC)	124.3550	0.000	1	124.3550	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(CHN)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CCO)(CHN)(H)	C(CH3)(CCH)(O)	H(CCC)	118.4145	0.049	2	118.4145	0.002	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(CHO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CCO)(CHO)(H)	C(CCHH)(CCH)(O)	H(CCC)	117.5320	0.000	1	117.5320	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(CHO)(H)	C(CC[5]HH)(CCH)(O)	H(CCC)	C(CCO)(CHO)(H)	C(CC[5]HH)(CCH)(O)	H(CCC)	125.0840	0.000	1	125.0840	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(CHO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CCO)(CHO)(H)	C(CH3)(CCH)(O)	H(CCC)	118.7750	0.985	4	118.7750	0.970	4	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(CNN)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CCO)(CNN)(H)	C(CH3)(CCH)(O)	H(CCC)	118.3610	0.000	1	118.3610	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)(CSS)(H)	C(CCOO)(CCH)(O)	H(CCC)	C(CCO)(CSS)(H)	C(CCOO)(CCH)(O)	H(CCC)	118.5440	0.000	1	118.5440	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)2(H)	C(CCHO)(CCH)(O)	H(CCC)	C(CCO)2(H)	C(CCHO)(CCH)(O)	H(CCC)	111.3330	0.000	1	111.3330	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)2(H)	C(CC[6a]HH)(CCH)(O)	H(CCC)	C(CCO)2(H)	C(CC[6a]HH)(CCH)(O)	H(CCC)	119.2300	0.000	1	119.2300	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(O)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(O)	H(CCC)	118.7772	0.509	8	118.7772	0.259	8	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(O)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(O)	H(CCC)	116.6544	1.463	21	116.6544	2.142	21	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CCO)2(H)	C(CHHO)(CCH)(O)	H(CCC)	C(CCO)2(H)	C(CHHO)(CCH)(O)	H(CCC)	112.8900	0.000	1	112.8900	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[3]H)(CCO)(H)	C(CC[6a]HH)(CCH)(O)	H(CCC)	C(CC[3]H)(CCO)(H)	C(CC[6a]HH)(CCH)(O)	H(CCC)	119.5270	0.000	1	119.5270	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[4]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CC[4]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	117.1460	0.000	1	117.1460	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[5,6]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CC[5,6]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	120.2230	0.000	1	120.2230	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[5]H)(CCO)(H)	C(CCCH)(CCH)(O)	H(CCC)	C(CC[5]H)(CCO)(H)	C(CCCH)(CCH)(O)	H(CCC)	116.9630	0.000	1	116.9630	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[5]H)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CC[5]H)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	119.1720	0.000	1	119.1720	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[5]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CC[5]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	114.6550	3.663	2	114.6550	13.416	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[5a]C[6a])(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CC[5a]C[6a])(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	114.5680	0.000	1	114.5680	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[5a]H)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CC[5a]H)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	118.3530	0.430	2	118.3530	0.185	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[5a]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CC[5a]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	116.0710	2.086	2	116.0710	4.351	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[5a]S)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CC[5a]S)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	115.4130	0.000	1	115.4130	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6,6]H)(CCO)(H)	C(CCCH)(CCH)(O)	H(CCC)	C(CC[6,6]H)(CCO)(H)	C(CCCH)(CCH)(O)	H(CCC)	118.6600	0.269	2	118.6600	0.072	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6]C)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CC[6]C)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	116.9150	0.000	1	116.9150	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6]C)(CCO)(H)	C(CC[5]HH)(CCH)(O)	H(CCC)	C(CC[6]C)(CCO)(H)	C(CC[5]HH)(CCH)(O)	H(CCC)	115.7050	0.000	1	115.7050	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6]Cl)(CCO)(H)	C(CC[6a]2H)(CCH)(O)	H(CCC)	C(CC[6]Cl)(CCO)(H)	C(CC[6a]2H)(CCH)(O)	H(CCC)	115.5420	0.000	1	115.5420	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6]H)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CC[6]H)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	119.5910	0.000	1	119.5910	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CC[6]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	118.0484	0.526	5	118.0484	0.277	5	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6]H)(CCO)(H)	C(CHHO)(CCH)(O)	H(CCC)	C(CC[6]H)(CCO)(H)	C(CHHO)(CCH)(O)	H(CCC)	114.7430	0.000	1	114.7430	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]C)(CCO)(H)	C(CC3)(CCH)(O)	H(CCC)	C(CC[6a]C)(CCO)(H)	C(CC3)(CCH)(O)	H(CCC)	111.3850	0.000	1	111.3850	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]C)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CC[6a]C)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	116.1225	0.016	2	116.1225	0.000	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]Cl)(CCO)(H)	C(CClHH)(CCH)(O)	H(CCC)	C(CC[6a]Cl)(CCO)(H)	C(CClHH)(CCH)(O)	H(CCC)	116.8460	0.000	1	116.8460	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CC3)(CCH)(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CC3)(CCH)(O)	H(CCC)	117.9090	2.172	2	117.9090	4.719	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	116.8527	0.828	7	116.8527	0.686	7	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CC[6]CH)(CCH)(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CC[6]CH)(CCH)(O)	H(CCC)	117.5040	0.000	1	117.5040	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CC[6]HH)(CCH)(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CC[6]HH)(CCH)(O)	H(CCC)	114.6785	1.504	2	114.6785	2.262	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	117.5337	1.443	21	117.5337	2.082	21	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CN[5]HH)(CCH)(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CN[5]HH)(CCH)(O)	H(CCC)	119.3960	0.000	1	119.3960	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]H)(CCO)(H)	C(CPdCH)(CCH)(O)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CPdCH)(CCH)(O)	H(CCC)	119.5507	0.595	6	119.5507	0.353	6	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]N)(CCO)(H)	C(CCl2H)(CCH)(O)	H(CCC)	C(CC[6a]N)(CCO)(H)	C(CCl2H)(CCH)(O)	H(CCC)	113.8730	0.000	1	113.8730	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]N)(CCO)(H)	C(CF3)(CCH)(O)	H(CCC)	C(CC[6a]N)(CCO)(H)	C(CF3)(CCH)(O)	H(CCC)	118.8300	0.000	1	118.8300	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]N)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CC[6a]N)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	117.1390	0.000	1	117.1390	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(O)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(O)	H(CCC)	119.8957	0.207	3	119.8957	0.043	3	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]O)(CCO)(H)	C(CCFF)(CCH)(O)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CCFF)(CCH)(O)	H(CCC)	119.6650	0.173	2	119.6650	0.030	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]O)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CCHH)(CCH)(O)	H(CCC)	115.8230	3.097	2	115.8230	9.592	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(O)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(O)	H(CCC)	118.2370	0.000	1	118.2370	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	119.3682	0.531	6	119.3682	0.282	6	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CC[6a]S)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CC[6a]S)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	116.5165	0.026	2	116.5165	0.001	2	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CN[5]C)(CCO)(H)	C(CF3)(CCH)(O)	H(CCC)	C(CN[5]C)(CCO)(H)	C(CF3)(CCH)(O)	H(CCC)	116.7830	0.000	1	116.7830	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CN[5a]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CN[5a]H)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	117.7840	0.000	1	117.7840	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(CP[5]Os)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	C(CP[5]Os)(CCO)(H)	C(CH3)(CCH)(O)	H(CCC)	110.8250	0.000	1	110.8250	0.000	1	117.6487	3.592	236	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(CCH)(H)	C(C[3]C[3]P[3]H)(CCH)(H)	H(CCC)	C(CC[3]H)(CCH)(H)	C(C[3]C[3]P[3]H)(CCH)(H)	H(CCC)	115.2435	0.025	2	115.2435	0.001	2	118.2138	4.023	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(CCO)(H)	C(C[3]C[3]O[3]H)(CCH)(H)	H(CCC)	C(CC[3]H)(CCO)(H)	C(C[3]C[3]O[3]H)(CCH)(H)	H(CCC)	119.5180	0.000	1	119.5180	0.000	1	118.2138	4.023	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(CC[5]O)(H)	C(C[3]C[3,5]2H)(CCH)(H)	H(CCC)	C(CC[3]H)(CC[5]O)(H)	C(C[3]C[3,5]2H)(CCH)(H)	H(CCC)	118.7900	0.000	1	118.7900	0.000	1	118.2138	4.023	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(COO)(H)	C(C[3]C[3]2H)(CCH)(H)	H(CCC)	C(CC[3]H)(COO)(H)	C(C[3]C[3]2H)(CCH)(H)	H(CCC)	118.8353	1.119	3	118.8353	1.251	3	118.2138	4.023	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(COO)(H)	C(C[3]C[3]N[3]H)(CCH)(H)	H(CCC)	C(CC[3]H)(COO)(H)	C(C[3]C[3]N[3]H)(CCH)(H)	H(CCC)	120.4090	0.000	1	120.4090	0.000	1	118.2138	4.023	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3]-4:C-3:O-1:	C-3:	C(CC[5a]C[6a])(CC[3]O)(H)	C(C[3]C[3]O[3]C)(CCH)(O)	H(CCC)	C(CC[5a]C[6a])(CC[3]O)(H)	C(C[3]C[3]O[3]C)(CCH)(O)	H(CCC)	114.5220	0.000	1	114.5220	0.000	1	117.0270	7.876	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3]-4:C-3:O-1:	C-3:	C(CC[6a]N)(CC[3]O)(H)	C(C[3]C[3]2H)(CCH)(O)	H(CCC)	C(CC[6a]N)(CC[3]O)(H)	C(C[3]C[3]2H)(CCH)(O)	H(CCC)	116.4990	0.000	1	116.4990	0.000	1	117.0270	7.876	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3]-4:C-3:O-1:	C-3:	C(CC[6a]O)(CC[3]O)(H)	C(C[3]C[3]2C)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[3]O)(H)	C(C[3]C[3]2C)(CCH)(O)	H(CCC)	120.0600	0.000	1	120.0600	0.000	1	117.0270	7.876	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3x6]-4:C-3:O-1:	C-3:	C(CC[3x6]O)(CC[6a]H)(H)	C(C[3x6]C[6,6]3)(CCH)(O)	H(CCC)	C(CC[3x6]O)(CC[6a]H)(H)	C(C[3x6]C[6,6]3)(CCH)(O)	H(CCC)	120.5370	0.000	1	120.5370	0.000	1	120.5370	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[4,5x6]-4:C-3:H-1:	C-3:	C(CC[4,5x6]H)(COO)(H)	C(C[4,5x6]C[4,4,3x6]C[4,3x6]C[6x6])(CCH)(H)	H(CCC)	C(CC[4,5x6]H)(COO)(H)	C(C[4,5x6]C[4,4,3x6]C[4,3x6]C[6x6])(CCH)(H)	H(CCC)	118.1370	1.386	2	118.1370	1.921	2	118.1370	1.921	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[4]-4:C-3:H-1:	C-3:	C(CC[4]H)(CCH)(H)	C(C[4]C[4]2H)(CCH)(H)	H(CCC)	C(CC[4]H)(CCH)(H)	C(C[4]C[4]2H)(CCH)(H)	H(CCC)	115.9187	1.069	10	115.9187	1.142	10	116.3208	2.085	12	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[4]-4:C-3:H-1:	C-3:	C(CC[4]H)(CCO)(H)	C(C[4]C[4]2H)(CCH)(H)	H(CCC)	C(CC[4]H)(CCO)(H)	C(C[4]C[4]2H)(CCH)(H)	H(CCC)	117.1160	0.000	1	117.1160	0.000	1	116.3208	2.085	12	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[4]-4:C-3:H-1:	C-3:	C(CC[4]H)(COO)(H)	C(C[4]C[4]N[4]H)(CCH)(H)	H(CCC)	C(CC[4]H)(COO)(H)	C(C[4]C[4]N[4]H)(CCH)(H)	H(CCC)	119.5470	0.000	1	119.5470	0.000	1	116.3208	2.085	12	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[4]-4:C-3:O-1:	C-3:	C(CC[6a]H)(CC[4]O)(H)	C(C[4]C[4]2H)(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[4]O)(H)	C(C[4]C[4]2H)(CCH)(O)	H(CCC)	119.4045	0.906	2	119.4045	0.820	2	119.4045	0.820	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5,5,6]-4:C-3:H-1:	C-3:	C(CC[5,5,6]H)(CCH)(H)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	H(CCC)	C(CC[5,5,6]H)(CCH)(H)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	H(CCC)	117.7280	0.000	1	117.7280	0.000	1	117.7280	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(CCH)(H)	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCH)(H)	H(CCC)	C(CC[5,6]H)(CCH)(H)	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCH)(H)	H(CCC)	115.2975	0.213	2	115.2975	0.045	2	116.6166	4.330	5	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(CCH)(H)	C(C[5,6]C[5,5,6]C[5,6]C)(CCH)(H)	H(CCC)	C(CC[5,6]H)(CCH)(H)	C(C[5,6]C[5,5,6]C[5,6]C)(CCH)(H)	H(CCC)	116.2380	0.000	1	116.2380	0.000	1	116.6166	4.330	5	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(CCO)(H)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	H(CCC)	C(CC[5,6]H)(CCO)(H)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	H(CCC)	120.2580	0.000	1	120.2580	0.000	1	116.6166	4.330	5	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(COO)(H)	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	H(CCC)	C(CC[5,6]H)(COO)(H)	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	H(CCC)	115.9920	0.000	1	115.9920	0.000	1	116.6166	4.330	5	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5,6]-4:C-3:O-1:	C-3:	C(CC[5,6]O)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	H(CCC)	C(CC[5,6]O)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	H(CCC)	119.1676	0.514	5	119.1676	0.264	5	119.1242	0.222	6	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5,6]-4:C-3:O-1:	C-3:	C(CC[5,6]O)(CC[6a]H)(H)	C(C[5,6]C[5,5,6]2H)(CCH)(O)	H(CCC)	C(CC[5,6]O)(CC[6a]H)(H)	C(C[5,6]C[5,5,6]2H)(CCH)(O)	H(CCC)	118.9070	0.000	1	118.9070	0.000	1	119.1242	0.222	6	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:Cl-1:	C-3:	C(CC[5]Cl)(CHO)(H)	C(C[5]C[5]2Fe)(CCH)(Cl)	H(CCC)	C(CC[5]Cl)(CHO)(H)	C(C[5]C[5]2Fe)(CCH)(Cl)	H(CCC)	116.6290	0.175	2	116.6290	0.031	2	116.6290	0.031	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CBrC)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CBrC)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	H(CCC)	116.7230	0.000	1	116.7230	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCC)(H)	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	H(CCC)	C(CC[5]H)(CCC)(H)	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	H(CCC)	117.1640	0.000	1	117.1640	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	H(CCC)	117.1763	0.113	3	117.1763	0.013	3	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[5]N)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[5]N)(CCH)(H)	H(CCC)	117.6670	0.000	1	117.6670	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	H(CCC)	114.3100	0.000	1	114.3100	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2C)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2C)(CCH)(H)	H(CCC)	114.6200	0.488	2	114.6200	0.238	2	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	118.7806	1.172	5	118.7806	1.375	5	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	116.7683	0.973	26	116.7683	0.947	26	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Ru)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Ru)(CCH)(H)	H(CCC)	118.3100	1.171	2	118.3100	1.371	2	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Si)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Si)(CCH)(H)	H(CCC)	114.9520	0.000	1	114.9520	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	H(CCC)	118.3235	0.896	2	118.3235	0.803	2	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	H(CCC)	118.5970	0.000	1	118.5970	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]P[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]P[5]H)(CCH)(H)	H(CCC)	116.6640	3.396	2	116.6640	11.530	2	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	H(CCC)	118.2660	0.000	1	118.2660	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCH)(H)	C(C[5]N[5]O[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCH)(H)	C(C[5]N[5]O[5]H)(CCH)(H)	H(CCC)	116.8250	0.000	1	116.8250	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCO)(H)	C(C[5]C[5,6a]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CCO)(H)	C(C[5]C[5,6a]C[5]2)(CCH)(H)	H(CCC)	116.9580	0.000	1	116.9580	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCO)(H)	C(C[5]C[5,6a]C[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCO)(H)	C(C[5]C[5,6a]C[5]H)(CCH)(H)	H(CCC)	117.3210	0.000	1	117.3210	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCO)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCO)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	116.8700	0.000	1	116.8700	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCO)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	H(CCC)	C(CC[5]H)(CCO)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	H(CCC)	118.9180	0.000	1	118.9180	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CC[6]O)(H)	C(C[5]C[5,6]C[5]C)(CCH)(H)	H(CCC)	C(CC[5]H)(CC[6]O)(H)	C(C[5]C[5,6]C[5]C)(CCH)(H)	H(CCC)	113.2290	0.000	1	113.2290	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2C)(CCH)(H)	H(CCC)	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2C)(CCH)(H)	H(CCC)	117.7650	0.000	1	117.7650	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	118.8870	0.000	1	118.8870	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CHO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	C(CC[5]H)(CHO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	119.5865	0.330	4	119.5865	0.109	4	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CNN)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CNN)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	H(CCC)	117.3020	0.000	1	117.3020	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CNO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	C(CC[5]H)(CNO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	120.2730	0.000	1	120.2730	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(COO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(COO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(H)	H(CCC)	119.4437	0.421	3	119.4437	0.177	3	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(COO)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(COO)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	H(CCC)	118.4900	0.000	1	118.4900	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(COO)(H)	C(C[5]C[5,6a]C[5,6]H)(CCH)(H)	H(CCC)	C(CC[5]H)(COO)(H)	C(C[5]C[5,6a]C[5,6]H)(CCH)(H)	H(CCC)	118.9785	0.695	2	118.9785	0.483	2	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(COO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	C(CC[5]H)(COO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	119.0605	0.695	2	119.0605	0.483	2	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(COO)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	C(CC[5]H)(COO)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	118.6222	0.958	4	118.6222	0.918	4	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	H(CCC)	119.7239	1.707	7	119.7239	2.914	7	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(COO)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(COO)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	H(CCC)	119.5170	2.142	4	119.5170	4.588	4	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)2(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	C(CC[5]H)2(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	120.0373	3.550	4	120.0373	12.605	4	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)2(H)	C(C[5]C[5]2O)(CCH)(H)	H(CCC)	C(CC[5]H)2(H)	C(C[5]C[5]2O)(CCH)(H)	H(CCC)	114.3070	0.000	1	114.3070	0.000	1	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[6a]O)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	C(CC[6a]O)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	119.6176	0.813	9	119.6176	0.660	9	118.0215	3.630	100	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[3]H)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(O)	H(CCC)	C(CC[3]H)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(O)	H(CCC)	115.3050	0.000	1	115.3050	0.000	1	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)(CCC)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	H(CCC)	C(CC[5]O)(CCC)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	H(CCC)	116.8940	0.000	1	116.8940	0.000	1	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6a]C[5]N)(CCH)(O)	H(CCC)	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6a]C[5]N)(CCH)(O)	H(CCC)	120.3550	0.000	1	120.3550	0.000	1	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2C)(CCH)(O)	H(CCC)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2C)(CCH)(O)	H(CCC)	114.7840	0.000	1	114.7840	0.000	1	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	118.6165	1.204	2	118.6165	1.450	2	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	118.0327	0.489	11	118.0327	0.240	11	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)(CC[6]H)(H)	C(C[5]C[5,6]O[5]H)(CCH)(O)	H(CCC)	C(CC[5]O)(CC[6]H)(H)	C(C[5]C[5,6]O[5]H)(CCH)(O)	H(CCC)	114.8425	0.238	4	114.8425	0.057	4	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)(CHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(O)	H(CCC)	C(CC[5]O)(CHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(O)	H(CCC)	117.0470	0.000	1	117.0470	0.000	1	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)(CHS)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	C(CC[5]O)(CHS)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	118.4995	0.796	6	118.4995	0.634	6	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)(CSS)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	H(CCC)	C(CC[5]O)(CSS)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	H(CCC)	117.6526	0.336	5	117.6526	0.113	5	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)(CSS)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	C(CC[5]O)(CSS)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	116.8735	1.415	4	116.8735	2.002	4	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5]O)2(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	H(CCC)	C(CC[5]O)2(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	H(CCC)	119.8400	0.000	1	119.8400	0.000	1	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5a]H)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	H(CCC)	C(CC[5a]H)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	H(CCC)	117.0920	0.000	1	117.0920	0.000	1	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[5a]H)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	C(CC[5a]H)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	119.8670	0.000	1	119.8670	0.000	1	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	H(CCC)	117.2620	2.689	3	117.2620	7.232	3	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	119.1708	0.329	5	119.1708	0.108	5	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(O)	H(CCC)	116.5580	0.000	1	116.5580	0.000	1	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[6a]N)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	C(CC[6a]N)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	118.0850	0.000	1	118.0850	0.000	1	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[6a]O)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(O)	H(CCC)	119.2963	0.975	6	119.2963	0.950	6	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(CC[6a]O)(CC[5]O)(H)	C(C[5]C[5]O[5]H)(CCH)(O)	H(CCC)	C(CC[6a]O)(CC[5]O)(H)	C(C[5]C[5]O[5]H)(CCH)(O)	H(CCC)	119.7565	0.445	2	119.7565	0.198	2	117.9392	2.472	58	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[5,6,6]2H)(CCH)(H)	H(CCC)	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[5,6,6]2H)(CCH)(H)	H(CCC)	115.2140	0.218	2	115.2140	0.047	2	117.2146	4.568	9	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	H(CCC)	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	H(CCC)	116.3080	0.000	1	116.3080	0.000	1	117.2146	4.568	9	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	H(CCC)	121.5040	0.000	1	121.5040	0.000	1	117.2146	4.568	9	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(CCN)(H)	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	H(CCC)	C(CC[6,6]H)(CCN)(H)	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	H(CCC)	115.8695	1.179	2	115.8695	1.389	2	117.2146	4.568	9	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(CCO)(H)	C(C[6,6]C[5,3x6]C[6,6]H)(CCH)(H)	H(CCC)	C(CC[6,6]H)(CCO)(H)	C(C[6,6]C[5,3x6]C[6,6]H)(CCH)(H)	H(CCC)	118.6340	0.127	2	118.6340	0.016	2	117.2146	4.568	9	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(CC[6a]O)(H)	C(C[6,6]C[3x6]2H)(CCH)(H)	H(CCC)	C(CC[6,6]H)(CC[6a]O)(H)	C(C[6,6]C[3x6]2H)(CCH)(H)	H(CCC)	117.6840	0.000	1	117.6840	0.000	1	117.2146	4.568	9	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:Cl-1:	C-3:	C(CC[6]Cl)(CCO)(H)	C(C[6]C[6]2H)(CCH)(Cl)	H(CCC)	C(CC[6]Cl)(CCO)(H)	C(C[6]C[6]2H)(CCH)(Cl)	H(CCC)	115.4340	0.000	1	115.4340	0.000	1	115.4340	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[5]O)(CC[6]H)(H)	C(C[6]C[5,6]C[6]C)(CCH)(H)	H(CCC)	C(CC[5]O)(CC[6]H)(H)	C(C[6]C[5,6]C[6]C)(CCH)(H)	H(CCC)	114.9048	0.272	4	114.9048	0.074	4	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(H)	H(CCC)	C(CC[6]H)(CCC)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(H)	H(CCC)	117.3070	0.000	1	117.3070	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2C)(CCH)(H)	H(CCC)	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2C)(CCH)(H)	H(CCC)	116.5850	0.000	1	116.5850	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	116.4090	0.099	2	116.4090	0.010	2	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	H(CCC)	114.9220	0.000	1	114.9220	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	H(CCC)	117.3217	0.496	3	117.3217	0.246	3	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]N[6]C)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]N[6]C)(CCH)(H)	H(CCC)	118.2010	0.000	1	118.2010	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2C)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2C)(CCH)(H)	H(CCC)	117.0750	0.000	1	117.0750	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2Cl)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2Cl)(CCH)(H)	H(CCC)	114.6280	0.000	1	114.6280	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	116.3926	1.504	19	116.3926	2.262	19	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	H(CCC)	117.9310	0.000	1	117.9310	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	H(CCC)	117.5420	0.000	1	117.5420	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]C[6a]C[6]2)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]C[6a]C[6]2)(CCH)(H)	H(CCC)	117.2300	0.000	1	117.2300	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCH)(H)	C(C[6]N[6]2C)(CCH)(H)	H(CCC)	C(CC[6]H)(CCH)(H)	C(C[6]N[6]2C)(CCH)(H)	H(CCC)	114.6930	0.117	2	114.6930	0.014	2	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCO)(H)	C(C[6]C[5,6,6]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCO)(H)	C(C[6]C[5,6,6]C[6]H)(CCH)(H)	H(CCC)	117.6300	0.000	1	117.6300	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2C)(CCH)(H)	H(CCC)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2C)(CCH)(H)	H(CCC)	119.5530	0.000	1	119.5530	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2O)(CCH)(H)	H(CCC)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2O)(CCH)(H)	H(CCC)	117.8850	0.089	2	117.8850	0.008	2	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	114.7940	0.000	1	114.7940	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CC[6]O)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CC[6]O)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	H(CCC)	118.7880	0.000	1	118.7880	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CHO)(H)	C(C[6]C[6a]C[6]2)(CCH)(H)	H(CCC)	C(CC[6]H)(CHO)(H)	C(C[6]C[6a]C[6]2)(CCH)(H)	H(CCC)	119.8735	0.317	2	119.8735	0.101	2	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CNO)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CNO)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	H(CCC)	120.8540	0.000	1	120.8540	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CNO)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	H(CCC)	C(CC[6]H)(CNO)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	H(CCC)	124.8200	0.000	1	124.8200	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(COO)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(COO)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	H(CCC)	119.8480	0.100	2	119.8480	0.010	2	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(COO)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	H(CCC)	C(CC[6]H)(COO)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	H(CCC)	117.7494	2.593	5	117.7494	6.723	5	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(COO)(H)	C(C[6]C[6]2C)(CCH)(H)	H(CCC)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2C)(CCH)(H)	H(CCC)	119.4125	0.390	2	119.4125	0.152	2	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(COO)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	120.6253	2.519	3	120.6253	6.347	3	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(COO)(H)	C(C[6]C[6]2O)(CCH)(H)	H(CCC)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2O)(CCH)(H)	H(CCC)	123.7390	0.000	1	123.7390	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(COO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(COO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	120.1610	0.000	1	120.1610	0.000	1	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6a]O)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]C)(CCH)(H)	H(CCC)	C(CC[6a]O)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]C)(CCH)(H)	H(CCC)	117.4085	0.071	2	117.4085	0.005	2	117.4844	5.470	65	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:O-1:	C-3:	C(CC[5,6]C)(CC[6]O)(H)	C(C[6]C[6]2C)(CCH)(O)	H(CCC)	C(CC[5,6]C)(CC[6]O)(H)	C(C[6]C[6]2C)(CCH)(O)	H(CCC)	115.4897	0.058	3	115.4897	0.003	3	116.7092	3.498	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:O-1:	C-3:	C(CC[5,6]C)(CC[6]O)(H)	C(C[6]C[6]2O)(CCH)(O)	H(CCC)	C(CC[5,6]C)(CC[6]O)(H)	C(C[6]C[6]2O)(CCH)(O)	H(CCC)	117.0845	0.337	2	117.0845	0.114	2	116.7092	3.498	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:O-1:	C-3:	C(CC[5]H)(CC[6]O)(H)	C(C[6]C[6]2H)(CCH)(O)	H(CCC)	C(CC[5]H)(CC[6]O)(H)	C(C[6]C[6]2H)(CCH)(O)	H(CCC)	113.2710	0.000	1	113.2710	0.000	1	116.7092	3.498	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:O-1:	C-3:	C(CC[6]H)(CC[6]O)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(O)	H(CCC)	C(CC[6]H)(CC[6]O)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(O)	H(CCC)	114.4970	0.000	1	114.4970	0.000	1	116.7092	3.498	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:O-1:	C-3:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2H)(CCH)(O)	H(CCC)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2H)(CCH)(O)	H(CCC)	119.2040	0.000	1	119.2040	0.000	1	116.7092	3.498	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:C-3:O-1:	C-3:	C(CC[6a]H)(CC[6]O)(H)	C(C[6]C[6]2H)(CCH)(O)	H(CCC)	C(CC[6a]H)(CC[6]O)(H)	C(C[6]C[6]2H)(CCH)(O)	H(CCC)	117.9220	1.306	5	117.9220	1.704	5	116.7092	3.498	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	N-4:C-3:H-1:	C-3:	C(CCH)(CHN)(H)	C(NC3)(CCH)(H)	H(CCC)	C(CCH)(CHN)(H)	C(NC3)(CCH)(H)	H(CCC)	113.6757	5.367	3	113.6757	28.802	3	116.4842	29.314	5	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	N-4:C-3:H-1:	C-3:	C(CHN)(CNO)(H)	C(NZnCC)(CCH)(H)	H(CCC)	C(CHN)(CNO)(H)	C(NZnCC)(CCH)(H)	H(CCC)	121.1930	0.000	1	121.1930	0.000	1	116.4842	29.314	5	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	N-4:C-3:H-1:	C-3:	C(CHN)(COO)(H)	C(NC3)(CCH)(H)	H(CCC)	C(CHN)(COO)(H)	C(NC3)(CCH)(H)	H(CCC)	120.2010	0.000	1	120.2010	0.000	1	116.4842	29.314	5	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	N[5]-4:C-3:H-1:	C-3:	C(CN[5]H)(COO)(H)	C(N[5]C[5]2O)(CCH)(H)	H(CCC)	C(CN[5]H)(COO)(H)	C(N[5]C[5]2O)(CCH)(H)	H(CCC)	119.0910	0.000	1	119.0910	0.000	1	119.0910	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	P-4:C-3:F-1:	C-3:	C(CCH)(CFP)(H)	C(PC[6a]2C)(CCH)(F)	H(CCC)	C(CCH)(CFP)(H)	C(PC[6a]2C)(CCH)(F)	H(CCC)	118.6360	0.000	1	118.6360	0.000	1	118.6360	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(CCC)(CHP)(H)	C(PC[6a]2Cu)(CCH)(H)	H(CCC)	C(CCC)(CHP)(H)	C(PC[6a]2Cu)(CCH)(H)	H(CCC)	117.5150	0.052	2	117.5150	0.003	2	117.2920	0.151	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(CSiH)(CHP)(H)	C(PC[6a]3)(CCH)(H)	H(CCC)	C(CSiH)(CHP)(H)	C(PC[6a]3)(CCH)(H)	H(CCC)	116.8460	0.000	1	116.8460	0.000	1	117.2920	0.151	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	P[4]-4:C-3:H-1:	C-3:	C(CP[4]H)(COO)(H)	C(P[4]N[4]2N)(CCH)(H)	H(CCC)	C(CP[4]H)(COO)(H)	C(P[4]N[4]2N)(CCH)(H)	H(CCC)	118.8980	0.000	1	118.8980	0.000	1	118.8980	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	S-4:C-3:Br-1:	C-3:	C(CBrS)(CCH)(H)	C(SFOO)(CCH)(Br)	H(CCC)	C(CBrS)(CCH)(H)	C(SFOO)(CCH)(Br)	H(CCC)	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	S-4:C-3:H-1:	C-3:	C(CCC)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	C(CCC)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	116.9770	0.000	1	116.9770	0.000	1	118.3610	1.160	4	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	S-4:C-3:H-1:	C-3:	C(CCH)(CHS)(H)	C(SCOO)(CCH)(H)	H(CCC)	C(CCH)(CHS)(H)	C(SCOO)(CCH)(H)	H(CCC)	118.1690	0.000	1	118.1690	0.000	1	118.3610	1.160	4	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	S-4:C-3:H-1:	C-3:	C(CCH)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	C(CCH)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	119.1490	0.536	2	119.1490	0.287	2	118.3610	1.160	4	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CC[6a]O)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CC[6a]O)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	117.2280	0.000	1	117.2280	0.000	1	115.9381	3.337	22	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(CCC)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CSiH)(CCC)(H)	C(SiC3)(CCH)(H)	H(CCC)	115.3708	1.323	12	115.3708	1.751	12	115.9381	3.337	22	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(CCN)(H)	C(SiSi2N)(CCH)(H)	H(CCC)	C(CSiH)(CCN)(H)	C(SiSi2N)(CCH)(H)	H(CCC)	115.6740	0.000	1	115.6740	0.000	1	115.9381	3.337	22	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(CHP)(H)	C(SiSiNO)(CCH)(H)	H(CCC)	C(CSiH)(CHP)(H)	C(SiSiNO)(CCH)(H)	H(CCC)	116.8460	0.000	1	116.8460	0.000	1	115.9381	3.337	22	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(CNO)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CSiH)(CNO)(H)	C(SiC3)(CCH)(H)	H(CCC)	118.8430	0.014	2	118.8430	0.000	2	115.9381	3.337	22	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(CNS)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CSiH)(CNS)(H)	C(SiC3)(CCH)(H)	H(CCC)	117.6630	0.000	1	117.6630	0.000	1	115.9381	3.337	22	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)2(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CSiH)2(H)	C(SiC3)(CCH)(H)	H(CCC)	115.2730	2.756	4	115.2730	7.594	4	115.9381	3.337	22	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	Si-4:C-3:I-1:	C-3:	C(CSiI)(CCH)(H)	C(SiC3)(CCH)(I)	H(CCC)	C(CSiI)(CCH)(H)	C(SiC3)(CCH)(I)	H(CCC)	115.8280	0.173	2	115.8280	0.030	2	115.8280	0.030	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrC)(NCC)(H)	C(CC[6]HH)(CHN)(Br)	H(CCN)	C(CBrC)(NCC)(H)	C(CC[6]HH)(CHN)(Br)	H(CCN)	119.1190	0.000	1	119.1190	0.000	1	119.1190	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CCHH)(CHN)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CCHH)(CHN)(H)	H(CCN)	124.0410	0.000	3	124.0410	0.000	3	118.9239	8.477	17	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CCHN)(CHN)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CCHN)(CHN)(H)	H(CCN)	116.4770	0.000	1	116.4770	0.000	1	118.9239	8.477	17	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(NCC)(H)	C(CC[5a]CC)(CHN)(H)	H(CCN)	C(CCH)(NCC)(H)	C(CC[5a]CC)(CHN)(H)	H(CCN)	117.3060	0.000	1	117.3060	0.000	1	118.9239	8.477	17	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(NCH)(H)	C(CCCH)(CHN)(H)	H(CCN)	C(CCH)(NCH)(H)	C(CCCH)(CHN)(H)	H(CCN)	118.1218	1.807	5	118.1218	3.266	5	118.9239	8.477	17	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(NCH)(H)	C(CCHH)(CHN)(H)	H(CCN)	C(CCH)(NCH)(H)	C(CCHH)(CHN)(H)	H(CCN)	119.2050	2.572	3	119.2050	6.617	3	118.9239	8.477	17	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(NCH)(H)	C(CCHO)(CHN)(H)	H(CCN)	C(CCH)(NCH)(H)	C(CCHO)(CHN)(H)	H(CCN)	117.9430	0.000	1	117.9430	0.000	1	118.9239	8.477	17	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(NCH)(H)	C(CC[6a]2H)(CHN)(H)	H(CCN)	C(CCH)(NCH)(H)	C(CC[6a]2H)(CHN)(H)	H(CCN)	116.1915	0.173	2	116.1915	0.030	2	118.9239	8.477	17	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(NCS)(H)	C(CN[5a]HH)(CHN)(H)	H(CCN)	C(CCH)(NCS)(H)	C(CN[5a]HH)(CHN)(H)	H(CCN)	117.2510	0.000	1	117.2510	0.000	1	118.9239	8.477	17	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(NCS)(H)	C(C[3]C[3,6]2H)(CHN)(H)	H(CCN)	C(CC[3]H)(NCS)(H)	C(C[3]C[3,6]2H)(CHN)(H)	H(CCN)	115.9260	0.000	1	115.9260	0.000	1	115.9260	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(NCC)(H)	C(C[5]C[5]2Co)(CHN)(H)	H(CCN)	C(CC[5]H)(NCC)(H)	C(C[5]C[5]2Co)(CHN)(H)	H(CCN)	115.6715	0.138	2	115.6715	0.019	2	115.6715	0.019	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	S-4:C-3:H-1:	C-3:	C(CHS)(NCC)(H)	C(SC[6a]OO)(CHN)(H)	H(CCN)	C(CHS)(NCC)(H)	C(SC[6a]OO)(CHN)(H)	H(CCN)	116.5025	0.173	2	116.5025	0.030	2	116.5025	0.030	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiH)(NLiC)(H)	C(SiC3)(CHN)(H)	H(CCN)	C(CSiH)(NLiC)(H)	C(SiC3)(CHN)(H)	H(CCN)	117.7150	0.000	1	117.7150	0.000	1	117.7150	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:S-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCH)(SCO)(H)	C(CH3)(CHS)(H)	H(CCS)	C(CCH)(SCO)(H)	C(CH3)(CHS)(H)	H(CCS)	119.5450	0.000	1	119.5450	0.000	1	119.5450	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C-3:S-3:H-1:	C[5,6]-4:C-3:I-1:	C-3:	C(CC[5,6]I)(SC[6a]O)(H)	C(C[5,6]C[5,5,6]C[5,6]O)(CHS)(I)	H(CCS)	C(CC[5,6]I)(SC[6a]O)(H)	C(C[5,6]C[5,5,6]C[5,6]O)(CHS)(I)	H(CCS)	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[5]C[4,5]N[5])(CCH)(H)	C(CC[5a]CC)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[4,5]N[5])(CCH)(H)	C(CC[5a]CC)(CC[5]H)(H)	H(CC[5]C)	115.7900	0.000	1	115.7900	0.000	1	115.7625	0.002	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[5]C[5]2)(CCH)(H)	C(CC[6]HH)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C(CC[6]HH)(CC[5]H)(H)	H(CC[5]C)	115.7350	0.000	1	115.7350	0.000	1	115.7625	0.002	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5]-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(C[5]C[5]O[5])(CCO)(H)	C(CC[6]HH)(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5]O[5])(CCO)(H)	C(CC[6]HH)(CC[5]H)(O)	H(CC[5]C)	115.8150	0.000	1	115.8150	0.000	1	115.8150	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5]-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(C[5]C[5]N[5])(CC[5]O)(H)	C(C[5]C[5]2Fe)(CC[5]H)(O)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5]O)(H)	C(C[5]C[5]2Fe)(CC[5]H)(O)	H(CC[5]C)	115.0390	0.832	2	115.0390	0.691	2	115.0390	0.691	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]C)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]C)(CC[5]H)(H)	H(CC[5]C)	117.8380	0.000	1	117.8380	0.000	1	117.3289	0.103	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	H(CC[5]C)	117.2440	0.252	6	117.2440	0.063	6	117.3289	0.103	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CN[6a]HH)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CN[6a]HH)(CC[5a]H)(H)	H(CC[5a]C)	118.7880	0.098	2	118.7880	0.010	2	117.8700	1.517	4	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]CH)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CC[5a]CH)(CC[5a]H)(H)	H(CC[5a]C)	117.7170	0.000	1	117.7170	0.000	1	117.8700	1.517	4	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5]HH)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5]HH)(CC[5a]H)(H)	H(CC[5a]C)	116.1870	0.000	1	116.1870	0.000	1	117.8700	1.517	4	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	C(C[5]C[5,6]O[5]C)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	C(C[5]C[5,6]O[5]C)(CC[5a]H)(H)	H(CC[5a]C)	115.1050	0.000	1	115.1050	0.000	1	116.7211	2.075	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	C(C[5]C[5,6]O[5]O)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	C(C[5]C[5,6]O[5]O)(CC[5a]H)(H)	H(CC[5a]C)	114.9410	0.000	1	114.9410	0.000	1	116.7211	2.075	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	C(C[5]C[5]N[5]C)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	C(C[5]C[5]N[5]C)(CC[5a]H)(H)	H(CC[5a]C)	115.1180	0.000	1	115.1180	0.000	1	116.7211	2.075	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[5a]H)(H)	H(CC[5a]C)	116.8220	0.000	1	116.8220	0.000	1	116.7211	2.075	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[5a]H)(H)	H(CC[5a]C)	116.6335	1.032	4	116.6335	1.065	4	116.7211	2.075	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[5a]N[5a,6]C[5a])(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]N[5a,6]C[5a])(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[5a]H)(H)	H(CC[5a]C)	117.7708	1.397	5	117.7708	1.950	5	116.7211	2.075	13	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[5a]C[5a]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CC[5a]H)(H)	H(CC[5a]C)	116.6640	0.000	1	116.6640	0.000	1	116.6786	0.312	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	C(C[6]C[6]2C)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	C(C[6]C[6]2C)(CC[5a]H)(H)	H(CC[5a]C)	117.7230	0.000	1	117.7230	0.000	1	116.6786	0.312	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	C(C[6]C[6]2H)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	C(C[6]C[6]2H)(CC[5a]H)(H)	H(CC[5a]C)	116.1140	0.000	2	116.1140	0.000	2	116.6786	0.312	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	C(C[6]N[6]2H)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	C(C[6]N[6]2H)(CC[5a]H)(H)	H(CC[5a]C)	116.6730	0.366	2	116.6730	0.134	2	116.6786	0.312	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	C(C[6]N[6]2H)(CC[5a]H)(H)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	C(C[6]N[6]2H)(CC[5a]H)(H)	H(CC[5a]C)	116.7890	0.000	1	116.7890	0.000	1	116.6786	0.312	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	B[5,5]-4:C-3:H-1:	C-3:	C(C[6]C[6]2)(CB[5,5]H)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CB[5,5]H)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6]H)(H)	H(CC[6]C)	115.9400	0.000	1	115.9400	0.000	1	115.9400	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[3]H)(H)	C(C[3]Si[3,5]C[3]H)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[3]H)(H)	C(C[3]Si[3,5]C[3]H)(CC[6]H)(H)	H(CC[6]C)	113.1910	0.000	1	113.1910	0.000	1	113.1910	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[5,6]H)(H)	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[5,6]H)(H)	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	H(CC[6]C)	115.3090	0.257	3	115.3090	0.066	3	115.3090	0.066	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[6]H)(H)	H(CC[6]C)	116.9868	0.589	9	116.9868	0.347	9	116.9159	0.359	10	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]C[5]O[5]C)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[5]H)(H)	C(C[5]C[5]O[5]C)(CC[6]H)(H)	H(CC[6]C)	116.2780	0.000	1	116.2780	0.000	1	116.9159	0.359	10	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2)(CC[6]H)(H)	C(C[6]C[6]2Cr)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]H)(H)	C(C[6]C[6]2Cr)(CC[6]H)(H)	H(CC[6]C)	116.4810	0.000	1	116.4810	0.000	1	116.4810	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C[6]-4:C-3:O-1:	C-3:	C(C[6]C[6]2)(CC[6]O)(H)	C(C[6]C[3,6]C[6]C)(CC[6]H)(O)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]O)(H)	C(C[6]C[3,6]C[6]C)(CC[6]H)(O)	H(CC[6]C)	117.5820	0.000	1	117.5820	0.000	1	116.7543	0.685	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C[6]-4:C-3:O-1:	C-3:	C(C[6]C[6]2)(CC[6]O)(H)	C(C[6]C[6]2C)(CC[6]H)(O)	H(CC[6]C)	C(C[6]C[6]2)(CC[6]O)(H)	C(C[6]C[6]2C)(CC[6]H)(O)	H(CC[6]C)	116.3405	0.585	2	116.3405	0.342	2	116.7543	0.685	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	B-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CBH)(H)	C(BC[6a]2O)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBH)(H)	C(BC[6a]2O)(CC[6a]H)(H)	H(CC[6a]C)	115.2370	0.000	1	115.2370	0.000	1	115.9945	1.148	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	B-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CBH)(H)	C(BC[6a]3)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBH)(H)	C(BC[6a]3)(CC[6a]H)(H)	H(CC[6a]C)	116.7520	0.000	1	116.7520	0.000	1	115.9945	1.148	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	B[5,5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CB[5,5]H)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CB[5,5]H)(H)	C(B[5,5]N[5,5]O[5]2)(CC[6a]H)(H)	H(CC[6a]C)	116.5570	0.000	1	116.5570	0.000	1	116.5570	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:Br-1:	C-3:	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6]CH)(CC[6a]H)(Br)	H(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6]CH)(CC[6a]H)(Br)	H(CC[6a]C)	114.2580	0.858	4	114.2580	0.735	4	114.2580	0.735	4	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]HN)(CC[6a]H)(Cl)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]HN)(CC[6a]H)(Cl)	H(CC[6a]C)	113.6630	0.000	1	113.6630	0.000	1	118.4090	6.220	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]HO)(CC[6a]H)(Cl)	H(CC[6a]C)	C(C[6a]C[6a]2)(CClC)(H)	C(CC[6a]HO)(CC[6a]H)(Cl)	H(CC[6a]C)	119.2000	1.486	6	119.2000	2.209	6	118.4090	6.220	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:F-1:	C-3:	C(C[6a]C[6a]2)(CCF)(H)	C(CC[5]HH)(CC[6a]H)(F)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCF)(H)	C(CC[5]HH)(CC[6a]H)(F)	H(CC[6a]C)	114.6640	0.000	1	114.6640	0.000	1	114.9386	0.059	5	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:F-1:	C-3:	C(C[6a]C[6a]2)(CCF)(H)	C(CC[6]HH)(CC[6a]H)(F)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCF)(H)	C(CC[6]HH)(CC[6a]H)(F)	H(CC[6a]C)	114.7330	0.000	1	114.7330	0.000	1	114.9386	0.059	5	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:F-1:	C-3:	C(C[6a]C[6a]2)(CCF)(H)	C(CC[6a]N[5a]H)(CC[6a]H)(F)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCF)(H)	C(CC[6a]N[5a]H)(CC[6a]H)(F)	H(CC[6a]C)	115.0987	0.144	3	115.0987	0.021	3	114.9386	0.059	5	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[5]CH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[5]CH)(CC[6a]H)(H)	H(CC[6a]C)	117.0480	0.000	1	117.0480	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CN[5]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CN[5]2H)(CC[6a]H)(H)	H(CC[6a]C)	116.6060	0.000	1	116.6060	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CN[6a]HH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CN[6a]HH)(CC[6a]H)(H)	H(CC[6a]C)	116.9550	0.000	1	116.9550	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CB[6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CB[6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	117.0910	0.000	1	117.0910	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[3]N[6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[3]N[6]H)(CC[6a]H)(H)	H(CC[6a]C)	116.8920	0.000	1	116.8920	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	H(CC[6a]C)	116.9287	0.461	3	116.9287	0.213	3	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5,6]C[6a]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5,6]C[6a]H)(CC[6a]H)(H)	H(CC[6a]C)	115.6960	0.000	1	115.6960	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5,6]HH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5,6]HH)(CC[6a]H)(H)	H(CC[6a]C)	121.1900	0.000	1	121.1900	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]2H)(CC[6a]H)(H)	H(CC[6a]C)	121.4360	0.000	1	121.4360	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]CH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]CH)(CC[6a]H)(H)	H(CC[6a]C)	117.0355	2.039	4	117.0355	4.156	4	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]HH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]HH)(CC[6a]H)(H)	H(CC[6a]C)	116.8750	1.564	13	116.8750	2.445	13	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]HN)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]HN)(CC[6a]H)(H)	H(CC[6a]C)	118.4880	0.000	2	118.4880	0.000	2	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]Os2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]Os2)(CC[6a]H)(H)	H(CC[6a]C)	116.6270	0.000	1	116.6270	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]CO)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]CO)(CC[6a]H)(H)	H(CC[6a]C)	116.7665	0.651	2	116.7665	0.424	2	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]C[6a]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]C[6a]H)(CC[6a]H)(H)	H(CC[6a]C)	116.2737	0.251	3	116.2737	0.063	3	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]HH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]HH)(CC[6a]H)(H)	H(CC[6a]C)	116.3910	0.643	3	116.3910	0.414	3	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]2H)(CC[6a]H)(H)	H(CC[6a]C)	118.2377	2.075	6	118.2377	4.306	6	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]CH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]CH)(CC[6a]H)(H)	H(CC[6a]C)	116.3120	0.263	4	116.3120	0.069	4	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]CO)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]CO)(CC[6a]H)(H)	H(CC[6a]C)	117.3030	0.246	2	117.3030	0.061	2	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]HH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]HH)(CC[6a]H)(H)	H(CC[6a]C)	116.3281	0.440	7	116.3281	0.193	7	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]HS)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]HS)(CC[6a]H)(H)	H(CC[6a]C)	117.0080	0.000	1	117.0080	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]2H)(CC[6a]H)(H)	H(CC[6a]C)	117.2855	0.815	2	117.2855	0.665	2	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]CH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]CH)(CC[6a]H)(H)	H(CC[6a]C)	116.7990	0.448	11	116.7990	0.201	11	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]CO)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]CO)(CC[6a]H)(H)	H(CC[6a]C)	116.5980	0.006	2	116.5980	0.000	2	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C[5]H)(CC[6a]H)(H)	H(CC[6a]C)	116.8616	0.548	7	116.8616	0.300	7	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]HH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]HH)(CC[6a]H)(H)	H(CC[6a]C)	115.3816	2.545	7	115.3816	6.475	7	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]HN)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]HN)(CC[6a]H)(H)	H(CC[6a]C)	116.5840	0.000	1	116.5840	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]HO)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]HO)(CC[6a]H)(H)	H(CC[6a]C)	116.1710	0.705	3	116.1710	0.497	3	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]HS)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]HS)(CC[6a]H)(H)	H(CC[6a]C)	116.5410	0.599	5	116.5410	0.359	5	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]N[5a]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]N[5a]H)(CC[6a]H)(H)	H(CC[6a]C)	116.7720	0.000	1	116.7720	0.000	1	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CN[5,5]HH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CN[5,5]HH)(CC[6a]H)(H)	H(CC[6a]C)	116.0825	0.045	2	116.0825	0.002	2	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CN[5]HH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CN[5]HH)(CC[6a]H)(H)	H(CC[6a]C)	117.1517	1.416	3	117.1517	2.006	3	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CN[5a]HH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CN[5a]HH)(CC[6a]H)(H)	H(CC[6a]C)	116.9589	0.324	9	116.9589	0.105	9	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(H)	C(CN[6]HH)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(H)	C(CN[6]HH)(CC[6a]H)(H)	H(CC[6a]C)	116.2317	0.532	12	116.2317	0.283	12	116.7806	1.683	124	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CC[3]H)(H)	C(C[3]C[3]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[3]H)(H)	C(C[3]C[3]2H)(CC[6a]H)(H)	H(CC[6a]C)	117.5050	0.000	1	117.5050	0.000	1	116.5095	0.501	18	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3,5]2C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3,5]2C)(CC[6a]H)(H)	H(CC[6a]C)	114.7040	0.000	1	114.7040	0.000	1	116.5095	0.501	18	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3,5]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3,5]2H)(CC[6a]H)(H)	H(CC[6a]C)	115.8725	0.373	2	115.8725	0.139	2	116.5095	0.501	18	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3,5]N[3,5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3,5]N[3,5]H)(CC[6a]H)(H)	H(CC[6a]C)	116.6180	0.000	1	116.6180	0.000	1	116.5095	0.501	18	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3]2C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3]2C)(CC[6a]H)(H)	H(CC[6a]C)	116.6850	0.000	1	116.6850	0.000	1	116.5095	0.501	18	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3]2H)(CC[6a]H)(H)	H(CC[6a]C)	116.5390	0.490	9	116.5390	0.240	9	116.5095	0.501	18	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3]N[3]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3]N[3]H)(CC[6a]H)(H)	H(CC[6a]C)	116.8965	0.684	2	116.8965	0.468	2	116.5095	0.501	18	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3]O[3]C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]H)(H)	C(C[3]C[3]O[3]C)(CC[6a]H)(H)	H(CC[6a]C)	117.2700	0.000	1	117.2700	0.000	1	116.5095	0.501	18	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[4,6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[4,6]H)(H)	C(C[4,6]C[4,6]C[4]O[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4,6]H)(H)	C(C[4,6]C[4,6]C[4]O[6])(CC[6a]H)(H)	H(CC[6a]C)	116.7020	0.000	1	116.7020	0.000	1	116.7020	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[4]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[4]H)(H)	C(C[4]C[4]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4]H)(H)	C(C[4]C[4]2H)(CC[6a]H)(H)	H(CC[6a]C)	116.9666	0.808	9	116.9666	0.653	9	116.8805	0.600	12	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[4]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[4]H)(H)	C(C[4]C[4]N[4]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4]H)(H)	C(C[4]C[4]N[4]H)(CC[6a]H)(H)	H(CC[6a]C)	116.6223	0.743	3	116.6223	0.552	3	116.8805	0.600	12	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5,5]H)(H)	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,5]H)(H)	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	H(CC[6a]C)	116.3837	0.293	3	116.3837	0.086	3	116.3837	0.086	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	H(CC[6a]C)	118.5950	0.000	1	118.5950	0.000	1	117.1876	1.608	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[5,5,6]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[5,5,6]2H)(CC[6a]H)(H)	H(CC[6a]C)	119.4210	0.000	1	119.4210	0.000	1	117.1876	1.608	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	H(CC[6a]C)	115.7850	0.000	1	115.7850	0.000	1	117.1876	1.608	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	H(CC[6a]C)	116.6960	0.055	2	116.6960	0.003	2	117.1876	1.608	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	H(CC[6a]C)	117.0200	0.000	1	117.0200	0.000	1	117.1876	1.608	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	H(CC[6a]C)	116.6440	1.103	2	116.6440	1.217	2	117.1876	1.608	8	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:Br-1:	C-3:	C(C[6a]C[6a]2)(CC[5]Br)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(Br)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]Br)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(Br)	H(CC[6a]C)	113.2120	0.000	1	113.2120	0.000	1	113.2120	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:Cl-1:	C-3:	C(C[6a]C[6a]2)(CC[5]Cl)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(Cl)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]Cl)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(Cl)	H(CC[6a]C)	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	H(CC[6a]C)	117.2225	0.633	2	117.2225	0.401	2	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	H(CC[6a]C)	115.7020	0.000	1	115.7020	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]B[5]N[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]B[5]N[5]H)(CC[6a]H)(H)	H(CC[6a]C)	116.5400	0.000	1	116.5400	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]C[5]O)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]C[5]O)(CC[6a]H)(H)	H(CC[6a]C)	115.7190	0.000	1	115.7190	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]N[5]C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]N[5]C)(CC[6a]H)(H)	H(CC[6a]C)	116.2530	0.000	1	116.2530	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	H(CC[6a]C)	116.3413	0.309	3	116.3413	0.095	3	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	H(CC[6a]C)	117.5130	0.357	6	117.5130	0.128	6	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	H(CC[6a]C)	117.4525	2.085	4	117.4525	4.348	4	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	H(CC[6a]C)	116.4410	0.000	1	116.4410	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	H(CC[6a]C)	117.6320	0.000	1	117.6320	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]C)(CC[6a]H)(H)	H(CC[6a]C)	117.0480	0.000	1	117.0480	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	H(CC[6a]C)	116.5270	0.302	5	116.5270	0.091	5	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]O)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]C[5]O)(CC[6a]H)(H)	H(CC[6a]C)	117.1510	0.000	1	117.1510	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]N[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5,6a]N[5]H)(CC[6a]H)(H)	H(CC[6a]C)	116.1820	0.987	2	116.1820	0.974	2	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2C)(CC[6a]H)(H)	H(CC[6a]C)	116.9430	0.000	1	116.9430	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	H(CC[6a]C)	117.3750	1.874	25	117.3750	3.513	25	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[6a]H)(H)	H(CC[6a]C)	115.9267	0.399	3	115.9267	0.159	3	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2N)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2N)(CC[6a]H)(H)	H(CC[6a]C)	116.3680	0.000	1	116.3680	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2O)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2O)(CC[6a]H)(H)	H(CC[6a]C)	116.5395	0.313	2	116.5395	0.098	2	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5]C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5]C)(CC[6a]H)(H)	H(CC[6a]C)	116.2320	0.000	1	116.2320	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	H(CC[6a]C)	116.5736	0.320	5	116.5736	0.102	5	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	H(CC[6a]C)	116.6859	0.804	8	116.6859	0.646	8	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	H(CC[6a]C)	118.1118	2.254	8	118.1118	5.080	8	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	H(CC[6a]C)	116.1930	0.000	1	116.1930	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	H(CC[6a]C)	117.7660	0.000	1	117.7660	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5,5]C[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5,5]C[5]H)(CC[6a]H)(H)	H(CC[6a]C)	115.9280	0.000	1	115.9280	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	H(CC[6a]C)	116.7250	0.000	1	116.7250	0.000	1	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	H(CC[6a]C)	116.5450	0.429	5	116.5450	0.184	5	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	H(CC[6a]C)	116.6415	0.002	2	116.6415	0.000	2	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]N[6a])(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	H(CC[6a]C)	118.8505	0.391	2	118.8505	0.153	2	117.0329	1.909	97	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	H(CC[6a]C)	116.0040	0.765	5	116.0040	0.585	5	116.1884	0.564	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	H(CC[6a]C)	116.1760	0.000	1	116.1760	0.000	1	116.1884	0.564	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	H(CC[6a]C)	117.1230	0.000	1	117.1230	0.000	1	116.1884	0.564	7	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:F-1:	C-3:	C(C[6a]C[6a]2)(CC[6]F)(H)	C(C[6]C[6]2H)(CC[6a]H)(F)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]F)(H)	C(C[6]C[6]2H)(CC[6a]H)(F)	H(CC[6a]C)	115.6980	0.052	4	115.6980	0.003	4	115.6980	0.003	4	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	H(CC[6a]C)	116.3165	0.249	4	116.3165	0.062	4	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	H(CC[6a]C)	116.9255	0.445	2	116.9255	0.198	2	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	H(CC[6a]C)	117.0075	0.629	2	117.0075	0.395	2	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	H(CC[6a]C)	116.9250	0.000	1	116.9250	0.000	1	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6]2H)(CC[6a]H)(H)	H(CC[6a]C)	118.4654	2.019	5	118.4654	4.077	5	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	H(CC[6a]C)	117.5410	0.000	1	117.5410	0.000	1	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	H(CC[6a]C)	116.6250	0.605	2	116.6250	0.366	2	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	H(CC[6a]C)	116.4800	0.000	1	116.4800	0.000	1	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	H(CC[6a]C)	116.6051	0.612	7	116.6051	0.375	7	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2Cr)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2Cr)(CC[6a]H)(H)	H(CC[6a]C)	116.7150	0.095	2	116.7150	0.009	2	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2Fe)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2Fe)(CC[6a]H)(H)	H(CC[6a]C)	116.5940	0.000	1	116.5940	0.000	1	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2H)(CC[6a]H)(H)	H(CC[6a]C)	116.5139	0.577	14	116.5139	0.333	14	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2O)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2O)(CC[6a]H)(H)	H(CC[6a]C)	117.3810	0.000	1	117.3810	0.000	1	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	H(CC[6a]C)	116.4131	0.508	9	116.4131	0.258	9	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	H(CC[6a]C)	116.4990	0.000	1	116.4990	0.000	1	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	H(CC[6a]C)	117.4508	1.440	13	117.4508	2.075	13	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	H(CC[6a]C)	116.4070	0.000	1	116.4070	0.000	1	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]N[6]2H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]N[6]2H)(CC[6a]H)(H)	H(CC[6a]C)	116.1340	0.017	2	116.1340	0.000	2	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	H(CC[6a]C)	116.2550	0.000	1	116.2550	0.000	1	116.8642	1.108	70	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	Ge-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CGeH)(H)	C(GeC[6a]3)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGeH)(H)	C(GeC[6a]3)(CC[6a]H)(H)	H(CC[6a]C)	115.2045	0.074	2	115.2045	0.006	2	115.2045	0.006	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	P-4:C-3:F-1:	C-3:	C(C[6a]C[6a]2)(CFP)(H)	C(PC[6a]2B)(CC[6a]H)(F)	H(CC[6a]C)	C(C[6a]C[6a]2)(CFP)(H)	C(PC[6a]2B)(CC[6a]H)(F)	H(CC[6a]C)	114.5507	0.801	3	114.5507	0.641	3	114.5507	0.641	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHP)(H)	C(PC[6a]2S)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHP)(H)	C(PC[6a]2S)(CC[6a]H)(H)	H(CC[6a]C)	115.2130	0.000	1	115.2130	0.000	1	118.7377	12.699	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHP)(H)	C(PC[6a]CO)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHP)(H)	C(PC[6a]CO)(CC[6a]H)(H)	H(CC[6a]C)	120.5000	2.601	2	120.5000	6.764	2	118.7377	12.699	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	S-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHS)(H)	C(SC[6a]OO)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(H)	C(SC[6a]OO)(CC[6a]H)(H)	H(CC[6a]C)	116.0830	0.978	12	116.0830	0.956	12	116.0830	0.956	12	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CSiH)(H)	C(SiC[6a]3)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiH)(H)	C(SiC[6a]3)(CC[6a]H)(H)	H(CC[6a]C)	114.4190	0.000	1	114.4190	0.000	1	114.7760	0.255	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CSiH)(H)	C(SiC[6a]CC)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiH)(H)	C(SiC[6a]CC)(CC[6a]H)(H)	H(CC[6a]C)	115.1330	0.000	1	115.1330	0.000	1	114.7760	0.255	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	Si[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]2)(CSi[5]H)(H)	C(Si[5]C[5]2C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]2)(CSi[5]H)(H)	C(Si[5]C[5]2C)(CC[6a]H)(H)	H(CC[6a]C)	116.8940	0.000	1	116.8940	0.000	1	116.8530	0.151	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	Si[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(CSi[5]H)(H)	C(Si[5]C[5]2C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CSi[5]H)(H)	C(Si[5]C[5]2C)(CC[6a]H)(H)	H(CC[6a]C)	117.2200	0.000	1	117.2200	0.000	1	116.8530	0.151	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	Si[5]-4:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CSi[5]H)(H)	C(Si[5]C[5]2C)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSi[5]H)(H)	C(Si[5]C[5]2C)(CC[6a]H)(H)	H(CC[6a]C)	116.4450	0.000	1	116.4450	0.000	1	116.8530	0.151	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(NC[3x6]Al)(CCH)(H)	C(CAlSi2)(CHN)(H)	H(CCN)	C(NC[3x6]Al)(CCH)(H)	C(CAlSi2)(CHN)(H)	H(CCN)	119.7650	0.000	1	119.7650	0.000	1	118.5615	2.897	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(NC[6a]Cl)(CCH)(H)	C(CHHN)(CHN)(H)	H(CCN)	C(NC[6a]Cl)(CCH)(H)	C(CHHN)(CHN)(H)	H(CCN)	117.3580	0.000	1	117.3580	0.000	1	118.5615	2.897	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	C-4:C-3:I-1:	C-3:	C(NC[6a]S)(CCI)(H)	C(CC[5a]HH)(CHN)(I)	H(CCN)	C(NC[6a]S)(CCI)(H)	C(CC[5a]HH)(CHN)(I)	H(CCN)	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(NPdN)(CCO)(H)	C(CH3)(CHN)(O)	H(CCN)	C(NPdN)(CCO)(H)	C(CH3)(CHN)(O)	H(CCN)	119.6450	0.000	1	119.6450	0.000	1	119.6450	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	N-4:C-3:H-1:	C-3:	C(NFeC)(CHN)(H)	C(NFeCH)(CHN)(H)	H(CCN)	C(NFeC)(CHN)(H)	C(NFeCH)(CHN)(H)	H(CCN)	123.6140	0.000	1	123.6140	0.000	1	123.6140	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(NC[6a]Fe)(CHP)(H)	C(PFeCC)(CHN)(H)	H(CCN)	C(NC[6a]Fe)(CHP)(H)	C(PFeCC)(CHN)(H)	H(CCN)	120.3220	0.010	2	120.3220	0.000	2	119.2047	0.391	47	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(NCoC)(CHP)(H)	C(PCoCC)(CHN)(H)	H(CCN)	C(NCoC)(CHP)(H)	C(PCoCC)(CHN)(H)	H(CCN)	119.5553	0.243	8	119.5553	0.059	8	119.2047	0.391	47	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(NFeC)(CHP)(H)	C(PC[6a]2Fe)(CHN)(H)	H(CCN)	C(NFeC)(CHP)(H)	C(PC[6a]2Fe)(CHN)(H)	H(CCN)	122.0510	0.000	1	122.0510	0.000	1	119.2047	0.391	47	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(NIrC)(CHP)(H)	C(PIrCC)(CHN)(H)	H(CCN)	C(NIrC)(CHP)(H)	C(PIrCC)(CHN)(H)	H(CCN)	119.0927	0.259	24	119.0927	0.067	24	119.2047	0.391	47	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(NNiC)(CHP)(H)	C(PNiCC)(CHN)(H)	H(CCN)	C(NNiC)(CHP)(H)	C(PNiCC)(CHN)(H)	H(CCN)	118.8417	0.685	3	118.8417	0.470	3	119.2047	0.391	47	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(NOsC)(CHP)(H)	C(POsCC)(CHN)(H)	H(CCN)	C(NOsC)(CHP)(H)	C(POsCC)(CHN)(H)	H(CCN)	118.6027	0.304	6	118.6027	0.092	6	119.2047	0.391	47	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(NRhC)(CHP)(H)	C(PRhCC)(CHN)(H)	H(CCN)	C(NRhC)(CHP)(H)	C(PRhCC)(CHN)(H)	H(CCN)	119.0403	0.223	3	119.0403	0.050	3	119.2047	0.391	47	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N[5]-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(N[5]C[5]2)(CCH)(H)	C(CC[5a]HH)(CN[5]H)(H)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	C(CC[5a]HH)(CN[5]H)(H)	H(CN[5]C)	118.1090	0.000	1	118.1090	0.000	1	118.1090	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N[5]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(N[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CN[5]H)(H)	H(CN[5]C)	C(N[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CN[5]H)(H)	H(CN[5]C)	116.3600	0.000	1	116.3600	0.000	1	116.3600	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	N[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(N[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CN[6a]H)(H)	H(CN[6a]C)	C(N[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CN[6a]H)(H)	H(CN[6a]C)	118.2763	0.485	3	118.2763	0.235	3	118.2763	0.235	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	O-3:C-3:H-1:	N-4:C-3:H-1:	C-3:	C(OCuH)(CHN)(H)	C(NCuCC)(CHO)(H)	H(CCO)	C(OCuH)(CHN)(H)	C(NCuCC)(CHO)(H)	H(CCO)	123.4630	0.000	1	123.4630	0.000	1	123.4630	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	O-3:C-3:H-1:	O-4:C-3:H-1:	C-3:	C(OSrC)(CHO)(H)	C(OSrCH)(CHO)(H)	H(CCO)	C(OSrC)(CHO)(H)	C(OSrCH)(CHO)(H)	H(CCO)	106.3160	0.000	1	106.3160	0.000	1	106.3160	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	P-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(PC[6a]2)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CHP)(H)	H(CCP)	C(PC[6a]2)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CHP)(H)	H(CCP)	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	P-3:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2)(CHP)(H)	C(PC[6a]2Ru)(CHP)(H)	H(CCP)	C(PC[6a]2)(CHP)(H)	C(PC[6a]2Ru)(CHP)(H)	H(CCP)	116.3370	0.000	1	116.3370	0.000	1	116.3370	0.000	1	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	S-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SC[6a]O)(CCH)(H)	C(CCHO)(CHS)(H)	H(CCS)	C(SC[6a]O)(CCH)(H)	C(CCHO)(CHS)(H)	H(CCS)	118.2810	0.000	1	118.2810	0.000	1	120.4897	4.891	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	S-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SC[6a]O)(CCH)(H)	C(CCOO)(CHS)(H)	H(CCS)	C(SC[6a]O)(CCH)(H)	C(CCOO)(CHS)(H)	H(CCS)	122.7040	0.000	1	122.7040	0.000	1	120.4897	4.891	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	S-3:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SRu2)(CCH)(H)	C(CRuCH)(CHS)(H)	H(CCS)	C(SRu2)(CCH)(H)	C(CRuCH)(CHS)(H)	H(CCS)	120.4840	0.000	1	120.4840	0.000	1	120.4897	4.891	3	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:1:	3:	S-3:C-3:H-1:	C-4:C-3:I-1:	C-3:	C(SC[6a]O)(CCI)(H)	C(CHHO)(CHS)(I)	H(CCS)	C(SC[6a]O)(CCI)(H)	C(CHHO)(CHS)(I)	H(CCS)	124.5890	2.793	2	124.5890	7.801	2	124.5890	7.801	2	117.5115	3.692	1513	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:C-2:	C-3:	C(CCC)(CCH)(H)	C(CH3)(CCH)(CC)	H(CCC)	C(CCC)(CCH)(H)	C(CH3)(CCH)(CC)	H(CCC)	116.1425	0.073	2	116.1425	0.005	2	115.7517	0.461	3	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:C-2:	C-3:	C(CC[6a]2)(CCC)(H)	C(CC[6a]2O)(CCH)(CC)	H(CCC)	C(CC[6a]2)(CCC)(H)	C(CC[6a]2O)(CCH)(CC)	H(CCC)	114.9700	0.000	1	114.9700	0.000	1	115.7517	0.461	3	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(CCH)(CCN)(H)	C(CCHH)(CCH)(NN)	H(CCC)	C(CCH)(CCN)(H)	C(CCHH)(CCH)(NN)	H(CCC)	115.1060	0.000	1	115.1060	0.000	1	116.4215	2.605	10	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(NC)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(NC)	H(CCC)	117.5030	0.000	1	117.5030	0.000	1	116.4215	2.605	10	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(CCN)2(H)	C(CH3)(CCH)(NC)	H(CCC)	C(CCN)2(H)	C(CH3)(CCH)(NC)	H(CCC)	116.1940	0.000	1	116.1940	0.000	1	116.4215	2.605	10	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(CC[5a]H)(CCN)(H)	C(CH3)(CCH)(NN)	H(CCC)	C(CC[5a]H)(CCN)(H)	C(CH3)(CCH)(NN)	H(CCC)	117.2580	0.622	2	117.2580	0.387	2	116.4215	2.605	10	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(CC[6a]H)(CCN)(H)	C(CF3)(CCH)(NS)	H(CCC)	C(CC[6a]H)(CCN)(H)	C(CF3)(CCH)(NS)	H(CCC)	116.5470	0.000	1	116.5470	0.000	1	116.4215	2.605	10	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(CC[6a]H)(CCN)(H)	C(CH3)(CCH)(NN)	H(CCC)	C(CC[6a]H)(CCN)(H)	C(CH3)(CCH)(NN)	H(CCC)	114.9300	3.502	2	114.9300	12.261	2	116.4215	2.605	10	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(CC[6a]H)(CCN)(H)	C(CH3)(CCH)(NO)	H(CCC)	C(CC[6a]H)(CCN)(H)	C(CH3)(CCH)(NO)	H(CCC)	117.8030	0.000	1	117.8030	0.000	1	116.4215	2.605	10	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(CC[6a]N)(CCN)(H)	C(CC3)(CCH)(NSi)	H(CCC)	C(CC[6a]N)(CCN)(H)	C(CC3)(CCH)(NSi)	H(CCC)	116.6860	0.000	1	116.6860	0.000	1	116.4215	2.605	10	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCC)(CCO)(H)	C(CH3)(CCH)(OC)	H(CCC)	C(CCC)(CCO)(H)	C(CH3)(CCH)(OC)	H(CCC)	116.4360	0.000	1	116.4360	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCFF)(CCH)(OH)	H(CCC)	C(CCH)(CCO)(H)	C(CCFF)(CCH)(OH)	H(CCC)	117.8350	0.000	1	117.8350	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CCHH)(CCH)(OC)	H(CCC)	C(CCH)(CCO)(H)	C(CCHH)(CCH)(OC)	H(CCC)	114.8960	0.000	1	114.8960	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CC[6a]HH)(CCH)(OC)	H(CCC)	C(CCH)(CCO)(H)	C(CC[6a]HH)(CCH)(OC)	H(CCC)	116.7770	0.000	1	116.7770	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CC[6a]HN)(CCH)(OC)	H(CCC)	C(CCH)(CCO)(H)	C(CC[6a]HN)(CCH)(OC)	H(CCC)	116.9870	0.013	2	116.9870	0.000	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCH)(CCO)(H)	C(CH3)(CCH)(OAl)	H(CCC)	C(CCH)(CCO)(H)	C(CH3)(CCH)(OAl)	H(CCC)	116.4490	0.000	1	116.4490	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CC3)(CCH)(OZn)	H(CCC)	C(CCN)(CCO)(H)	C(CC3)(CCH)(OZn)	H(CCC)	116.7866	0.168	5	116.7866	0.028	5	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CC[6a]HH)(CCH)(OCo)	H(CCC)	C(CCN)(CCO)(H)	C(CC[6a]HH)(CCH)(OCo)	H(CCC)	117.7385	0.049	2	117.7385	0.002	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CC[6a]HH)(CCH)(ONi)	H(CCC)	C(CCN)(CCO)(H)	C(CC[6a]HH)(CCH)(ONi)	H(CCC)	118.1510	0.047	2	118.1510	0.002	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CF3)(CCH)(OCo)	H(CCC)	C(CCN)(CCO)(H)	C(CF3)(CCH)(OCo)	H(CCC)	117.8842	0.225	4	117.8842	0.051	4	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CF3)(CCH)(OIr)	H(CCC)	C(CCN)(CCO)(H)	C(CF3)(CCH)(OIr)	H(CCC)	117.7280	0.000	1	117.7280	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CF3)(CCH)(OMn)	H(CCC)	C(CCN)(CCO)(H)	C(CF3)(CCH)(OMn)	H(CCC)	118.0015	0.110	2	118.0015	0.012	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CF3)(CCH)(OMo)	H(CCC)	C(CCN)(CCO)(H)	C(CF3)(CCH)(OMo)	H(CCC)	118.0532	0.619	6	118.0532	0.383	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CF3)(CCH)(ONi)	H(CCC)	C(CCN)(CCO)(H)	C(CF3)(CCH)(ONi)	H(CCC)	117.6930	0.358	5	117.6930	0.128	5	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CF3)(CCH)(OZn)	H(CCC)	C(CCN)(CCO)(H)	C(CF3)(CCH)(OZn)	H(CCC)	117.8620	0.312	5	117.8620	0.097	5	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OAl)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OAl)	H(CCC)	117.5494	0.344	7	117.5494	0.118	7	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OC)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OC)	H(CCC)	115.9620	0.000	1	115.9620	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OCo)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OCo)	H(CCC)	117.4165	0.189	8	117.4165	0.036	8	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OCr)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OCr)	H(CCC)	116.7640	0.000	1	116.7640	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OCu)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OCu)	H(CCC)	116.8411	0.431	21	116.8411	0.186	21	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OFe)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OFe)	H(CCC)	116.6593	0.455	14	116.6593	0.207	14	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OGa)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OGa)	H(CCC)	117.5410	0.000	1	117.5410	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OH)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OH)	H(CCC)	117.5565	0.318	6	117.5565	0.101	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OIr)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OIr)	H(CCC)	116.0042	0.421	11	116.0042	0.177	11	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OMg)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OMg)	H(CCC)	116.7255	0.412	2	116.7255	0.170	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OMn)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OMn)	H(CCC)	117.1403	0.271	6	117.1403	0.074	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OMo)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OMo)	H(CCC)	117.5375	0.468	12	117.5375	0.219	12	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(ONi)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(ONi)	H(CCC)	117.2308	0.579	10	117.2308	0.335	10	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OPd)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OPd)	H(CCC)	115.3070	0.421	10	115.3070	0.177	10	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OPt)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OPt)	H(CCC)	114.3100	0.000	1	114.3100	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(ORe)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(ORe)	H(CCC)	116.6845	0.886	13	116.6845	0.786	13	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(ORh)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(ORh)	H(CCC)	116.1890	0.441	2	116.1890	0.195	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(ORu)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(ORu)	H(CCC)	116.2043	0.250	3	116.2043	0.063	3	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OSi)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OSi)	H(CCC)	116.4460	0.000	1	116.4460	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OSn)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OSn)	H(CCC)	116.4410	1.170	6	116.4410	1.370	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OZn)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OZn)	H(CCC)	115.9963	0.887	26	115.9963	0.787	26	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCN)(CCO)(H)	C(CIrHH)(CCH)(OGe)	H(CCC)	C(CCN)(CCO)(H)	C(CIrHH)(CCH)(OGe)	H(CCC)	116.9160	0.000	1	116.9160	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(CCS)(H)	C(CH3)(CCH)(OIr)	H(CCC)	C(CCO)(CCS)(H)	C(CH3)(CCH)(OIr)	H(CCC)	137.2490	0.000	1	137.2490	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(CFO)(H)	C(CH3)(CCH)(OH)	H(CCC)	C(CCO)(CFO)(H)	C(CH3)(CCH)(OH)	H(CCC)	120.2160	0.000	1	120.2160	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(CHH)(H)	C(CCHH)(CCH)(OIr)	H(CCC)	C(CCO)(CHH)(H)	C(CCHH)(CCH)(OIr)	H(CCC)	116.9170	0.000	1	116.9170	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(CHH)(H)	C(CH3)(CCH)(OIr)	H(CCC)	C(CCO)(CHH)(H)	C(CH3)(CCH)(OIr)	H(CCC)	117.7900	0.000	1	117.7900	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(CHN)(H)	C(CC3)(CCH)(ONi)	H(CCC)	C(CCO)(CHN)(H)	C(CC3)(CCH)(ONi)	H(CCC)	117.8690	0.000	1	117.8690	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(CNO)(H)	C(CH3)(CCH)(OC)	H(CCC)	C(CCO)(CNO)(H)	C(CH3)(CCH)(OC)	H(CCC)	117.0010	0.000	1	117.0010	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(CNO)(H)	C(CHHN)(CCH)(OC)	H(CCC)	C(CCO)(CNO)(H)	C(CHHN)(CCH)(OC)	H(CCC)	111.7245	0.405	2	111.7245	0.164	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(CNO)(H)	C(CHHO)(CCH)(OC)	H(CCC)	C(CCO)(CNO)(H)	C(CHHO)(CCH)(OC)	H(CCC)	113.2640	0.000	1	113.2640	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(COO)(H)	C(CCHH)(CCH)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CCHH)(CCH)(OC)	H(CCC)	117.9340	0.000	1	117.9340	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(COO)(H)	C(CH3)(CCH)(OAl)	H(CCC)	C(CCO)(COO)(H)	C(CH3)(CCH)(OAl)	H(CCC)	118.7280	0.401	6	118.7280	0.161	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(COO)(H)	C(CH3)(CCH)(OCu)	H(CCC)	C(CCO)(COO)(H)	C(CH3)(CCH)(OCu)	H(CCC)	118.1280	0.000	1	118.1280	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(COO)(H)	C(CH3)(CCH)(OFe)	H(CCC)	C(CCO)(COO)(H)	C(CH3)(CCH)(OFe)	H(CCC)	118.2280	0.204	3	118.2280	0.041	3	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(COO)(H)	C(CH3)(CCH)(ONi)	H(CCC)	C(CCO)(COO)(H)	C(CH3)(CCH)(ONi)	H(CCC)	117.3850	0.000	1	117.3850	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)(COO)(H)	C(CReCC)(CCH)(OC)	H(CCC)	C(CCO)(COO)(H)	C(CReCC)(CCH)(OC)	H(CCC)	116.1110	0.000	1	116.1110	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OAg)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OAg)	H(CCC)	116.5648	0.106	4	116.5648	0.011	4	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OCo)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OCo)	H(CCC)	117.0800	1.083	2	117.0800	1.174	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OCr)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OCr)	H(CCC)	118.1305	0.161	6	118.1305	0.026	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OCu)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OCu)	H(CCC)	117.5950	0.792	4	117.5950	0.627	4	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OFe)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OFe)	H(CCC)	117.7967	1.500	13	117.7967	2.249	13	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OIr)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OIr)	H(CCC)	114.4980	1.631	3	114.4980	2.659	3	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OMg)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OMg)	H(CCC)	117.3580	0.000	1	117.3580	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OMn)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OMn)	H(CCC)	117.6395	0.005	2	117.6395	0.000	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(ONi)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(ONi)	H(CCC)	117.0747	0.249	10	117.0747	0.062	10	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OPd)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OPd)	H(CCC)	116.1437	0.085	4	116.1437	0.007	4	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OPt)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OPt)	H(CCC)	116.2687	0.691	44	116.2687	0.477	44	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OSr)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OSr)	H(CCC)	117.4505	0.040	2	117.4505	0.002	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC3)(CCH)(OZn)	H(CCC)	C(CCO)2(H)	C(CC3)(CCH)(OZn)	H(CCC)	116.4120	0.380	4	116.4120	0.144	4	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CCCH)(CCH)(OFe)	H(CCC)	C(CCO)2(H)	C(CCCH)(CCH)(OFe)	H(CCC)	117.9960	0.110	6	117.9960	0.012	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CCCH)(CCH)(OIr)	H(CCC)	C(CCO)2(H)	C(CCCH)(CCH)(OIr)	H(CCC)	116.1480	0.000	1	116.1480	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CC[5]HH)(CCH)(OIr)	H(CCC)	C(CCO)2(H)	C(CC[5]HH)(CCH)(OIr)	H(CCC)	116.1190	0.000	1	116.1190	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OAg)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OAg)	H(CCC)	117.9690	0.006	2	117.9690	0.000	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OBa)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OBa)	H(CCC)	118.6090	0.103	4	118.6090	0.011	4	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OCo)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OCo)	H(CCC)	118.9287	1.301	59	118.9287	1.693	59	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OCr)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OCr)	H(CCC)	119.7493	0.118	6	119.7493	0.014	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OCu)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OCu)	H(CCC)	119.3624	0.788	28	119.3624	0.621	28	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OEu)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OEu)	H(CCC)	118.6928	0.625	6	118.6928	0.391	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OFe)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OFe)	H(CCC)	119.0178	0.863	39	119.0178	0.745	39	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OMn)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OMn)	H(CCC)	119.0625	1.124	69	119.0625	1.262	69	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OMo)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OMo)	H(CCC)	118.4768	0.085	6	118.4768	0.007	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(ONi)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(ONi)	H(CCC)	118.9406	1.458	44	118.9406	2.125	44	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OPd)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OPd)	H(CCC)	118.5025	0.586	46	118.5025	0.344	46	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(ORe)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(ORe)	H(CCC)	117.7120	0.000	1	117.7120	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OSm)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OSm)	H(CCC)	119.3100	0.564	6	119.3100	0.318	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CF3)(CCH)(OZn)	H(CCC)	C(CCO)2(H)	C(CF3)(CCH)(OZn)	H(CCC)	118.9220	0.444	32	118.9220	0.197	32	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OAl)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OAl)	H(CCC)	118.4321	0.329	62	118.4321	0.108	62	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OBa)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OBa)	H(CCC)	116.2340	0.513	5	116.2340	0.263	5	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OC)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OC)	H(CCC)	113.9875	1.654	2	113.9875	2.735	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OCo)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OCo)	H(CCC)	117.2920	0.738	102	117.2920	0.545	102	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OCr)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OCr)	H(CCC)	117.5055	0.272	71	117.5055	0.074	71	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OCu)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OCu)	H(CCC)	117.6825	0.377	124	117.6825	0.142	124	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OFe)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OFe)	H(CCC)	117.7136	0.306	33	117.7136	0.094	33	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OH)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OH)	H(CCC)	118.6240	1.279	6	118.6240	1.636	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OIr)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OIr)	H(CCC)	115.9775	0.808	209	115.9775	0.653	209	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OMg)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OMg)	H(CCC)	117.3943	0.328	9	117.3943	0.108	9	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OMn)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OMn)	H(CCC)	117.5667	0.383	40	117.5667	0.147	40	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OMo)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OMo)	H(CCC)	118.3004	0.513	12	118.3004	0.263	12	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(ONi)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(ONi)	H(CCC)	117.3786	1.058	112	117.3786	1.119	112	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OOs)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OOs)	H(CCC)	116.8150	0.219	9	116.8150	0.048	9	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OPd)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OPd)	H(CCC)	116.5006	0.547	84	116.5006	0.300	84	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OPt)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OPt)	H(CCC)	116.4044	0.623	173	116.4044	0.388	173	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(ORe)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(ORe)	H(CCC)	116.6004	0.731	9	116.6004	0.535	9	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(ORh)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(ORh)	H(CCC)	116.9007	0.381	51	116.9007	0.145	51	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(ORu)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(ORu)	H(CCC)	116.3756	0.654	184	116.3756	0.427	184	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OSn)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OSn)	H(CCC)	115.8035	0.018	2	115.8035	0.000	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OTi)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OTi)	H(CCC)	118.4523	0.516	3	118.4523	0.266	3	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OV)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OV)	H(CCC)	118.6535	0.081	2	118.6535	0.007	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OW)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OW)	H(CCC)	117.7240	0.872	4	117.7240	0.761	4	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCO)2(H)	C(CH3)(CCH)(OZn)	H(CCC)	C(CCO)2(H)	C(CH3)(CCH)(OZn)	H(CCC)	117.1682	0.490	44	117.1682	0.240	44	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(CF3)(CCH)(OAl)	H(CCC)	C(CC[5]O)(CCO)(H)	C(CF3)(CCH)(OAl)	H(CCC)	119.0660	0.195	2	119.0660	0.038	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(CF3)(CCH)(OCo)	H(CCC)	C(CC[5]O)(CCO)(H)	C(CF3)(CCH)(OCo)	H(CCC)	118.0200	0.410	2	118.0200	0.168	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(CF3)(CCH)(OCu)	H(CCC)	C(CC[5]O)(CCO)(H)	C(CF3)(CCH)(OCu)	H(CCC)	117.1930	0.000	1	117.1930	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(CF3)(CCH)(ONi)	H(CCC)	C(CC[5]O)(CCO)(H)	C(CF3)(CCH)(ONi)	H(CCC)	119.8235	3.651	2	119.8235	13.328	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(CH3)(CCH)(OC)	H(CCC)	C(CC[5]O)(CCO)(H)	C(CH3)(CCH)(OC)	H(CCC)	118.2330	0.000	1	118.2330	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(CH3)(CCH)(OCu)	H(CCC)	C(CC[5]O)(CCO)(H)	C(CH3)(CCH)(OCu)	H(CCC)	118.0000	0.000	1	118.0000	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5a]O)(CCO)(H)	C(CF3)(CCH)(OCu)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(CF3)(CCH)(OCu)	H(CCC)	118.5610	0.000	1	118.5610	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5a]O)(CCO)(H)	C(CF3)(CCH)(OIr)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(CF3)(CCH)(OIr)	H(CCC)	116.6910	0.000	1	116.6910	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5a]O)(CCO)(H)	C(CF3)(CCH)(ONi)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(CF3)(CCH)(ONi)	H(CCC)	118.5120	0.000	1	118.5120	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5a]O)(CCO)(H)	C(CF3)(CCH)(OPd)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(CF3)(CCH)(OPd)	H(CCC)	117.8325	0.281	2	117.8325	0.079	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5a]O)(CCO)(H)	C(CF3)(CCH)(ORu)	H(CCC)	C(CC[5a]O)(CCO)(H)	C(CF3)(CCH)(ORu)	H(CCC)	118.4080	0.000	1	118.4080	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(OCu)	H(CCC)	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(OCu)	H(CCC)	116.5743	0.330	3	116.5743	0.109	3	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(OFe)	H(CCC)	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(OFe)	H(CCC)	118.2590	0.393	3	118.2590	0.154	3	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(OH)	H(CCC)	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(OH)	H(CCC)	119.0950	0.000	1	119.0950	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(OIr)	H(CCC)	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(OIr)	H(CCC)	116.3380	0.000	1	116.3380	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(ONi)	H(CCC)	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(ONi)	H(CCC)	116.7622	3.004	8	116.7622	9.024	8	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(ORu)	H(CCC)	C(CC[6]O)(CCO)(H)	C(CH3)(CCH)(ORu)	H(CCC)	117.2005	0.422	2	117.2005	0.178	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]H)(CCO)(H)	C(CH3)(CCH)(OB)	H(CCC)	C(CC[6a]H)(CCO)(H)	C(CH3)(CCH)(OB)	H(CCC)	118.7370	0.000	1	118.7370	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]N)(CCO)(H)	C(CCFF)(CCH)(OC)	H(CCC)	C(CC[6a]N)(CCO)(H)	C(CCFF)(CCH)(OC)	H(CCC)	115.5060	0.000	1	115.5060	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(OCo)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(OCo)	H(CCC)	117.2060	0.163	2	117.2060	0.026	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(OCu)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(OCu)	H(CCC)	117.9482	0.190	9	117.9482	0.036	9	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(OFe)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(OFe)	H(CCC)	118.6295	0.162	6	118.6295	0.026	6	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(OH)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(OH)	H(CCC)	119.8250	0.000	1	119.8250	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(ONi)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(ONi)	H(CCC)	117.5264	0.714	5	117.5264	0.510	5	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(OZn)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CC3)(CCH)(OZn)	H(CCC)	116.9445	0.180	2	116.9445	0.033	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CCFF)(CCH)(OH)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CCFF)(CCH)(OH)	H(CCC)	119.7810	0.000	1	119.7810	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CCHH)(CCH)(OIr)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CCHH)(CCH)(OIr)	H(CCC)	115.5220	0.000	1	115.5220	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CCHH)(CCH)(ORh)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CCHH)(CCH)(ORh)	H(CCC)	116.7650	0.000	1	116.7650	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OCd)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OCd)	H(CCC)	116.4275	0.162	2	116.4275	0.026	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OCo)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OCo)	H(CCC)	117.8992	0.195	5	117.8992	0.038	5	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OCu)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OCu)	H(CCC)	118.4507	0.573	4	118.4507	0.328	4	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OFe)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OFe)	H(CCC)	118.8903	0.249	3	118.8903	0.062	3	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OH)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OH)	H(CCC)	119.8120	0.128	3	119.8120	0.016	3	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OMn)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OMn)	H(CCC)	115.8725	1.640	2	115.8725	2.689	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OPt)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(OPt)	H(CCC)	117.1270	0.000	1	117.1270	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(ORu)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CF3)(CCH)(ORu)	H(CCC)	118.0370	0.344	4	118.0370	0.118	4	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CFFH)(CCH)(OMn)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CFFH)(CCH)(OMn)	H(CCC)	117.5930	0.000	1	117.5930	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OCo)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OCo)	H(CCC)	117.6720	0.188	2	117.6720	0.035	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OCr)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OCr)	H(CCC)	117.8240	0.000	1	117.8240	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OCu)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OCu)	H(CCC)	117.4996	0.276	7	117.4996	0.076	7	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OMn)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OMn)	H(CCC)	116.6836	0.380	10	116.6836	0.145	10	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(ONi)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(ONi)	H(CCC)	117.0130	0.751	2	117.0130	0.564	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OPd)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OPd)	H(CCC)	116.5265	0.463	4	116.5265	0.215	4	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OPt)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OPt)	H(CCC)	116.7570	0.000	1	116.7570	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OS)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OS)	H(CCC)	117.1970	0.000	1	117.1970	0.000	1	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OZn)	H(CCC)	C(CC[6a]O)(CCO)(H)	C(CH3)(CCH)(OZn)	H(CCC)	117.1377	0.209	4	117.1377	0.044	4	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CN[5]O)(CCO)(H)	C(CH3)(CCH)(OC)	H(CCC)	C(CN[5]O)(CCO)(H)	C(CH3)(CCH)(OC)	H(CCC)	118.9200	0.417	2	118.9200	0.174	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(COsH)(CCO)(H)	C(CH3)(CCH)(OOs)	H(CCC)	C(COsH)(CCO)(H)	C(CH3)(CCH)(OOs)	H(CCC)	118.3565	1.746	2	118.3565	3.048	2	117.2803	1.797	2155	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:S-2:	C-3:	C(CCN)(CCS)(H)	C(CH3)(CCH)(SRu)	H(CCC)	C(CCN)(CCS)(H)	C(CH3)(CCH)(SRu)	H(CCC)	114.2080	0.000	1	114.2080	0.000	1	111.7726	71.299	7	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:S-2:	C-3:	C(CCO)(CCS)(H)	C(CH3)(CCH)(SIr)	H(CCC)	C(CCO)(CCS)(H)	C(CH3)(CCH)(SIr)	H(CCC)	92.6401	0.000	1	92.6401	0.000	1	111.7726	71.299	7	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:C-3:S-2:	C-3:	C(CCS)2(H)	C(CH3)(CCH)(SNi)	H(CCC)	C(CCS)2(H)	C(CH3)(CCH)(SNi)	H(CCC)	115.1120	0.114	5	115.1120	0.013	5	111.7726	71.299	7	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2H)(CCH)(OC)	H(CCC)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2H)(CCH)(OC)	H(CCC)	118.1480	0.000	1	118.1480	0.000	1	117.5253	1.264	23	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	H(CCC)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	H(CCC)	115.8905	0.336	4	115.8905	0.113	4	117.5253	1.264	23	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(ONi)	H(CCC)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(ONi)	H(CCC)	117.4871	0.275	8	117.4871	0.076	8	117.5253	1.264	23	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OAl)	H(CCC)	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OAl)	H(CCC)	119.0563	0.122	3	119.0563	0.015	3	117.5253	1.264	23	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OCo)	H(CCC)	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OCo)	H(CCC)	117.9805	0.378	2	117.9805	0.143	2	117.5253	1.264	23	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	H(CCC)	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	H(CCC)	118.0510	0.000	1	118.0510	0.000	1	117.5253	1.264	23	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:	C(CC[5]O)2(H)	C(C[5]C[5,5]C[5]H)(CCH)(OH)	H(CCC)	C(CC[5]O)2(H)	C(C[5]C[5,5]C[5]H)(CCH)(OH)	H(CCC)	119.9190	0.000	1	119.9190	0.000	1	117.5253	1.264	23	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:	C(CC[6a]N)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(OPd)	H(CCC)	C(CC[6a]N)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(OPd)	H(CCC)	116.1620	0.000	1	116.1620	0.000	1	117.5253	1.264	23	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:	C(CC[6a]O)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	H(CCC)	C(CC[6a]O)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	H(CCC)	117.1060	0.089	2	117.1060	0.008	2	117.5253	1.264	23	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	P-4:C-3:C-2:	C-3:	C(CCH)(CCP)(H)	C(PC[6a]3)(CCH)(COs)	H(CCC)	C(CCH)(CCP)(H)	C(PC[6a]3)(CCH)(COs)	H(CCC)	116.1290	1.383	2	116.1290	1.913	2	118.8083	22.493	3	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	P-4:C-3:C-2:	C-3:	C(COsC)(CCP)(H)	C(PC[6a]3)(CCH)(COs)	H(CCC)	C(COsC)(CCP)(H)	C(PC[6a]3)(CCH)(COs)	H(CCC)	124.1670	0.000	1	124.1670	0.000	1	118.8083	22.493	3	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C-3:N-3:H-1:	S-4:C-3:C-2:	C-3:	C(CCS)(NHN)(H)	C(SCOO)(CHN)(CN)	H(CCN)	C(CCS)(NHN)(H)	C(SCOO)(CHN)(CN)	H(CCN)	115.9930	0.000	1	115.9930	0.000	1	115.9930	0.000	1	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5]HH)(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5]HH)(CC[6a]H)(CN)	H(CC[6a]C)	113.7477	0.507	4	113.7477	0.257	4	113.7698	0.195	5	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HH)(CC[6a]H)(CN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HH)(CC[6a]H)(CN)	H(CC[6a]C)	113.8580	0.000	1	113.8580	0.000	1	113.7698	0.195	5	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]HO)(CC[6a]H)(NN)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]HO)(CC[6a]H)(NN)	H(CC[6a]C)	116.4060	0.000	1	116.4060	0.000	1	116.4060	0.000	1	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[5]HH)(CC[6a]H)(ONi)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[5]HH)(CC[6a]H)(ONi)	H(CC[6a]C)	117.9210	0.000	1	117.9210	0.000	1	116.7150	2.909	2	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HH)(CC[6a]H)(OCa)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HH)(CC[6a]H)(OCa)	H(CC[6a]C)	115.5090	0.000	1	115.5090	0.000	1	116.7150	2.909	2	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3,5]2H)(CC[6a]H)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3,5]2H)(CC[6a]H)(OC)	H(CC[6a]C)	114.8360	0.000	1	114.8360	0.000	1	115.2210	0.296	2	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2H)(CC[6a]H)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2H)(CC[6a]H)(OC)	H(CC[6a]C)	115.6060	0.000	1	115.6060	0.000	1	115.2210	0.296	2	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:S-2:	C-3:	C(C[6a]C[6a]2)(CC[3]S)(H)	C(C[3]C[3]2H)(CC[6a]H)(SC[5a])	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]S)(H)	C(C[3]C[3]2H)(CC[6a]H)(SC[5a])	H(CC[6a]C)	115.2440	0.000	1	115.2440	0.000	1	115.2440	0.000	1	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2Fe)(CC[6a]H)(CC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2Fe)(CC[6a]H)(CC)	H(CC[6a]C)	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:O-2:	C-3:	C(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	H(CC[6a]C)	114.6620	0.000	1	114.6620	0.000	1	114.6620	0.000	1	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	Si-4:C-3:C-2:	C-3:	C(C[6a]C[6a]2)(CSiC)(H)	C(SiC[6a]3)(CC[6a]H)(CC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiC)(H)	C(SiC[6a]3)(CC[6a]H)(CC)	H(CC[6a]C)	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	117.2456	2.137	2216	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	B[5]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(B[5]O[5]2)(CCC)(H)	C(CC[6a]HH)(CB[5]H)(CCC)	H(CB[5]C)	C(B[5]O[5]2)(CCC)(H)	C(CC[6a]HH)(CB[5]H)(CCC)	H(CB[5]C)	116.3470	0.000	2	116.3470	0.000	2	116.8517	0.764	3	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	B[5]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(B[5]O[5]2)(CCC)(H)	C(CC[6a]HO)(CB[5]H)(CCC)	H(CB[5]C)	C(B[5]O[5]2)(CCC)(H)	C(CC[6a]HO)(CB[5]H)(CCC)	H(CB[5]C)	117.8610	0.000	1	117.8610	0.000	1	116.8517	0.764	3	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	B-4:C-3:C-3:	C-3:	C(CBC)(COO)(H)	C(BC[5]HH)(CCH)(COO)	H(CCC)	C(CBC)(COO)(H)	C(BC[5]HH)(CCH)(COO)	H(CCC)	118.9040	0.000	1	118.9040	0.000	1	118.9040	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CAlH)(CCC)(H)	C(CH3)(CCH)(CCO)	H(CCC)	C(CAlH)(CCC)(H)	C(CH3)(CCH)(CCO)	H(CCC)	115.9970	0.000	1	115.9970	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CBH)(CCC)(H)	C(CH3)(CCH)(CHH)	H(CCC)	C(CBH)(CCC)(H)	C(CH3)(CCH)(CHH)	H(CCC)	116.7740	0.000	1	116.7740	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC3)(CCH)(CHN)	H(CCC)	C(CCC)(CCH)(H)	C(CC3)(CCH)(CHN)	H(CCC)	115.0275	1.503	2	115.0275	2.258	2	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCCH)(CBrC)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CCCH)(CBrC)(CCH)	H(CCC)	114.2420	0.000	1	114.2420	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCCH)(CCH)2	H(CCC)	C(CCC)(CCH)(H)	C(CCCH)(CCH)2	H(CCC)	115.4543	0.247	4	115.4543	0.061	4	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCHH)(CCH)(COO)	H(CCC)	C(CCC)(CCH)(H)	C(CCHH)(CCH)(COO)	H(CCC)	118.8650	0.000	1	118.8650	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCHH)(CCH)2	H(CCC)	C(CCC)(CCH)(H)	C(CCHH)(CCH)2	H(CCC)	116.2110	2.869	6	116.2110	8.231	6	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCHO)(CCH)(CHN)	H(CCC)	C(CCC)(CCH)(H)	C(CCHO)(CCH)(CHN)	H(CCC)	116.0840	0.000	1	116.0840	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC[6a]HN)(CCH)(CCO)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6a]HN)(CCH)(CCO)	H(CCC)	119.5170	0.000	1	119.5170	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC[6a]HN)(CC[6a]O)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CC[6a]HN)(CC[6a]O)(CCH)	H(CCC)	119.7570	0.000	1	119.7570	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CF3)(CCH)(CCO)	H(CCC)	C(CCC)(CCH)(H)	C(CF3)(CCH)(CCO)	H(CCC)	117.3120	0.000	1	117.3120	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CH3)(CCH)(CHO)	H(CCC)	C(CCC)(CCH)(H)	C(CH3)(CCH)(CHO)	H(CCC)	117.1520	0.000	1	117.1520	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CH3)(CCH)(CNO)	H(CCC)	C(CCC)(CCH)(H)	C(CH3)(CCH)(CNO)	H(CCC)	116.1756	0.966	14	116.1756	0.934	14	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CH3)(CCH)(COO)	H(CCC)	C(CCC)(CCH)(H)	C(CH3)(CCH)(COO)	H(CCC)	116.3630	0.587	3	116.3630	0.345	3	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CH3)(CCH)2	H(CCC)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	H(CCC)	116.4378	1.941	39	116.4378	3.768	39	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CHHN)(CCH)2	H(CCC)	C(CCC)(CCH)(H)	C(CHHN)(CCH)2	H(CCC)	117.2385	0.313	4	117.2385	0.098	4	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CHHO)(CCC)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CHHO)(CCC)(CCH)	H(CCC)	115.6713	0.354	6	115.6713	0.125	6	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CHHP)(CIrC)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CHHP)(CIrC)(CCH)	H(CCC)	116.6140	0.000	1	116.6140	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CN[5a]HH)(CCC)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CN[5a]HH)(CCC)(CCH)	H(CCC)	116.0710	0.127	2	116.0710	0.016	2	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCH)(H)	C(CSiHH)(CCH)2	H(CCC)	C(CCC)(CCH)(H)	C(CSiHH)(CCH)2	H(CCC)	114.7550	0.225	2	114.7550	0.051	2	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCO)(H)	C(CCCH)(CCH)2	H(CCC)	C(CCC)(CCO)(H)	C(CCCH)(CCH)2	H(CCC)	114.1788	0.321	4	114.1788	0.103	4	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CCO)(H)	C(CH3)(CCC)(CCH)	H(CCC)	C(CCC)(CCO)(H)	C(CH3)(CCC)(CCH)	H(CCC)	114.2490	0.000	1	114.2490	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CHH)(H)	C(CCCH)(CCH)(CHH)	H(CCC)	C(CCC)(CHH)(H)	C(CCCH)(CCH)(CHH)	H(CCC)	116.6350	0.000	1	116.6350	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CHH)(H)	C(CCHH)(CCH)(CHH)	H(CCC)	C(CCC)(CHH)(H)	C(CCHH)(CCH)(CHH)	H(CCC)	116.4683	0.320	3	116.4683	0.102	3	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CHH)(H)	C(CCHH)(CCH)2	H(CCC)	C(CCC)(CHH)(H)	C(CCHH)(CCH)2	H(CCC)	115.7990	0.187	2	115.7990	0.035	2	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CHH)(H)	C(CCHO)(CCH)(CHH)	H(CCC)	C(CCC)(CHH)(H)	C(CCHO)(CCH)(CHH)	H(CCC)	116.2720	0.000	1	116.2720	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CHH)(H)	C(CH3)(CCH)(CHS)	H(CCC)	C(CCC)(CHH)(H)	C(CH3)(CCH)(CHS)	H(CCC)	117.8530	0.000	1	117.8530	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CHH)(H)	C(CH3)(CCH)2	H(CCC)	C(CCC)(CHH)(H)	C(CH3)(CCH)2	H(CCC)	116.3475	0.600	2	116.3475	0.360	2	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CHN)(H)	C(CH3)(CCH)2	H(CCC)	C(CCC)(CHN)(H)	C(CH3)(CCH)2	H(CCC)	116.5650	0.000	1	116.5650	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(CHP)(H)	C(CH3)(CCH)(CHH)	H(CCC)	C(CCC)(CHP)(H)	C(CH3)(CCH)(CHH)	H(CCC)	117.5700	0.057	2	117.5700	0.003	2	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(COO)(H)	C(CC3)(CCH)(COO)	H(CCC)	C(CCC)(COO)(H)	C(CC3)(CCH)(COO)	H(CCC)	116.8480	0.000	1	116.8480	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(COO)(H)	C(CC3)(CCH)2	H(CCC)	C(CCC)(COO)(H)	C(CC3)(CCH)2	H(CCC)	116.5890	0.000	1	116.5890	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(COO)(H)	C(CCCN)(CCH)(COO)	H(CCC)	C(CCC)(COO)(H)	C(CCCN)(CCH)(COO)	H(CCC)	118.1820	0.000	1	118.1820	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(COO)(H)	C(CCHH)(CCC)(CCH)	H(CCC)	C(CCC)(COO)(H)	C(CCHH)(CCC)(CCH)	H(CCC)	117.8340	0.000	1	117.8340	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(COO)(H)	C(CCHH)(CCH)(COO)	H(CCC)	C(CCC)(COO)(H)	C(CCHH)(CCH)(COO)	H(CCC)	119.0035	1.125	4	119.0035	1.265	4	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(COO)(H)	C(CCHH)(CCH)2	H(CCC)	C(CCC)(COO)(H)	C(CCHH)(CCH)2	H(CCC)	115.6970	0.000	1	115.6970	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(COO)(H)	C(CH3)(CCH)(COO)	H(CCC)	C(CCC)(COO)(H)	C(CH3)(CCH)(COO)	H(CCC)	117.0790	0.553	10	117.0790	0.306	10	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(COO)(H)	C(CH3)(CCH)2	H(CCC)	C(CCC)(COO)(H)	C(CH3)(CCH)2	H(CCC)	117.4168	3.298	4	117.4168	10.878	4	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)2(H)	C(CC3)(CCH)(CCN)	H(CCC)	C(CCC)2(H)	C(CC3)(CCH)(CCN)	H(CCC)	115.3430	0.000	1	115.3430	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)2(H)	C(CC3)(CCH)(CCO)	H(CCC)	C(CCC)2(H)	C(CC3)(CCH)(CCO)	H(CCC)	115.2910	0.000	1	115.2910	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)2(H)	C(CC3)(CCH)(CHH)	H(CCC)	C(CCC)2(H)	C(CC3)(CCH)(CHH)	H(CCC)	102.6158	20.400	3	102.6158	416.179	3	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)2(H)	C(CC3)(CCH)(COO)	H(CCC)	C(CCC)2(H)	C(CC3)(CCH)(COO)	H(CCC)	116.7280	0.000	1	116.7280	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)2(H)	C(CC3)(CCH)2	H(CCC)	C(CCC)2(H)	C(CC3)(CCH)2	H(CCC)	116.8070	0.000	1	116.8070	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)2(H)	C(CH3)(CCH)(CCO)	H(CCC)	C(CCC)2(H)	C(CH3)(CCH)(CCO)	H(CCC)	110.4510	3.534	2	110.4510	12.490	2	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)2(H)	C(CH3)(CCH)(COO)	H(CCC)	C(CCC)2(H)	C(CH3)(CCH)(COO)	H(CCC)	114.0060	0.000	1	114.0060	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)2(H)	C(CH3)(CCH)2	H(CCC)	C(CCC)2(H)	C(CH3)(CCH)2	H(CCC)	115.1220	1.922	12	115.1220	3.694	12	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)2(H)	C(CN[5a]CH)(CCH)(CCO)	H(CCC)	C(CCC)2(H)	C(CN[5a]CH)(CCH)(CCO)	H(CCC)	115.4965	0.180	2	115.4965	0.033	2	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]Br)(CCC)(H)	C(CCHH)(CBrC)(CCH)	H(CCC)	C(CC[5]Br)(CCC)(H)	C(CCHH)(CBrC)(CCH)	H(CCC)	114.0230	0.000	1	114.0230	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]C)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CC[5]C)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	115.2892	0.757	5	115.2892	0.572	5	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]H)(CCC)(H)	C(CC3)(CCH)2	H(CCC)	C(CC[5]H)(CCC)(H)	C(CC3)(CCH)2	H(CCC)	114.5709	0.320	10	114.5709	0.103	10	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]H)(CCC)(H)	C(CCCH)(CCH)2	H(CCC)	C(CC[5]H)(CCC)(H)	C(CCCH)(CCH)2	H(CCC)	114.7777	0.333	4	114.7777	0.111	4	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]H)(CCC)(H)	C(CH3)(CCH)(CHH)	H(CCC)	C(CC[5]H)(CCC)(H)	C(CH3)(CCH)(CHH)	H(CCC)	117.1070	0.000	1	117.1070	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5a]C)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CC[5a]C)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	112.9150	0.000	1	112.9150	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5a]H)(CCC)(H)	C(CCHH)(CCH)2	H(CCC)	C(CC[5a]H)(CCC)(H)	C(CCHH)(CCH)2	H(CCC)	118.6780	0.000	1	118.6780	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5x3,5x5,20x6]H)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CC[5x3,5x5,20x6]H)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	114.4930	0.000	1	114.4930	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6]H)(CCC)(H)	C(CCHH)(CCH)(CHO)	H(CCC)	C(CC[6]H)(CCC)(H)	C(CCHH)(CCH)(CHO)	H(CCC)	114.4900	0.000	1	114.4900	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6]H)(CCC)(H)	C(CC[6a]HN)(CCH)(COO)	H(CCC)	C(CC[6]H)(CCC)(H)	C(CC[6a]HN)(CCH)(COO)	H(CCC)	114.7660	0.000	1	114.7660	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6]H)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CC[6]H)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	115.7070	2.492	7	115.7070	6.208	7	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]2)(CCC)(H)	C(CHHN)(CCC)(CCH)	H(CCC)	C(CC[6a]2)(CCC)(H)	C(CHHN)(CCC)(CCH)	H(CCC)	114.0900	0.000	1	114.0900	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CCHH)(CCH)(CHO)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CCHH)(CCH)(CHO)	H(CCC)	114.6220	0.000	1	114.6220	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	116.2810	0.000	1	116.2810	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CCHH)(CCH)2	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CCHH)(CCH)2	H(CCC)	114.2250	0.000	1	114.2250	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CH3)(CCH)(CHS)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CH3)(CCH)(CHS)	H(CCC)	115.1020	0.000	1	115.1020	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	113.5800	0.000	1	113.5800	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CHHO)(CCH)(CCO)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CHHO)(CCH)(CCO)	H(CCC)	117.4470	0.000	1	117.4470	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]H)(CCC)(H)	C(CCHH)(CCC)(CCH)	H(CCC)	C(CC[6a]H)(CCC)(H)	C(CCHH)(CCC)(CCH)	H(CCC)	117.6343	0.493	3	117.6343	0.243	3	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]H)(CCC)(H)	C(CCHH)(CCH)(CNO)	H(CCC)	C(CC[6a]H)(CCC)(H)	C(CCHH)(CCH)(CNO)	H(CCC)	116.8610	0.163	2	116.8610	0.026	2	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]H)(CCC)(H)	C(CH3)(CCC)(CCH)	H(CCC)	C(CC[6a]H)(CCC)(H)	C(CH3)(CCC)(CCH)	H(CCC)	117.9147	0.391	3	117.9147	0.153	3	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]Os)(CCC)(H)	C(CC[6a]HH)(CC[6a]C)(CCH)	H(CCC)	C(CC[6a]Os)(CCC)(H)	C(CC[6a]HH)(CC[6a]C)(CCH)	H(CCC)	116.4880	0.000	1	116.4880	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CN[5]O)(CCC)(H)	C(CF3)(CCH)(CCO)	H(CCC)	C(CN[5]O)(CCC)(H)	C(CF3)(CCH)(CCO)	H(CCC)	116.1460	0.000	1	116.1460	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CN[5]O)(CCC)(H)	C(CH3)(CCH)(CCO)	H(CCC)	C(CN[5]O)(CCC)(H)	C(CH3)(CCH)(CCO)	H(CCC)	115.2550	0.018	2	115.2550	0.000	2	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(COsC)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(COsC)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	118.2770	1.254	4	118.2770	1.574	4	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(COsH)(CCC)(H)	C(CH3)(CCH)(CHH)	H(CCC)	C(COsH)(CCC)(H)	C(CH3)(CCH)(CHH)	H(CCC)	110.2460	0.000	1	110.2460	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CP[5]C)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CP[5]C)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	115.4890	0.000	1	115.4890	0.000	1	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CSeC)(CCC)(H)	C(CCCO)(CCH)(CHH)	H(CCC)	C(CSeC)(CCC)(H)	C(CCCO)(CCH)(CHH)	H(CCC)	113.2708	0.476	4	113.2708	0.227	4	115.8416	9.716	219	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CCHH)(CCH)(NOO)	H(CCC)	C(CCH)(CCN)(H)	C(CCHH)(CCH)(NOO)	H(CCC)	117.3493	1.035	3	117.3493	1.071	3	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCH)(CCN)(H)	C(CH3)(CCH)(NOO)	H(CCC)	C(CCH)(CCN)(H)	C(CH3)(CCH)(NOO)	H(CCC)	119.7220	0.461	2	119.7220	0.213	2	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(CCO)(H)	C(CCHH)(CCH)(NCH)	H(CCC)	C(CCN)(CCO)(H)	C(CCHH)(CCH)(NCH)	H(CCC)	116.5890	3.362	2	116.5890	11.300	2	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(CCO)(H)	C(CC[6a]HH)(CCH)(NHH)	H(CCC)	C(CCN)(CCO)(H)	C(CC[6a]HH)(CCH)(NHH)	H(CCC)	117.5920	0.000	1	117.5920	0.000	1	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	H(CCC)	117.5625	1.111	11	117.5625	1.234	11	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(NHN)	H(CCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(NHN)	H(CCC)	117.7750	0.215	2	117.7750	0.046	2	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(CCO)(H)	C(CN[5a]HH)(CCH)(NCC)	H(CCC)	C(CCN)(CCO)(H)	C(CN[5a]HH)(CCH)(NCC)	H(CCC)	116.7060	0.000	1	116.7060	0.000	1	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(COO)(H)	C(CCCH)(CCH)(NCH)	H(CCC)	C(CCN)(COO)(H)	C(CCCH)(CCH)(NCH)	H(CCC)	117.0720	0.000	1	117.0720	0.000	1	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(COO)(H)	C(CCHH)(CCH)(NCH)	H(CCC)	C(CCN)(COO)(H)	C(CCHH)(CCH)(NCH)	H(CCC)	117.9660	0.000	1	117.9660	0.000	1	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(COO)(H)	C(CC[6a]CH)(CCH)(NOO)	H(CCC)	C(CCN)(COO)(H)	C(CC[6a]CH)(CCH)(NOO)	H(CCC)	116.0260	0.000	1	116.0260	0.000	1	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(COO)(H)	C(CF3)(CCH)(NCS)	H(CCC)	C(CCN)(COO)(H)	C(CF3)(CCH)(NCS)	H(CCC)	116.2543	0.521	3	116.2543	0.272	3	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(COO)(H)	C(CH3)(CCH)(NCH)	H(CCC)	C(CCN)(COO)(H)	C(CH3)(CCH)(NCH)	H(CCC)	117.9647	0.385	7	117.9647	0.148	7	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(COO)(H)	C(CH3)(CCH)(NHH)	H(CCC)	C(CCN)(COO)(H)	C(CH3)(CCH)(NHH)	H(CCC)	119.0020	0.000	1	119.0020	0.000	1	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)(COW)(H)	C(CH3)(CCH)(NCH)	H(CCC)	C(CCN)(COW)(H)	C(CH3)(CCH)(NCH)	H(CCC)	115.0720	0.000	1	115.0720	0.000	1	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCN)2(H)	C(CH3)(CCH)(NCH)	H(CCC)	C(CCN)2(H)	C(CH3)(CCH)(NCH)	H(CCC)	115.0864	1.348	10	115.0864	1.817	10	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CC[5]O)(CCN)(H)	C(CH3)(CCH)(NCH)	H(CCC)	C(CC[5]O)(CCN)(H)	C(CH3)(CCH)(NCH)	H(CCC)	118.1090	0.176	3	118.1090	0.031	3	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(CC3)(CCH)(NCC)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(CC3)(CCH)(NCC)	H(CCC)	117.0140	0.000	1	117.0140	0.000	1	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(CCHH)(CCH)(NCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(CCHH)(CCH)(NCH)	H(CCC)	117.9887	0.413	3	117.9887	0.171	3	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(CH3)(CCH)(NCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(CH3)(CCH)(NCH)	H(CCC)	117.8668	0.242	5	117.8668	0.058	5	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(CH3)(CCH)(NHN)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(CH3)(CCH)(NHN)	H(CCC)	118.0247	0.443	3	118.0247	0.197	3	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCrO)(CCN)(H)	C(CH3)(CCH)(NCH)	H(CCC)	C(CCrO)(CCN)(H)	C(CH3)(CCH)(NCH)	H(CCC)	115.0090	0.000	1	115.0090	0.000	1	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CN[5a]O)(CCN)(H)	C(CH3)(CCH)(NHH)	H(CCC)	C(CN[5a]O)(CCN)(H)	C(CH3)(CCH)(NHH)	H(CCC)	118.5350	0.000	1	118.5350	0.000	1	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CN[6]N)(CCN)(H)	C(CC3)(CCH)(NHH)	H(CCC)	C(CN[6]N)(CCN)(H)	C(CC3)(CCH)(NHH)	H(CCC)	117.1710	0.000	1	117.1710	0.000	1	117.1947	2.146	65	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C)(CC[6]H)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C)(CC[6]H)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCH)	H(CCC)	113.3800	0.000	1	113.3800	0.000	1	116.1495	15.340	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C)(COO)(H)	C(CB[4x3,4,5x5,21x6]CoH)(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C)(COO)(H)	C(CB[4x3,4,5x5,21x6]CoH)(C[6a]C[6a]2)(CCH)	H(CCC)	118.9190	0.000	1	118.9190	0.000	1	116.1495	15.340	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:N-3:C-3:	C-3:	C(CCN)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	H(CCC)	117.8740	0.000	1	117.8740	0.000	1	117.9911	0.055	7	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:N-3:C-3:	C-3:	C(CCN)(CCO)(H)	C(CC[6a]HH)(NCoC)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(CC[6a]HH)(NCoC)(CCH)	H(CCC)	117.7500	0.061	2	117.7500	0.004	2	117.9911	0.055	7	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:N-3:C-3:	C-3:	C(CCN)(CCO)(H)	C(CC[6a]HH)(NNiC)(CCH)	H(CCC)	C(CCN)(CCO)(H)	C(CC[6a]HH)(NNiC)(CCH)	H(CCC)	118.1530	0.066	2	118.1530	0.004	2	117.9911	0.055	7	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:N-3:C-3:	C-3:	C(CC[6a]O)(CCN)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	H(CCC)	C(CC[6a]O)(CCN)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	H(CCC)	118.1290	0.322	2	118.1290	0.104	2	117.9911	0.055	7	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:O-3:C-3:	C-3:	C(CCO)(COO)(H)	C(CCHH)(OZn2)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(CCHH)(OZn2)(CCH)	H(CCC)	118.1950	0.016	2	118.1950	0.000	2	118.1950	0.000	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[3]-4:C-3:C-3:	C-3:	C(CC[3]C)(COO)(H)	C(C[3]C[3]2H)(CCH)(COO)	H(CCC)	C(CC[3]C)(COO)(H)	C(C[3]C[3]2H)(CCH)(COO)	H(CCC)	116.8070	0.000	1	116.8070	0.000	1	116.8070	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[3x6]-4:C-3:C-3:	C-3:	C(CC[3x6]C)(CC[6a]H)(H)	C(C[3x6]C[6,6]3)(CCH)(CHH)	H(CCC)	C(CC[3x6]C)(CC[6a]H)(H)	C(C[3x6]C[6,6]3)(CCH)(CHH)	H(CCC)	117.4850	0.061	2	117.4850	0.004	2	117.4850	0.004	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[3x6]-4:N-3:C-3:	C-3:	C(CC[3x6]N)(CC[6a]N)(H)	C(C[3x6]C[6,6]3)(NAlSi)(CCH)	H(CCC)	C(CC[3x6]N)(CC[6a]N)(H)	C(C[3x6]C[6,6]3)(NAlSi)(CCH)	H(CCC)	116.2630	0.720	2	116.2630	0.518	2	116.2630	0.518	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2Fe)(CCC)(CCH)	H(CCC)	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2Fe)(CCC)(CCH)	H(CCC)	117.2830	0.000	1	117.2830	0.000	1	114.3952	1.813	17	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Co)(CCH)2	H(CCC)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Co)(CCH)2	H(CCC)	114.7860	0.301	2	114.7860	0.091	2	114.3952	1.813	17	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)2	H(CCC)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)2	H(CCC)	114.4189	0.411	12	114.4189	0.169	12	114.3952	1.813	17	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(CHH)(H)	C(C[5]C[5]2C)(CCC)(CCH)	H(CCC)	C(CC[5]C)(CHH)(H)	C(C[5]C[5]2C)(CCC)(CCH)	H(CCC)	110.1180	0.000	1	110.1180	0.000	1	114.3952	1.813	17	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[6a]O)(CC[5]C)(H)	C(C[5]C[5]S[5]C)(CCH)(COO)	H(CCC)	C(CC[6a]O)(CC[5]C)(H)	C(C[5]C[5]S[5]C)(CCH)(COO)	H(CCC)	114.7180	0.000	1	114.7180	0.000	1	114.3952	1.813	17	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[5]-4:C-3:N-3:	C-3:	C(CC[5]C)(CC[5]N)(H)	C(C[5]C[5]2Fe)(CCH)(NCC)	H(CCC)	C(CC[5]C)(CC[5]N)(H)	C(C[5]C[5]2Fe)(CCH)(NCC)	H(CCC)	116.8090	0.000	1	116.8090	0.000	1	117.8715	2.258	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[5]-4:C-3:N-3:	C-3:	C(CC[5]N)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(NHH)	H(CCC)	C(CC[5]N)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(NHH)	H(CCC)	118.9340	0.000	1	118.9340	0.000	1	117.8715	2.258	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(CHO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CHO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	H(CCC)	118.2153	0.021	3	118.2153	0.000	3	118.2153	0.000	3	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[5]C)(CC[6]C)(H)	C(C[6]C[6]2H)(CCH)2	H(CCC)	C(CC[5]C)(CC[6]C)(H)	C(C[6]C[6]2H)(CCH)2	H(CCC)	116.4420	0.000	1	116.4420	0.000	1	115.5838	1.855	14	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(CBrC)(H)	C(C[6]C[6,6a]2C)(CCH)2	H(CCC)	C(CC[6]C)(CBrC)(H)	C(C[6]C[6,6a]2C)(CCH)2	H(CCC)	114.3480	0.000	1	114.3480	0.000	1	115.5838	1.855	14	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)(CCO)	H(CCC)	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)(CCO)	H(CCC)	114.4988	0.063	4	114.4988	0.004	4	115.5838	1.855	14	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)2	H(CCC)	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)2	H(CCC)	116.2090	0.000	1	116.2090	0.000	1	115.5838	1.855	14	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]O)(CCH)	H(CCC)	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]O)(CCH)	H(CCC)	114.4465	0.136	2	114.4465	0.019	2	115.5838	1.855	14	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(COO)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	H(CCC)	C(CC[6]C)(COO)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	H(CCC)	115.6540	0.308	2	115.6540	0.095	2	115.5838	1.855	14	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(COO)(H)	C(C[6]C[6]2H)(CCH)(COO)	H(CCC)	C(CC[6]C)(COO)(H)	C(C[6]C[6]2H)(CCH)(COO)	H(CCC)	118.0030	0.000	1	118.0030	0.000	1	115.5838	1.855	14	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(COsC)(H)	C(C[6]C[6]2H)(CCH)2	H(CCC)	C(CC[6]C)(COsC)(H)	C(C[6]C[6]2H)(CCH)2	H(CCC)	117.4875	0.961	2	117.4875	0.923	2	115.5838	1.855	14	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C[6]-4:N-3:C-3:	C-3:	C(CC[6a]O)(CC[6]N)(H)	C(C[6]C[6]2H)(NC[6]H)(CCH)	H(CCC)	C(CC[6a]O)(CC[6]N)(H)	C(C[6]C[6]2H)(NC[6]H)(CCH)	H(CCC)	117.8570	0.156	2	117.8570	0.024	2	117.8570	0.024	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	N-4:C-3:C-3:	C-3:	C(CCH)(CCN)(H)	C(NCuCC)(CCH)(CCO)	H(CCC)	C(CCH)(CCN)(H)	C(NCuCC)(CCH)(CCO)	H(CCC)	114.1840	0.000	1	114.1840	0.000	1	114.1840	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	N[5]-4:C-3:C-3:	C-3:	C(CN[5]C)(COO)(H)	C(N[5]C[5]2O)(CCH)(COO)	H(CCC)	C(CN[5]C)(COO)(H)	C(N[5]C[5]2O)(CCH)(COO)	H(CCC)	118.6855	0.320	2	118.6855	0.103	2	118.6855	0.103	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(CCH)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	H(CCC)	C(CCH)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	H(CCC)	117.2933	1.664	3	117.2933	2.769	3	121.2361	8.996	25	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(CCP)(COO)(H)	C(PC[6a]2Mo)(CCH)(COO)	H(CCC)	C(CCP)(COO)(H)	C(PC[6a]2Mo)(CCH)(COO)	H(CCC)	118.0210	0.000	1	118.0210	0.000	1	121.2361	8.996	25	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(CCP)2(H)	C(PC[6a]3)(CCH)(CHO)	H(CCC)	C(CCP)2(H)	C(PC[6a]3)(CCH)(CHO)	H(CCC)	117.6390	0.000	1	117.6390	0.000	1	121.2361	8.996	25	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(CC[5]Ru)(CCP)(H)	C(PC[6a]3)(CRuH)(CCH)	H(CCC)	C(CC[5]Ru)(CCP)(H)	C(PC[6a]3)(CRuH)(CCH)	H(CCC)	123.0940	0.351	2	123.0940	0.123	2	121.2361	8.996	25	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(CC[6a]O)(CCP)(H)	C(PC3)(CCH)(CHH)	H(CCC)	C(CC[6a]O)(CCP)(H)	C(PC3)(CCH)(CHH)	H(CCC)	117.1395	0.217	2	117.1395	0.047	2	121.2361	8.996	25	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(CC[6a]O)(CCP)(H)	C(PC[6a]3)(CCH)(CHH)	H(CCC)	C(CC[6a]O)(CCP)(H)	C(PC[6a]3)(CCH)(CHH)	H(CCC)	117.4420	0.000	1	117.4420	0.000	1	121.2361	8.996	25	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(CClC)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	H(CCC)	C(CClC)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	H(CCC)	117.6270	0.000	1	117.6270	0.000	1	121.2361	8.996	25	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(COsC)(CCP)(H)	C(PC[6a]3)(COsC)(CCH)	H(CCC)	C(COsC)(CCP)(H)	C(PC[6a]3)(COsC)(CCH)	H(CCC)	123.4720	0.395	2	123.4720	0.156	2	121.2361	8.996	25	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(COsC)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	H(CCC)	C(COsC)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	H(CCC)	123.4068	0.719	12	123.4068	0.517	12	121.2361	8.996	25	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	S-4:C-3:C-3:	C-3:	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCH)(CCO)	H(CCC)	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCH)(CCO)	H(CCC)	114.2420	0.259	2	114.2420	0.067	2	114.6010	0.513	4	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	S-4:C-3:C-3:	C-3:	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCH)(COO)	H(CCC)	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCH)(COO)	H(CCC)	114.9600	0.979	2	114.9600	0.958	2	114.6010	0.513	4	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:N-3:H-1:	B[5,5]-4:C[6a]-3:C-3:	C-3:	C(CB[5,5]C[6a])(NCC)(H)	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	H(CCN)	C(CB[5,5]C[6a])(NCC)(H)	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	H(CCN)	117.1520	0.000	1	117.1520	0.000	1	117.1520	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(NCC)(H)	C(CC3)(CCH)(CHN)	H(CCN)	C(CCC)(NCC)(H)	C(CC3)(CCH)(CHN)	H(CCN)	119.3530	0.000	1	119.3530	0.000	1	117.3516	0.823	10	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(NCH)(H)	C(CCHH)(CHN)(COO)	H(CCN)	C(CCC)(NCH)(H)	C(CCHH)(CHN)(COO)	H(CCN)	117.0050	0.228	3	117.0050	0.052	3	117.3516	0.823	10	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(NCH)(H)	C(CC[5]CH)(CHN)(COO)	H(CCN)	C(CCC)(NCH)(H)	C(CC[5]CH)(CHN)(COO)	H(CCN)	115.7930	0.000	1	115.7930	0.000	1	117.3516	0.823	10	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(NCH)(H)	C(CF3)(CCC)(CHN)	H(CCN)	C(CCC)(NCH)(H)	C(CF3)(CCC)(CHN)	H(CCN)	118.0410	0.000	1	118.0410	0.000	1	117.3516	0.823	10	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCC)(NCH)(H)	C(CH3)(CHN)(CNO)	H(CCN)	C(CCC)(NCH)(H)	C(CH3)(CHN)(CNO)	H(CCN)	117.3285	0.095	4	117.3285	0.009	4	117.3516	0.823	10	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C-3:N-3:H-1:	C[6]-4:C-3:N-3:	C-3:	C(CC[6]N)(NCH)(H)	C(C[6]C[6]2H)(CHN)(NOO)	H(CCN)	C(CC[6]N)(NCH)(H)	C(C[6]C[6]2H)(CHN)(NOO)	H(CCN)	115.5720	0.000	1	115.5720	0.000	1	115.5720	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[5]C[5,6]Si[5])(CCC)(H)	C(CC[5,6]HH)(CC[5]H)(CHH)	H(CC[5]C)	C(C[5]C[5,6]Si[5])(CCC)(H)	C(CC[5,6]HH)(CC[5]H)(CHH)	H(CC[5]C)	113.7060	0.000	1	113.7060	0.000	1	115.1165	3.979	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCC)(H)	C(CC[5a]HH)(CC[5]H)(COO)	H(CC[5]C)	C(C[5]C[5]N[5])(CCC)(H)	C(CC[5a]HH)(CC[5]H)(COO)	H(CC[5]C)	116.5270	0.000	1	116.5270	0.000	1	115.1165	3.979	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(C[5]C[5]S[5])(CCP)(H)	C(PC[6a]3)(CC[5]H)(COsH)	H(CC[5]C)	C(C[5]C[5]S[5])(CCP)(H)	C(PC[6a]3)(CC[5]H)(COsH)	H(CC[5]C)	116.6670	0.000	1	116.6670	0.000	1	116.6670	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[5a]-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(C[5a]C[5a]O[5a])(CCN)(H)	C(CC[5a]CH)(CC[5a]H)(NOO)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCN)(H)	C(CC[5a]CH)(CC[5a]H)(NOO)	H(CC[5a]C)	117.1265	0.025	2	117.1265	0.001	2	117.1265	0.001	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[5a]-3:C-3:H-1:	C[5]-4:C-3:N-3:	C-3:	C(C[5a]C[5a]2)(CC[5]N)(H)	C(C[5]C[5]2O)(CC[5a]H)(NOO)	H(CC[5a]C)	C(C[5a]C[5a]2)(CC[5]N)(H)	C(C[5]C[5]2O)(CC[5a]H)(NOO)	H(CC[5a]C)	111.3960	0.000	1	111.3960	0.000	1	111.3960	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[5a]-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(CC[6]C)(H)	C(C[6]C[6]2H)(CC[5a]H)(CCO)	H(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[6]C)(H)	C(C[6]C[6]2H)(CC[5a]H)(CCO)	H(CC[5a]C)	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[5a]-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(CCP)(H)	C(PC[6a]3)(CC[5a]H)(CRuH)	H(CC[5a]C)	C(C[5a]C[5a]S[5a])(CCP)(H)	C(PC[6a]3)(CC[5a]H)(CRuH)	H(CC[5a]C)	118.2390	0.000	1	118.2390	0.000	1	118.2390	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(C[6]C[6]N[6])(CCP)(H)	C(PC[6a]3)(CC[6]H)(CRuH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCP)(H)	C(PC[6a]3)(CC[6]H)(CRuH)	H(CC[6]C)	116.2290	0.000	1	116.2290	0.000	1	116.2290	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5]HH)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5]HH)(CC[6a]H)(COO)	H(CC[6a]C)	115.6060	1.134	10	115.6060	1.285	10	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5a]HH)(CC[6a]H)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5a]HH)(CC[6a]H)(CCO)	H(CC[6a]C)	116.1485	0.596	4	116.1485	0.355	4	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5a]HH)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5a]HH)(CC[6a]H)(COO)	H(CC[6a]C)	114.6260	0.000	1	114.6260	0.000	1	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6]HH)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6]HH)(CC[6a]H)(COO)	H(CC[6a]C)	116.9051	1.601	9	116.9051	2.564	9	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]2H)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]2H)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	115.3640	0.000	1	115.3640	0.000	1	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]CH)(CC[6a]H)(CCC)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]CH)(CC[6a]H)(CCC)	H(CC[6a]C)	115.2775	0.224	2	115.2775	0.050	2	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]CH)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]CH)(CC[6a]H)(COO)	H(CC[6a]C)	116.3000	0.530	2	116.3000	0.281	2	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HH)(CC[6a]H)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HH)(CC[6a]H)(CCO)	H(CC[6a]C)	115.4048	1.033	5	115.4048	1.067	5	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HH)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HH)(CC[6a]H)(COO)	H(CC[6a]C)	115.9315	0.107	2	115.9315	0.011	2	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HN)(CC[6a]H)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HN)(CC[6a]H)(CCO)	H(CC[6a]C)	117.6080	0.000	1	117.6080	0.000	1	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CN[5]HH)(CC[6a]H)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CN[5]HH)(CC[6a]H)(CCO)	H(CC[6a]C)	115.1045	0.327	2	115.1045	0.107	2	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CN[5]HH)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CN[5]HH)(CC[6a]H)(COO)	H(CC[6a]C)	115.4480	0.822	5	115.4480	0.676	5	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CN[5a]CH)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CN[5a]CH)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	114.6550	0.000	1	114.6550	0.000	1	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CN[5a]CH)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CN[5a]CH)(CC[6a]H)(COO)	H(CC[6a]C)	115.7845	0.261	4	115.7845	0.068	4	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CN[5a]HH)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CN[5a]HH)(CC[6a]H)(COO)	H(CC[6a]C)	114.7080	1.025	2	114.7080	1.051	2	115.8255	1.312	51	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]C[6a]H)(CC[6a]H)(NCH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]C[6a]H)(CC[6a]H)(NCH)	H(CC[6a]C)	117.7780	0.000	1	117.7780	0.000	1	116.8673	2.225	3	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6]HP)(CC[6a]H)(NMnH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6]HP)(CC[6a]H)(NMnH)	H(CC[6a]C)	115.1460	0.000	1	115.1460	0.000	1	116.8673	2.225	3	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6]HP)(CC[6a]H)(NReH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6]HP)(CC[6a]H)(NReH)	H(CC[6a]C)	117.6780	0.000	1	117.6780	0.000	1	116.8673	2.225	3	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2H)(CC[6a]H)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2H)(CC[6a]H)(CCO)	H(CC[6a]C)	116.2880	0.000	1	116.2880	0.000	1	116.1290	0.238	3	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	H(CC[6a]C)	116.0495	0.663	2	116.0495	0.439	2	116.1290	0.238	3	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	114.2675	1.060	4	114.2675	1.124	4	114.2675	1.124	4	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2O)(CC[6a]H)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2O)(CC[6a]H)(CCO)	H(CC[6a]C)	115.9035	0.962	2	115.9035	0.926	2	115.9035	0.926	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	114.7080	0.000	1	114.7080	0.000	1	114.7080	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	P[6]-4:C[6]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]P[6])(H)	C(P[6]O[6]2O)(C[6]C[6]2)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]P[6])(H)	C(P[6]O[6]2O)(C[6]C[6]2)(CC[6a]H)	H(CC[6a]C)	113.3760	0.000	1	113.3760	0.000	1	113.3760	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	S-4:C-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	115.8190	0.000	1	115.8190	0.000	1	115.3293	0.225	4	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	S-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C(SC[6a]OO)(CC[6a]H)(CCO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C(SC[6a]OO)(CC[6a]H)(CCO)	H(CC[6a]C)	115.6470	0.000	1	115.6470	0.000	1	115.3293	0.225	4	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	S-4:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCS)(H)	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCS)(H)	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	H(CC[6a]C)	114.9255	0.097	2	114.9255	0.009	2	115.3293	0.225	4	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	N-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CC[6a]CH)(CCO)(CHN)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CC[6a]CH)(CCO)(CHN)	H(CCN)	122.3550	0.000	1	122.3550	0.000	1	118.3090	7.660	4	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	N-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CC[6a]CH)(CC[6a]O)(CHN)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CC[6a]CH)(CC[6a]O)(CHN)	H(CCN)	116.2650	0.000	1	116.2650	0.000	1	118.3090	7.660	4	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	N-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(H)	C(CF3)(CHN)(COO)	H(CCN)	C(NC[6a]H)(CCC)(H)	C(CF3)(CHN)(COO)	H(CCN)	117.7710	0.000	1	117.7710	0.000	1	118.3090	7.660	4	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	N-3:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(NNiC)(CCC)(H)	C(CC[6a]HH)(CHN)(COO)	H(CCN)	C(NNiC)(CCC)(H)	C(CC[6a]HH)(CHN)(COO)	H(CCN)	116.8450	0.000	1	116.8450	0.000	1	118.3090	7.660	4	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	N-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:	C(NC[6a]C)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	H(CCN)	C(NC[6a]C)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	H(CCN)	114.5960	0.000	1	114.5960	0.000	1	115.0730	0.315	3	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	N-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:	C(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	H(CCN)	C(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	H(CCN)	115.3115	0.537	2	115.3115	0.288	2	115.0730	0.315	3	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	N[6]-3:C-3:H-1:	S-4:C-3:C-3:	C-3:	C(N[6]C[6]2)(CCS)(H)	C(SC[6a]OO)(CN[6]H)(CNO)	H(CN[6]C)	C(N[6]C[6]2)(CCS)(H)	C(SC[6a]OO)(CN[6]H)(CNO)	H(CN[6]C)	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:3:	3:	P-3:C-3:H-1:	Si-4:C-3:C-3:	C-3:	C(PC[6a]Li)(CSiC)(H)	C(SiC3)(CCO)(CHP)	H(CCP)	C(PC[6a]Li)(CSiC)(H)	C(SiC3)(CCO)(CHP)	H(CCP)	114.4305	0.088	2	114.4305	0.008	2	114.4305	0.008	2	116.3668	7.706	474	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[5a]-3:C-3:H-1:	C-4:C-3:C-4:	C-3:	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5]HH)(CC[5a]H)(CH3)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CC[5]HH)(CC[5a]H)(CH3)	H(CC[5a]C)	114.6268	0.728	4	114.6268	0.530	4	114.6268	0.530	4	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[5a]-3:C-3:H-1:	C[6]-4:C-3:C-4:	C-3:	C(C[5a]C[5a]O[5a])(CC[6]C)(H)	C(C[6]N[6]2H)(CC[5a]H)(CH3)	H(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[6]C)(H)	C(C[6]N[6]2H)(CC[5a]H)(CH3)	H(CC[5a]C)	116.4815	0.209	2	116.4815	0.044	2	116.4815	0.044	2	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6]-3:C-3:H-1:	P-4:C-3:C-4:	C-3:	C(C[6]C[6]N[6])(CCP)(H)	C(PC[6a]3)(CC[6]H)(CRuCH)	H(CC[6]C)	C(C[6]C[6]N[6])(CCP)(H)	C(PC[6a]3)(CC[6]H)(CRuCH)	H(CC[6]C)	115.1765	0.337	2	115.1765	0.114	2	115.1765	0.114	2	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	B-4:C-3:Si-4:	C-3:	C(C[6a]C[6a]2)(CSiB)(H)	C(BC[5]HH)(CC[6a]H)(SiC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiB)(H)	C(BC[5]HH)(CC[6a]H)(SiC3)	H(CC[6a]C)	114.9470	0.000	1	114.9470	0.000	1	114.9470	0.000	1	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5]HH)(CC[6a]H)(CHHO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5]HH)(CC[6a]H)(CHHO)	H(CC[6a]C)	114.2530	1.639	2	114.2530	2.687	2	114.4990	1.525	3	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5]HN)(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5]HN)(CC[6a]H)(CH3)	H(CC[6a]C)	114.9910	0.000	1	114.9910	0.000	1	114.4990	1.525	3	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	C[4]-4:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[4]C)(H)	C(C[4]C[4]N[4]H)(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[4]C)(H)	C(C[4]C[4]N[4]H)(CC[6a]H)(CH3)	H(CC[6a]C)	115.1580	0.000	1	115.1580	0.000	1	115.1580	0.000	1	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5,5]C[5]O)(CC[6a]H)(CCHH)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5,5]C[5]O)(CC[6a]H)(CCHH)	H(CC[6a]C)	115.6790	0.000	1	115.6790	0.000	1	115.9435	0.071	4	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(CH3)	H(CC[6a]C)	116.0740	0.000	1	116.0740	0.000	1	115.9435	0.071	4	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2H)(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2H)(CC[6a]H)(CH3)	H(CC[6a]C)	116.2530	0.000	1	116.2530	0.000	1	115.9435	0.071	4	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[6a]C[5]N[5])(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[6a]C[5]N[5])(CC[6a]H)(CH3)	H(CC[6a]C)	115.7680	0.000	1	115.7680	0.000	1	115.9435	0.071	4	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2H)(CC[6a]H)(CH3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2H)(CC[6a]H)(CH3)	H(CC[6a]C)	115.1770	0.000	1	115.1770	0.000	1	115.1770	0.000	1	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	Ga[4]-4:C-3:Si-4:	C-3:	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	H(CC[6a]C)	116.0518	0.933	14	116.0518	0.870	14	116.0518	0.870	14	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	P-4:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCP)(H)	C(PC[6]HO)(CC[6a]H)(CC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCP)(H)	C(PC[6]HO)(CC[6a]H)(CC3)	H(CC[6a]C)	115.8290	0.000	1	115.8290	0.000	1	115.2764	5.183	5	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	P-4:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCP)(H)	C(PC[6]OP)(CC[6a]H)(CC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCP)(H)	C(PC[6]OP)(CC[6a]H)(CC3)	H(CC[6a]C)	113.9007	0.992	3	113.9007	0.985	3	115.2764	5.183	5	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	P-4:C-3:C-4:	C-3:	C(C[6a]C[6a]2)(CCP)(H)	C(PC[6a]2O)(CC[6a]H)(CHHO)	H(CC[6a]C)	C(C[6a]C[6a]2)(CCP)(H)	C(PC[6a]2O)(CC[6a]H)(CHHO)	H(CC[6a]C)	118.8510	0.000	1	118.8510	0.000	1	115.2764	5.183	5	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	C[6a]-3:C-3:H-1:	P-4:C-3:Si-4:	C-3:	C(C[6a]C[6a]2)(CSiP)(H)	C(PC[6a]OO)(CC[6a]H)(SiC3)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSiP)(H)	C(PC[6a]OO)(CC[6a]H)(SiC3)	H(CC[6a]C)	116.7340	0.000	1	116.7340	0.000	1	116.7340	0.000	1	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	N[5]-3:C-3:H-1:	Ge-4:C-3:C-4:	C-3:	C(N[5]C[5]2)(CGeC)(H)	C(GeC[6a]3)(CN[5]H)(CF3)	H(CN[5]C)	C(N[5]C[5]2)(CGeC)(H)	C(GeC[6a]3)(CN[5]H)(CF3)	H(CN[5]C)	116.5140	0.380	2	116.5140	0.145	2	116.5140	0.145	2	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:3:4:	3:	N[5]-3:C-3:H-1:	N-4:C-3:C-4:	C-3:	C(N[5]C[5]N[5])(CCN)(H)	C(NLi2Si)(CN[5]H)(CC3)	H(CN[5]C)	C(N[5]C[5]N[5])(CCN)(H)	C(NLi2Si)(CN[5]H)(CC3)	H(CN[5]C)	117.7600	0.000	1	117.7600	0.000	1	117.7600	0.000	1	115.6830	1.463	41	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCCH)(CCHH)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CCCH)(CCHH)(CCH)	H(CCC)	116.5430	0.000	1	116.5430	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCCH)(CH3)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CCCH)(CH3)(CCH)	H(CCC)	118.7140	0.008	2	118.7140	0.000	2	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCCO)(CCHH)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CCCO)(CCHH)(CCH)	H(CCC)	116.9645	0.746	2	116.9645	0.557	2	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	116.8970	0.218	2	116.8970	0.047	2	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	117.1295	0.962	2	117.1295	0.926	2	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CCH)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	C(CCC)(CCH)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	116.4480	0.000	1	116.4480	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CCO)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CCC)(CCO)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	116.5537	0.901	4	116.5537	0.812	4	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CCO)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	C(CCC)(CCO)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	116.4420	0.000	1	116.4420	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CCO)(H)	C(CH3)2(CCH)	H(CCC)	C(CCC)(CCO)(H)	C(CH3)2(CCH)	H(CCC)	116.2233	0.211	3	116.2233	0.045	3	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CNN)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CCC)(CNN)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	118.7855	0.981	2	118.7855	0.962	2	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CNN)(H)	C(CC[6a]CH)(CH3)(CCH)	H(CCC)	C(CCC)(CNN)(H)	C(CC[6a]CH)(CH3)(CCH)	H(CCC)	118.8250	0.000	1	118.8250	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CNO)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CCC)(CNO)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	116.8457	0.707	3	116.8457	0.500	3	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(CNO)(H)	C(CH3)2(CCH)	H(CCC)	C(CCC)(CNO)(H)	C(CH3)2(CCH)	H(CCC)	116.6370	0.000	1	116.6370	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(COO)(H)	C(CCCO)(CH3)(CCH)	H(CCC)	C(CCC)(COO)(H)	C(CCCO)(CH3)(CCH)	H(CCC)	116.9390	0.000	1	116.9390	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(COO)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CCC)(COO)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	116.8579	1.160	28	116.8579	1.345	28	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(COO)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	C(CCC)(COO)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	116.3740	0.255	2	116.3740	0.065	2	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)(COO)(H)	C(CH3)2(CCH)	H(CCC)	C(CCC)(COO)(H)	C(CH3)2(CCH)	H(CCC)	116.8777	1.283	6	116.8777	1.646	6	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)2(H)	C(CCHH)(CC3)(CCH)	H(CCC)	C(CCC)2(H)	C(CCHH)(CC3)(CCH)	H(CCC)	141.0130	0.000	1	141.0130	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)2(H)	C(CC[6a]CH)(CH3)(CCH)	H(CCC)	C(CCC)2(H)	C(CC[6a]CH)(CH3)(CCH)	H(CCC)	116.5440	0.000	1	116.5440	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCC)2(H)	C(CMnHH)(CC3)(CCH)	H(CCC)	C(CCC)2(H)	C(CMnHH)(CC3)(CCH)	H(CCC)	115.8855	0.547	2	115.8855	0.299	2	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5]H)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[5]H)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.3930	0.000	1	116.3930	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5]O)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CC[5]O)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	116.9230	0.000	1	116.9230	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6]O)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CC[6]O)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	117.1630	0.000	1	117.1630	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6a]C)(CCC)(H)	C(CCHH)2(CCH)	H(CCC)	C(CC[6a]C)(CCC)(H)	C(CCHH)2(CCH)	H(CCC)	117.1850	0.000	1	117.1850	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6a]O)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[6a]O)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	117.3937	0.390	3	117.3937	0.152	3	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6a]O)(CCC)(H)	C(CHHN)(CH3)(CCH)	H(CCC)	C(CC[6a]O)(CCC)(H)	C(CHHN)(CH3)(CCH)	H(CCC)	117.3580	0.000	1	117.3580	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CMoH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CMoH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	115.7990	0.000	1	115.7990	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CRuC)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CRuC)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	119.3940	0.000	1	119.3940	0.000	1	117.2631	8.723	76	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[5,6]-4:C-4:C-3:	C-3:	C(CC[5,6]C)(CC[6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCH)	H(CCC)	C(CC[5,6]C)(CC[6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCH)	H(CCC)	117.0775	0.309	2	117.0775	0.095	2	116.1428	0.760	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[5,6]-4:C-4:C-3:	C-3:	C(CC[5,6]C)(CC[6]O)(H)	C(C[5,6]C[5,6]C[6,6]C[5])(CH3)(CCH)	H(CCC)	C(CC[5,6]C)(CC[6]O)(H)	C(C[5,6]C[5,6]C[6,6]C[5])(CH3)(CCH)	H(CCC)	115.5197	0.128	3	115.5197	0.016	3	116.1428	0.760	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2C)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2C)(CH3)(CCH)	H(CCC)	115.8750	0.000	1	115.8750	0.000	1	116.5878	0.719	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)	H(CCC)	116.6870	0.000	1	116.6870	0.000	1	116.5878	0.719	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]O[5]O)(CC[6a]CH)(CCH)	H(CCC)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]O[5]O)(CC[6a]CH)(CCH)	H(CCC)	115.7010	0.000	1	115.7010	0.000	1	116.5878	0.719	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CC[5]N)(H)	C(C[5]C[5]2Fe)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CC[5]N)(H)	C(C[5]C[5]2Fe)(CH3)(CCH)	H(CCC)	116.8650	0.000	1	116.8650	0.000	1	116.5878	0.719	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[6a]O)(CC[5]C)(H)	C(C[5]C[5]2W)(CCHH)(CCH)	H(CCC)	C(CC[6a]O)(CC[5]C)(H)	C(C[5]C[5]2W)(CCHH)(CCH)	H(CCC)	117.8110	0.000	1	117.8110	0.000	1	116.5878	0.719	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]HO)(CCH)	H(CCC)	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]HO)(CCH)	H(CCC)	114.3680	0.000	1	114.3680	0.000	1	116.2732	1.561	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CCO)(H)	C(C[6]C[5,6]C[6]H)(CH3)(CCH)	H(CCC)	C(CC[6]C)(CCO)(H)	C(C[6]C[5,6]C[6]H)(CH3)(CCH)	H(CCC)	115.7390	0.000	1	115.7390	0.000	1	116.2732	1.561	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CCO)(H)	C(C[6]C[6]2H)(CH3)(CCH)	H(CCC)	C(CC[6]C)(CCO)(H)	C(C[6]C[6]2H)(CH3)(CCH)	H(CCC)	116.9610	0.000	1	116.9610	0.000	1	116.2732	1.561	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(COO)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(CCH)	H(CCC)	C(CC[6]C)(COO)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(CCH)	H(CCC)	116.7480	0.000	1	116.7480	0.000	1	116.2732	1.561	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(COO)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	H(CCC)	C(CC[6]C)(COO)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	H(CCC)	117.5500	0.000	1	117.5500	0.000	1	116.2732	1.561	5	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	N-4:C-4:C-3:	C-3:	C(CCN)2(H)	C(NC[6a]Li2)(CH3)(CCH)	H(CCC)	C(CCN)2(H)	C(NC[6a]Li2)(CH3)(CCH)	H(CCC)	115.7025	0.093	2	115.7025	0.009	2	115.7025	0.009	2	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	O-4:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(OCo2Li)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(OCo2Li)(CH3)(CCH)	H(CCC)	116.7930	0.000	1	116.7930	0.000	1	116.7567	0.035	4	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	O-4:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(OFe2Li)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(OFe2Li)(CH3)(CCH)	H(CCC)	116.9830	0.000	1	116.9830	0.000	1	116.7567	0.035	4	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	O-4:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(OLiMg2)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(OLiMg2)(CH3)(CCH)	H(CCC)	116.5320	0.000	1	116.5320	0.000	1	116.7567	0.035	4	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	O-4:C-4:C-3:	C-3:	C(CCO)(COO)(H)	C(OLiNi2)(CH3)(CCH)	H(CCC)	C(CCO)(COO)(H)	C(OLiNi2)(CH3)(CCH)	H(CCC)	116.7190	0.000	1	116.7190	0.000	1	116.7567	0.035	4	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	P[5]-4:C-4:C-3:	C-3:	C(CP[5]C)(CCC)(H)	C(P[5]C[5]2Au)(CH3)(CCH)	H(CCC)	C(CP[5]C)(CCC)(H)	C(P[5]C[5]2Au)(CH3)(CCH)	H(CCC)	115.4960	0.000	1	115.4960	0.000	1	115.4960	0.000	1	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:C-3:H-1:	S-4:C-4:C-3:	C-3:	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCCH)(CCH)	H(CCC)	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCCH)(CCH)	H(CCC)	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C-3:N-3:H-1:	C-4:S-4:C-3:	C-3:	C(CCS)(NCC)(H)	C(CC[5a]CH)(SC[6a]OO)(CHN)	H(CCN)	C(CCS)(NCC)(H)	C(CC[5a]CH)(SC[6a]OO)(CHN)	H(CCN)	116.2360	0.000	1	116.2360	0.000	1	116.2360	0.000	1	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C[6a]-3:C-3:H-1:	C[6]-4:C-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2H)(CC[6a]HH)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2H)(CC[6a]HH)(CC[6a]H)	H(CC[6a]C)	113.9320	0.000	1	113.9320	0.000	1	113.9320	0.000	1	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C[6a]-3:C-3:H-1:	C[6]-4:P-4:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]P)(H)	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]P)(H)	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	H(CC[6a]C)	112.9170	0.000	1	112.9170	0.000	1	112.9170	0.000	1	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C[6a]-3:C-3:H-1:	P-4:P-4:C-3:	C-3:	C(C[6a]C[6a]2)(CPP)(H)	C(PC[6a]2N)2(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CPP)(H)	C(PC[6a]2N)2(CC[6a]H)	H(CC[6a]C)	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	C[6a]-3:C-3:H-1:	S-4:S-4:C-3:	C-3:	C(C[6a]C[6a]2)(CSS)(H)	C(SC[6a]OO)2(CC[6a]H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CSS)(H)	C(SC[6a]OO)2(CC[6a]H)	H(CC[6a]C)	111.7920	0.000	1	111.7920	0.000	1	111.7920	0.000	1	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	4:4:3:	3:	N-3:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(NC[6a]Ru)(CCC)(H)	C(CH3)2(CHN)	H(CCN)	C(NC[6a]Ru)(CCC)(H)	C(CH3)2(CHN)	H(CCN)	115.7310	0.000	1	115.7310	0.000	1	115.7310	0.000	1	116.8815	7.189	105	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	5:3:1:	3:	C[6a]-3:C-3:H-1:	P-5:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CHP)(H)	C(PC[5]C[6]Fe2)(CC[6a]H)(H)	H(CC[6a]C)	C(C[6a]C[6a]2)(CHP)(H)	C(PC[5]C[6]Fe2)(CC[6a]H)(H)	H(CC[6a]C)	117.2480	0.000	1	117.2480	0.000	1	117.2480	0.000	1	117.2480	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:1:	3:	C-3:C-3:H-1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C-3:	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	H(CCC)	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	H(CCC)	117.6273	1.455	7	117.6273	2.118	7	117.2860	1.345	14	116.6020	2.372	21	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:1:	3:	C-3:C-3:H-1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C-3:	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	H(CCC)	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	H(CCC)	116.8280	0.717	6	116.8280	0.515	6	117.2860	1.345	14	116.6020	2.372	21	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:1:	3:	C-3:C-3:H-1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C-3:	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(CCH)(H)	H(CCC)	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(CCH)(H)	H(CCC)	117.6450	0.000	1	117.6450	0.000	1	117.2860	1.345	14	116.6020	2.372	21	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:1:	3:	C-3:C-3:H-1:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:	C(CC[5x3,5x5,20x6]H)(CCC)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	H(CCC)	C(CC[5x3,5x5,20x6]H)(CCC)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	H(CCC)	114.4880	0.000	1	114.4880	0.000	1	114.3105	0.202	4	116.6020	2.372	21	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:1:	3:	C-3:C-3:H-1:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:	C(CC[5x3,5x5,20x6]H)(CCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	H(CCC)	C(CC[5x3,5x5,20x6]H)(CCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	H(CCC)	113.8010	0.000	1	113.8010	0.000	1	114.3105	0.202	4	116.6020	2.372	21	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:1:	3:	C-3:C-3:H-1:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	H(CCC)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	H(CCC)	114.4765	0.508	2	114.4765	0.258	2	114.3105	0.202	4	116.6020	2.372	21	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:1:	3:	C-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C-3:	C(CB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	H(CC[6a]C)	C(CB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	H(CC[6a]C)	115.3860	0.000	1	115.3860	0.000	1	115.3860	0.000	1	116.6020	2.372	21	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:1:	3:	C-3:C[6a]-3:H-1:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:	C(CC[5x3,5x5,20x6]H)(C[6a]C[6a,6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	H(CC[6a]C)	C(CC[5x3,5x5,20x6]H)(C[6a]C[6a,6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	H(CC[6a]C)	117.0050	0.040	2	117.0050	0.002	2	117.0050	0.002	2	116.6020	2.372	21	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:2:	3:	C-3:C-3:H-1:	C[5x3,5x5,20x6]-6:C-3:O-2:	C-3:	C(CC[5x3,5x5,20x6]O)(CCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(OC)	H(CCC)	C(CC[5x3,5x5,20x6]O)(CCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(OC)	H(CCC)	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:3:	3:	C-3:C-3:H-1:	B[5x3,5x5,20x6]-6:C-3:C-3:	C-3:	C(CB[5x3,5x5,20x6]C)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	H(CCC)	C(CB[5x3,5x5,20x6]C)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	H(CCC)	116.3190	0.000	1	116.3190	0.000	1	116.3190	0.000	1	115.2456	0.540	13	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:3:	3:	C-3:C[5a]-3:H-1:	C[5x3,5x5,20x6]-6:C-3:C-3:	C-3:	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	H(CC[5a]C)	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	H(CC[5a]C)	115.8740	0.000	1	115.8740	0.000	1	115.5945	0.156	2	115.2456	0.540	13	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:3:	3:	C-3:C[5a]-3:H-1:	C[5x3,5x5,20x6]-6:C-3:C-3:	C-3:	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]S[5a])(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	H(CC[5a]C)	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]S[5a])(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	H(CC[5a]C)	115.3150	0.000	1	115.3150	0.000	1	115.5945	0.156	2	115.2456	0.540	13	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:3:	3:	C-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	C-3:	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	114.7570	0.000	1	114.7570	0.000	1	114.3180	0.147	4	115.2456	0.540	13	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:3:	3:	C-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	C-3:	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]C)	114.1717	0.303	3	114.1717	0.092	3	114.3180	0.147	4	115.2456	0.540	13	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:3:1:	6:3:3:	3:	C-3:C[6a]-3:H-1:	C[5x3,5x5,20x6]-6:C-3:C-3:	C-3:	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	H(CC[6a]C)	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	H(CC[6a]C)	115.5688	0.289	6	115.5688	0.084	6	115.5688	0.084	6	115.2456	0.540	13	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:2:3:	3:	C-3:C-4:H-1:	C[6a]-3:O-2:C-3:	C-3:	C(CC[6a]O)(CCHO)(H)	C(C[6a]C[6a]2)(OC[5a])(CCH)	H(CCC)	C(CC[6a]O)(CCHO)(H)	C(C[6a]C[6a]2)(OC[5a])(CCH)	H(CCC)	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	115.8663	4.671	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:2:3:	3:	C-3:C-4:H-1:	C[6a]-3:S-2:C-3:	C-3:	C(CC[6a]S)(CF3)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	H(CCC)	C(CC[6a]S)(CF3)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	H(CCC)	117.5490	0.000	1	117.5490	0.000	1	117.5490	0.000	1	115.8663	4.671	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:2:3:	3:	C-3:P-4:H-1:	C[6a]-3:O-2:C-3:	C-3:	C(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(ON[5])(CHP)	H(CCP)	C(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(ON[5])(CHP)	H(CCP)	116.6210	0.000	1	116.6210	0.000	1	116.6210	0.000	1	115.8663	4.671	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	B[5]-3:C-3:Br-1:	C-3:	C(CB[5]Br)(CCHH)(H)	C(B[5]O[5]2)(CCH)(Br)	H(CCC)	C(CB[5]Br)(CCHH)(H)	C(B[5]O[5]2)(CCH)(Br)	H(CCC)	115.4600	0.000	1	115.4600	0.000	1	115.4600	0.000	1	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	B[5]-3:C-3:H-1:	C-3:	C(CB[5]H)(CC3)(H)	C(B[5]C[5,6a]2)(CCH)(H)	H(CCC)	C(CB[5]H)(CC3)(H)	C(B[5]C[5,6a]2)(CCH)(H)	H(CCC)	115.8130	0.000	1	115.8130	0.000	1	115.8130	0.000	1	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C-3:N-3:Cl-1:	C-3:	C(CClN)(CH3)(H)	C(CCH)(NCS)(Cl)	H(CCC)	C(CClN)(CH3)(H)	C(CCH)(NCS)(Cl)	H(CCC)	117.8450	0.000	1	117.8450	0.000	1	117.8450	0.000	1	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[4]-3:C-3:H-1:	C-3:	C(CC[4]H)(CC3)(H)	C(C[4]B[4]C[4])(CCH)(H)	H(CCC)	C(CC[4]H)(CC3)(H)	C(C[4]B[4]C[4])(CCH)(H)	H(CCC)	115.6723	0.523	3	115.6723	0.273	3	116.1623	1.142	4	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[4]-3:C-3:H-1:	C-3:	C(CC[4]H)(CCHH)(H)	C(C[4]B[4]C[4])(CCH)(H)	H(CCC)	C(CC[4]H)(CCHH)(H)	C(C[4]B[4]C[4])(CCH)(H)	H(CCC)	117.6320	0.000	1	117.6320	0.000	1	116.1623	1.142	4	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CC3)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CC3)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	116.5540	0.000	1	116.5540	0.000	1	117.6625	0.972	8	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	116.6855	0.460	2	116.6855	0.212	2	117.6625	0.972	8	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]N[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]N[5])(CCH)(H)	H(CCC)	118.8310	0.430	2	118.8310	0.185	2	117.6625	0.972	8	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CH3)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CH3)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	118.3230	0.000	1	118.3230	0.000	1	117.6625	0.972	8	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CHHN)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CHHN)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	117.6950	0.320	2	117.6950	0.102	2	117.6625	0.972	8	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:C-3:Cl-1:	C-3:	C(CC[5a]Cl)(CH3)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(Cl)	H(CCC)	C(CC[5a]Cl)(CH3)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(Cl)	H(CCC)	116.8370	0.000	1	116.8370	0.000	1	116.8370	0.000	1	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCHH)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CCHH)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	116.9585	0.357	2	116.9585	0.128	2	117.8112	1.302	13	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCHH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CCHH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	118.9545	0.177	2	118.9545	0.032	2	117.8112	1.302	13	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CCHO)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CCHO)(H)	C(C[5a]C[5a]2)(CCH)(H)	H(CCC)	118.9220	0.000	1	118.9220	0.000	1	117.8112	1.302	13	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CH3)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CH3)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	H(CCC)	116.6230	0.000	1	116.6230	0.000	1	117.8112	1.302	13	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CH3)(H)	C(C[5a]N[5a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CH3)(H)	C(C[5a]N[5a]2)(CCH)(H)	H(CCC)	116.4565	0.924	2	116.4565	0.854	2	117.8112	1.302	13	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CHHN)(H)	C(C[5a]C[5a,6a]2)(CCH)(H)	H(CCC)	C(CC[5a]H)(CHHN)(H)	C(C[5a]C[5a,6a]2)(CCH)(H)	H(CCC)	117.8030	0.000	1	117.8030	0.000	1	117.8112	1.302	13	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CHHN)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CHHN)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	119.8280	0.000	1	119.8280	0.000	1	117.8112	1.302	13	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CHHN)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CHHN)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	117.8360	0.362	2	117.8360	0.131	2	117.8112	1.302	13	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(CHHS)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5a]H)(CHHS)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	117.9590	0.000	1	117.9590	0.000	1	117.8112	1.302	13	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCCO)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCCO)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	116.1910	0.191	2	116.1910	0.036	2	116.9964	0.821	14	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	H(CCC)	116.6090	0.000	1	116.6090	0.000	1	116.9964	0.821	14	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	115.8375	0.046	2	115.8375	0.002	2	116.9964	0.821	14	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	118.4320	0.000	1	118.4320	0.000	1	116.9964	0.821	14	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CH3)(H)	C(C[6]C[6,6]C[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CH3)(H)	C(C[6]C[6,6]C[6])(CCH)(H)	H(CCC)	116.9685	0.647	4	116.9685	0.419	4	116.9964	0.821	14	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CH3)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6]H)(CH3)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	117.4100	0.000	1	117.4100	0.000	1	116.9964	0.821	14	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CH3)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	C(CC[6]H)(CH3)(H)	C(C[6]C[6]O[6])(CCH)(H)	H(CCC)	117.5095	0.261	2	117.5095	0.068	2	116.9964	0.821	14	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(CHOP)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6]H)(CHOP)(H)	C(C[6]C[6]2)(CCH)(H)	H(CCC)	118.5490	0.000	1	118.5490	0.000	1	116.9964	0.821	14	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:Br-1:	C-3:	C(CC[6a]Br)(CC3)(H)	C(C[6a]C[6a]2)(CCH)(Br)	H(CCC)	C(CC[6a]Br)(CC3)(H)	C(C[6a]C[6a]2)(CCH)(Br)	H(CCC)	114.7750	0.000	1	114.7750	0.000	1	114.7750	0.000	1	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CC3)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CC3)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	116.6825	0.151	2	116.6825	0.023	2	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.5222	0.950	32	117.5222	0.903	32	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	114.9545	1.962	2	114.9545	3.850	2	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.1170	0.938	21	118.1170	0.881	21	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCFF)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCFF)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	120.5857	2.837	4	120.5857	8.048	4	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCFH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCFH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.6192	0.863	5	117.6192	0.745	5	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	116.1493	1.135	3	116.1493	1.288	3	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.5892	1.614	39	117.5892	2.605	39	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.7643	1.150	24	117.7643	1.322	24	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.6903	2.545	14	117.6903	6.478	14	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCHP)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCHP)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.0512	2.743	4	119.0512	7.524	4	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCHS)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCHS)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.6012	0.587	4	117.6012	0.344	4	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CCdOO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CCdOO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	127.0720	0.000	1	127.0720	0.000	1	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.2133	0.761	8	118.2133	0.580	8	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CH3)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CH3)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	H(CCC)	118.5425	0.288	2	118.5425	0.083	2	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.4134	1.371	8	117.4134	1.880	8	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]O[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]O[6a])(CCH)(H)	H(CCC)	116.6385	1.695	2	116.6385	2.873	2	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHHN)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CHHN)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	H(CCC)	118.2040	0.000	1	118.2040	0.000	1	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.8403	0.992	25	117.8403	0.984	25	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.2056	0.526	7	117.2056	0.277	7	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHHS)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CHHS)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	117.4220	0.000	1	117.4220	0.000	1	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHHS)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHHS)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.4210	0.000	1	118.4210	0.000	1	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHOP)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHOP)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.7750	0.000	1	117.7750	0.000	1	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CHSS)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CHSS)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.4300	0.000	1	118.4300	0.000	1	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CNiCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CNiCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	116.8570	0.000	1	116.8570	0.000	1	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CNiOO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CNiOO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.6400	0.000	1	119.6400	0.000	1	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(COOU)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(COOU)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	119.1630	0.366	3	119.1630	0.134	3	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CPdCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CPdCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.6200	0.000	1	118.6200	0.000	1	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CSeHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]H)(CSeHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.9010	0.000	1	117.9010	0.000	1	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(CSiHO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	C(CC[6a]H)(CSiHO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	117.2810	0.000	1	117.2810	0.000	1	117.8039	2.465	220	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(CCCH)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	C(CN[5]H)(CCCH)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	116.5000	0.000	1	116.5000	0.000	1	119.5367	5.389	9	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(CCHH)(H)	C(N[5]C[3x5]C[5])(CCH)(H)	H(CCC)	C(CN[5]H)(CCHH)(H)	C(N[5]C[3x5]C[5])(CCH)(H)	H(CCC)	125.1190	0.000	1	125.1190	0.000	1	119.5367	5.389	9	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(CCHH)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	C(CN[5]H)(CCHH)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	118.9756	0.420	5	118.9756	0.177	5	119.5367	5.389	9	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(CHHN)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	C(CN[5]H)(CHHN)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	119.2120	0.000	1	119.2120	0.000	1	119.5367	5.389	9	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CN[5]H)(CHHO)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)	H(CCC)	C(CN[5]H)(CHHO)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)	H(CCC)	120.1210	0.000	1	120.1210	0.000	1	119.5367	5.389	9	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(CN[5a]H)(CH3)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CN[5a]H)(CH3)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	116.3580	0.000	1	116.3580	0.000	1	117.4415	2.348	2	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5a]-3:C-3:H-1:	C-3:	C(CN[5a]H)(CHHS)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	C(CN[5a]H)(CHHS)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)	H(CCC)	118.5250	0.000	1	118.5250	0.000	1	117.4415	2.348	2	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[6]-3:C-3:H-1:	C-3:	C(CN[6]H)(CCHH)(H)	C(N[6]C[6]N[6])(CCH)(H)	H(CCC)	C(CN[6]H)(CCHH)(H)	C(N[6]C[6]N[6])(CCH)(H)	H(CCC)	116.9350	0.000	1	116.9350	0.000	1	116.9350	0.000	1	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(NCuCC)(H)	C(C[6]C[6]N[6])(CHN)(H)	H(CCN)	C(CC[6]H)(NCuCC)(H)	C(C[6]C[6]N[6])(CHN)(H)	H(CCN)	122.9840	0.000	1	122.9840	0.000	1	122.9840	0.000	1	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(NH3)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	C(CC[6a]H)(NH3)(H)	C(C[6a]C[6a]2)(CHN)(H)	H(CCN)	122.2330	0.352	2	122.2330	0.124	2	122.2330	0.124	2	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:S-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	H(CCS)	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	H(CCS)	120.9451	3.913	7	120.9451	15.311	7	120.9451	15.311	7	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:Si-4:H-1:	B[6a]-3:C-3:H-1:	C-3:	C(CB[6a]H)(SiCl3)(H)	C(B[6a]N[6a]2)(CSiH)(H)	H(CSiC)	C(CB[6a]H)(SiCl3)(H)	C(B[6a]N[6a]2)(CSiH)(H)	H(CSiC)	116.8113	0.439	3	116.8113	0.193	3	116.8113	0.193	3	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:Si-4:H-1:	C[6]-3:C-3:H-1:	C-3:	C(CC[6]H)(SiC3)(H)	C(C[6]C[6]2)(CSiH)(H)	H(CSiC)	C(CC[6]H)(SiC3)(H)	C(C[6]C[6]2)(CSiH)(H)	H(CSiC)	116.4465	0.752	2	116.4465	0.565	2	116.4465	0.565	2	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:Si-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(SiC3)(H)	C(C[6a]C[6a]2)(CSiH)(H)	H(CSiC)	C(CC[6a]H)(SiC3)(H)	C(C[6a]C[6a]2)(CSiH)(H)	H(CSiC)	116.3360	0.000	1	116.3360	0.000	1	117.8989	1.355	10	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:Si-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(SiCCO)(H)	C(C[6a]C[6a]2)(CSiH)(H)	H(CSiC)	C(CC[6a]H)(SiCCO)(H)	C(C[6a]C[6a]2)(CSiH)(H)	H(CSiC)	117.3950	0.000	1	117.3950	0.000	1	117.8989	1.355	10	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:1:	3:	C-3:Si-4:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(SiO3)(H)	C(C[6a]C[6a]2)(CSiH)(H)	H(CSiC)	C(CC[6a]H)(SiO3)(H)	C(C[6a]C[6a]2)(CSiH)(H)	H(CSiC)	118.1573	1.132	8	118.1573	1.281	8	117.8989	1.355	10	117.8640	3.118	301	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6]-3:C-3:O-2:	C-3:	C(CC[6]O)(CCCH)(H)	C(C[6]C[6]2)(CCH)(OC)	H(CCC)	C(CC[6]O)(CCCH)(H)	C(C[6]C[6]2)(CCH)(OC)	H(CCC)	117.4390	0.000	1	117.4390	0.000	1	117.4390	0.000	1	118.4544	8.340	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(CC)	H(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(CC)	H(CCC)	116.9477	0.157	4	116.9477	0.025	4	116.9477	0.025	4	118.4544	8.340	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NN)	H(CCC)	117.4710	0.000	1	117.4710	0.000	1	117.4710	0.000	1	118.4544	8.340	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	C(CC[6a]O)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(OC)	H(CCC)	116.1940	0.253	2	116.1940	0.064	2	119.1308	14.039	4	118.4544	8.340	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	C(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	120.1240	0.000	1	120.1240	0.000	1	119.1308	14.039	4	118.4544	8.340	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(OP)	H(CCC)	C(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(OP)	H(CCC)	124.0110	0.000	1	124.0110	0.000	1	119.1308	14.039	4	118.4544	8.340	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:2:	3:	C-3:P-4:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]O)(PNiCC)(H)	C(C[6a]C[6a]2)(CHP)(ONi)	H(CCP)	C(CC[6a]O)(PNiCC)(H)	C(C[6a]C[6a]2)(CHP)(ONi)	H(CCP)	123.7740	0.000	1	123.7740	0.000	1	123.7740	0.000	1	118.4544	8.340	11	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:B-4:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(BC[6a]3)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBH)	H(CBC)	C(CC[5a]C[6a])(BC[6a]3)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBH)	H(CBC)	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:B-4:H-1:	C[6a]-3:C[5]-3:C-3:	C-3:	C(CC[6a]C[5])(BC[6a]2C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	H(CBC)	C(CC[6a]C[5])(BC[6a]2C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	H(CBC)	113.0890	0.909	2	113.0890	0.827	2	113.3987	0.658	4	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:B-4:H-1:	C[6a]-3:C[5]-3:C-3:	C-3:	C(CC[6a]C[5])(BC[6a]3)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	H(CBC)	C(CC[6a]C[5])(BC[6a]3)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	H(CBC)	113.7085	0.873	2	113.7085	0.763	2	113.3987	0.658	4	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	B[5]-3:B[5]-3:C-3:	C-3:	C(CB[5]2)(CCHH)(H)	C(B[5]O[5]2)2(CCH)	H(CCC)	C(CB[5]2)(CCHH)(H)	C(B[5]O[5]2)2(CCH)	H(CCC)	120.9260	0.000	1	120.9260	0.000	1	120.9260	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	B[6a]-3:B[5]-3:C-3:	C-3:	C(CB[6a]B[5])(CCHH)(H)	C(B[6a]N[6a]2)(B[5]O[5]2)(CCH)	H(CCC)	C(CB[6a]B[5])(CCHH)(H)	C(B[6a]N[6a]2)(B[5]O[5]2)(CCH)	H(CCC)	117.1420	0.000	1	117.1420	0.000	1	117.1420	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5]-3:C-3:N-3:	C-3:	C(CC[5]N)(CH3)(H)	C(C[5]C[5]2)(CCH)(NCS)	H(CCC)	C(CC[5]N)(CH3)(H)	C(C[5]C[5]2)(CCH)(NCS)	H(CCC)	116.6515	0.500	2	116.6515	0.250	2	116.6515	0.250	2	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(CC[6a]2N)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CC[6a]2N)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	H(CCC)	116.8380	0.000	1	116.8380	0.000	1	116.8105	0.002	2	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(CH3)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CH3)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCH)	H(CCC)	116.7830	0.000	1	116.7830	0.000	1	116.8105	0.002	2	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5a]-3:C-3:C-3:	C-3:	C(CC[5a]C)(CC3)(H)	C(C[5a]C[5a]S[5a])(CCH)(COO)	H(CCC)	C(CC[5a]C)(CC3)(H)	C(C[5a]C[5a]S[5a])(CCH)(COO)	H(CCC)	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-3:	C-3:	C(CC[5a]2)(CHHN)(H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CCH)	H(CCC)	C(CC[5a]2)(CHHN)(H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(CCH)	H(CCC)	119.6400	0.000	1	119.6400	0.000	1	119.6725	0.002	2	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5a]-3:C[5a]-3:C-3:	C-3:	C(CC[5a]2)(CHHN)(H)	C(C[5a]C[5a]N[5a])2(CCH)	H(CCC)	C(CC[5a]2)(CHHN)(H)	C(C[5a]C[5a]N[5a])2(CCH)	H(CCC)	119.7050	0.000	1	119.7050	0.000	1	119.6725	0.002	2	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CC3)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(CC3)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	117.9090	0.140	2	117.9090	0.020	2	117.5630	1.165	4	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CCHH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(CCHH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	118.4410	0.000	1	118.4410	0.000	1	117.5630	1.165	4	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(CCHO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[5a]C[6a])(CCHO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	H(CCC)	115.9930	0.000	1	115.9930	0.000	1	117.5630	1.165	4	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:B-3:C-3:	C-3:	C(CC[6a]B)(CC3)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	H(CCC)	C(CC[6a]B)(CC3)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	H(CCC)	113.1060	0.000	1	113.1060	0.000	1	114.8437	2.379	3	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:B-3:C-3:	C-3:	C(CC[6a]B)(CCHH)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	H(CCC)	C(CC[6a]B)(CCHH)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	H(CCC)	115.7125	0.477	2	115.7125	0.228	2	114.8437	2.379	3	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:B[5]-3:C-3:	C-3:	C(CC[6a]B[5])(CC3)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	H(CCC)	C(CC[6a]B[5])(CC3)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	H(CCC)	113.8560	0.106	2	113.8560	0.011	2	113.8560	0.011	2	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(CHN)	H(CCC)	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(CHN)	H(CCC)	115.1460	0.000	1	115.1460	0.000	1	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	113.9290	0.000	1	113.9290	0.000	1	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	H(CCC)	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	H(CCC)	119.6560	0.000	1	119.6560	0.000	1	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	H(CCC)	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	H(CCC)	117.8870	0.000	1	117.8870	0.000	1	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCFF)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	H(CCC)	C(CC[6a]C)(CCFF)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	H(CCC)	114.6210	0.000	1	114.6210	0.000	1	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCFF)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CCH)	H(CCC)	C(CC[6a]C)(CCFF)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CCH)	H(CCC)	116.5600	0.000	1	116.5600	0.000	1	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	H(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	H(CCC)	117.2900	1.354	3	117.2900	1.833	3	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	115.8400	0.000	1	115.8400	0.000	1	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	H(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	H(CCC)	120.0850	0.000	1	120.0850	0.000	1	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	116.0200	0.607	2	116.0200	0.368	2	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(COO)	H(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(COO)	H(CCC)	116.7355	0.084	2	116.7355	0.007	2	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(CHHO)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]C)(CHHO)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	117.2508	0.318	4	117.2508	0.101	4	116.8478	2.438	19	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	H(CCC)	C(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	H(CCC)	123.2340	0.000	1	123.2340	0.000	1	117.0987	5.079	11	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	116.2550	0.000	1	116.2550	0.000	1	117.0987	5.079	11	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	H(CCC)	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	H(CCC)	113.9300	0.000	1	113.9300	0.000	1	117.0987	5.079	11	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	C(CC[6a]N)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	117.3280	0.000	1	117.3280	0.000	1	117.0987	5.079	11	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	C(CC[6a]N)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	H(CCC)	116.6225	0.380	6	116.6225	0.145	6	117.0987	5.079	11	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]N)(CHHN)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	C(CC[6a]N)(CHHN)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(CCC)	117.6040	0.000	1	117.6040	0.000	1	117.0987	5.079	11	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6]-3:C-3:	C-3:	C(CC[6a]C[6])(CHHO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	H(CCC)	C(CC[6a]C[6])(CHHO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	H(CCC)	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CC3)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CC3)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	115.0022	1.569	5	115.0022	2.461	5	116.7510	2.508	34	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CCCH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CCCH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	118.9480	0.000	1	118.9480	0.000	1	116.7510	2.508	34	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CCFF)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CCFF)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.0260	0.304	2	116.0260	0.092	2	116.7510	2.508	34	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	117.1233	1.576	18	117.1233	2.483	18	116.7510	2.508	34	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CCHS)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CCHS)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.7830	0.000	1	116.7830	0.000	1	116.7510	2.508	34	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CF3)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CF3)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.0440	0.000	1	116.0440	0.000	1	116.7510	2.508	34	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CFFH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CFFH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	117.5710	0.000	1	117.5710	0.000	1	116.7510	2.508	34	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]2)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	H(CCC)	116.5160	0.000	1	116.5160	0.000	1	116.7510	2.508	34	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CH3)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CH3)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.7060	0.168	2	116.7060	0.028	2	116.7510	2.508	34	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CHNO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CHNO)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	119.0040	0.000	1	119.0040	0.000	1	116.7510	2.508	34	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(CInHH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]2)(CInHH)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	115.9730	0.000	1	115.9730	0.000	1	116.7510	2.508	34	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:Ga-3:C-3:	C-3:	C(CC[6a]Ga)(CC3)(H)	C(C[6a]C[6a]2)(GaCC)(CCH)	H(CCC)	C(CC[6a]Ga)(CC3)(H)	C(C[6a]C[6a]2)(GaCC)(CCH)	H(CCC)	114.0927	0.237	7	114.0927	0.056	7	114.0927	0.056	7	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NMgH)(CCH)	H(CCC)	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NMgH)(CCH)	H(CCC)	117.3990	0.000	1	117.3990	0.000	1	117.1255	0.348	4	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CH3)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	H(CCC)	C(CC[6a]N)(CH3)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	H(CCC)	116.4710	0.000	1	116.4710	0.000	1	117.1255	0.348	4	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CHPP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	C(CC[6a]N)(CHPP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(CCC)	116.8320	0.000	1	116.8320	0.000	1	117.1255	0.348	4	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(CTiCO)(H)	C(C[6a]C[6a]2)(NC[6a]Ti)(CCH)	H(CCC)	C(CC[6a]N)(CTiCO)(H)	C(C[6a]C[6a]2)(NC[6a]Ti)(CCH)	H(CCC)	117.8000	0.000	1	117.8000	0.000	1	117.1255	0.348	4	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	N[5]-3:C-3:C-3:	C-3:	C(CN[5]C)(CCHH)(H)	C(N[5]C[5]2)(CCH)(COO)	H(CCC)	C(CN[5]C)(CCHH)(H)	C(N[5]C[5]2)(CCH)(COO)	H(CCC)	117.1525	1.708	2	117.1525	2.916	2	117.1525	2.916	2	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	N[5]-3:N-3:C-3:	C-3:	C(CN[5]N)(CCHH)(H)	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	H(CCC)	C(CN[5]N)(CCHH)(H)	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	H(CCC)	116.3470	0.000	1	116.3470	0.000	1	116.3470	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	N[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[6a])(CH3)(H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]N[6a])(CH3)(H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	H(CCC)	117.1220	0.000	1	117.1220	0.000	1	117.1220	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:P-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(PC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	H(CCP)	C(CC[6a]C)(PC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	H(CCP)	115.5420	0.000	1	115.5420	0.000	1	115.5420	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:P-4:H-1:	C[6a]-3:C[6]-3:C-3:	C-3:	C(CC[6a]C[6])(PC[6a]2Rh)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHP)	H(CCP)	C(CC[6a]C[6])(PC[6a]2Rh)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHP)	H(CCP)	115.5560	0.000	1	115.5560	0.000	1	115.5560	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:P-4:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(PCCN)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	H(CCP)	C(CC[6a]N)(PCCN)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	H(CCP)	117.7590	0.000	2	117.7590	0.000	2	120.9397	6.438	6	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:P-4:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(PNiCC)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	H(CCP)	C(CC[6a]N)(PNiCC)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	H(CCP)	122.5300	0.783	4	122.5300	0.613	4	120.9397	6.438	6	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:S-4:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(SC[6a]OO)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	H(CCS)	C(CC[5a]C[6a])(SC[6a]OO)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	H(CCS)	116.6450	0.000	1	116.6450	0.000	1	116.6450	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:S-4:H-1:	N[5a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]N[5a])(SC[6a]OO)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	H(CCS)	C(CC[6a]N[5a])(SC[6a]OO)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	H(CCS)	116.0000	0.000	1	116.0000	0.000	1	116.0000	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:Si-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(SiC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	H(CSiC)	C(CC[6a]C)(SiC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	H(CSiC)	116.0390	0.000	1	116.0390	0.000	1	115.1845	1.460	2	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:Si-4:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(SiC3)(H)	C(C[6a]C[6a]2)(CSiH)(CNO)	H(CSiC)	C(CC[6a]C)(SiC3)(H)	C(C[6a]C[6a]2)(CSiH)(CNO)	H(CSiC)	114.3300	0.000	1	114.3300	0.000	1	115.1845	1.460	2	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:Si-4:H-1:	C[6a]-3:C-3:Ge-3:	C-3:	C(CC[6a]Ge)(SiSi3)(H)	C(C[6a]C[6a]2)(CSiH)(GeCP)	H(CSiC)	C(CC[6a]Ge)(SiSi3)(H)	C(C[6a]C[6a]2)(CSiH)(GeCP)	H(CSiC)	110.6485	2.082	2	110.6485	4.337	2	110.6485	4.337	2	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]2)(SiC3)(H)	C(C[6a]C[6a]2)2(CSiH)	H(CSiC)	C(CC[6a]2)(SiC3)(H)	C(C[6a]C[6a]2)2(CSiH)	H(CSiC)	115.3560	0.000	1	115.3560	0.000	1	115.3560	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:Si-4:H-1:	C[6a]-3:Ge-3:C-3:	C-3:	C(CC[6a]Ge)(SiSi3)(H)	C(C[6a]C[6a]2)(GeSiP)(CSiH)	H(CSiC)	C(CC[6a]Ge)(SiSi3)(H)	C(C[6a]C[6a]2)(GeSiP)(CSiH)	H(CSiC)	110.6390	0.000	1	110.6390	0.000	1	110.6390	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:3:3:	3:	C-3:Si-4:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]N)(SiCCN)(H)	C(C[6a]C[6a]2)(NC[6a]Li)(CSiH)	H(CSiC)	C(CC[6a]N)(SiCCN)(H)	C(C[6a]C[6a]2)(NC[6a]Li)(CSiH)	H(CSiC)	114.0990	0.000	1	114.0990	0.000	1	114.0990	0.000	1	116.5337	5.348	120	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:B-4:H-1:	C[6a]-3:C[6]-4:C-3:	C-3:	C(CC[6a]C[6])(BC[6a]3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	H(CBC)	C(CC[6a]C[6])(BC[6a]3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	H(CBC)	113.8260	0.000	1	113.8260	0.000	1	113.8260	0.000	1	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CC3)(H)	C(C[5]C[5]P[5])(CC3)(CCH)	H(CCC)	C(CC[5]C)(CC3)(H)	C(C[5]C[5]P[5])(CC3)(CCH)	H(CCC)	113.7880	0.683	2	113.7880	0.467	2	115.8327	3.004	7	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2)(CBrHH)(CCH)	H(CCC)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2)(CBrHH)(CCH)	H(CCC)	118.0990	0.000	1	118.0990	0.000	1	115.8327	3.004	7	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2)(CCHH)(CCH)	H(CCC)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2)(CCHH)(CCH)	H(CCC)	114.8900	0.000	1	114.8900	0.000	1	115.8327	3.004	7	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CCoCH)(H)	C(C[5]C[5]N[5])(CCCH)(CCH)	H(CCC)	C(CC[5]C)(CCoCH)(H)	C(C[5]C[5]N[5])(CCCH)(CCH)	H(CCC)	116.1120	0.000	1	116.1120	0.000	1	115.8327	3.004	7	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CH3)(H)	C(C[5]C[5,6]C[5])(CH3)(CCH)	H(CCC)	C(CC[5]C)(CH3)(H)	C(C[5]C[5,6]C[5])(CH3)(CCH)	H(CCC)	117.0700	0.000	1	117.0700	0.000	1	115.8327	3.004	7	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]C)(CH3)(H)	C(C[5]C[5]2)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CH3)(H)	C(C[5]C[5]2)(CH3)(CCH)	H(CCC)	117.0820	0.000	1	117.0820	0.000	1	115.8327	3.004	7	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(CH3)(H)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CCH)	H(CCC)	C(CC[5a]C)(CH3)(H)	C(C[5a]C[5a]N[5a])(CC[6a]HH)(CCH)	H(CCC)	116.4160	0.263	2	116.4160	0.069	2	116.0364	3.305	7	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(CHHN)(H)	C(C[5a]C[5a,6a]2)(CH3)(CCH)	H(CCC)	C(CC[5a]C)(CHHN)(H)	C(C[5a]C[5a,6a]2)(CH3)(CCH)	H(CCC)	117.7445	0.364	2	117.7445	0.133	2	116.0364	3.305	7	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(CHHN)(H)	C(C[5a]C[5a]N[5a])(CH3)(CCH)	H(CCC)	C(CC[5a]C)(CHHN)(H)	C(C[5a]C[5a]N[5a])(CH3)(CCH)	H(CCC)	113.5125	0.021	2	113.5125	0.000	2	116.0364	3.305	7	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5a]-3:C-4:C-3:	C-3:	C(CC[5a]C)(CHHN)(H)	C(C[5a]C[5a]O[5a])(CHHO)(CCH)	H(CCC)	C(CC[5a]C)(CHHN)(H)	C(C[5a]C[5a]O[5a])(CHHO)(CCH)	H(CCC)	116.9090	0.000	1	116.9090	0.000	1	116.0364	3.305	7	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6]-3:C-4:C-3:	C-3:	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]2)(CH3)(CCH)	H(CCC)	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]2)(CH3)(CCH)	H(CCC)	117.1300	0.000	1	117.1300	0.000	1	117.1300	0.000	1	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:B-4:C-3:	C-3:	C(CC[6a]B)(CC3)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	H(CCC)	C(CC[6a]B)(CC3)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	H(CCC)	112.4830	0.000	1	112.4830	0.000	1	115.3777	7.408	3	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:B-4:C-3:	C-3:	C(CC[6a]B)(CCHH)(H)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	H(CCC)	C(CC[6a]B)(CCHH)(H)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	H(CCC)	116.8250	1.499	2	116.8250	2.247	2	115.3777	7.408	3	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCCO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[6a]C)(CCCO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	115.6900	0.983	2	115.6900	0.966	2	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[5,6a]C[6a])(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[5,6a]C[6a])(CH3)(CCH)	H(CCC)	116.2580	0.000	1	116.2580	0.000	1	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	115.9617	0.358	4	115.9617	0.128	4	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CHHN)(CCH)	H(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CHHN)(CCH)	H(CCC)	115.8000	0.255	2	115.8000	0.065	2	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	117.4728	1.642	4	117.4728	2.697	4	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CCHS)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CCHS)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	116.6850	0.226	3	116.6850	0.051	3	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CC3)(CCH)	H(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CC3)(CCH)	H(CCC)	119.1510	0.000	1	119.1510	0.000	1	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)	H(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)	H(CCC)	116.0690	0.000	1	116.0690	0.000	1	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	H(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	H(CCC)	116.7545	0.385	2	116.7545	0.149	2	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	115.8570	0.000	1	115.8570	0.000	1	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	116.4715	0.817	4	116.4715	0.668	4	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	H(CCC)	118.9480	0.000	1	118.9480	0.000	1	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CHHN)(CCH)	H(CCC)	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CHHN)(CCH)	H(CCC)	115.9970	0.000	1	115.9970	0.000	1	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	116.5350	0.457	4	116.5350	0.208	4	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CN[5]HH)(CCH)	H(CCC)	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CN[5]HH)(CCH)	H(CCC)	115.9900	0.000	1	115.9900	0.000	1	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CHHO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[6a]C)(CHHO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	116.7770	0.000	1	116.7770	0.000	1	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CHHO)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	C(CC[6a]C)(CHHO)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	116.3083	1.084	3	116.3083	1.175	3	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(CHHS)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	C(CC[6a]C)(CHHS)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	116.8855	0.224	2	116.8855	0.050	2	116.5803	0.992	38	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[5]-4:C-3:	C-3:	C(CC[6a]C[5])(CH3)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)	H(CCC)	C(CC[6a]C[5])(CH3)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)	H(CCC)	116.9330	0.000	1	116.9330	0.000	1	116.9330	0.000	1	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(CC[6a]P)(CCCO)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)	H(CCC)	C(CC[6a]P)(CCCO)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)	H(CCC)	113.6230	0.000	1	113.6230	0.000	1	113.6230	0.000	1	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:S-4:C-3:	C-3:	C(CC[6a]S)(CF3)(H)	C(C[6a]C[6a]2)(SNOO)(CCH)	H(CCC)	C(CC[6a]S)(CF3)(H)	C(C[6a]C[6a]2)(SNOO)(CCH)	H(CCC)	116.5900	0.000	1	116.5900	0.000	1	116.5900	0.000	1	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	N[5a]-3:C-4:C-3:	C-3:	C(CN[5a]C)(CCCH)(H)	C(N[5a]C[5a]2)(CCCH)(CCH)	H(CCC)	C(CN[5a]C)(CCCH)(H)	C(N[5a]C[5a]2)(CCCH)(CCH)	H(CCC)	118.2860	0.000	1	118.2860	0.000	1	118.2860	0.000	1	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	N[5a]-3:C[3]-4:C-3:	C-3:	C(CN[5a]C[3])(CCCH)(H)	C(N[5a]C[5a]2)(C[3]C[3]2H)(CCH)	H(CCC)	C(CN[5a]C[3])(CCCH)(H)	C(N[5a]C[5a]2)(C[3]C[3]2H)(CCH)	H(CCC)	118.7040	0.000	1	118.7040	0.000	1	118.7040	0.000	1	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	S[6]-3:C-4:C-3:	C-3:	C(CS[6]C)(CCHH)(H)	C(S[6]C[6,6a]2)(CCHH)(CCH)	H(CCC)	C(CS[6]C)(CCHH)(H)	C(S[6]C[6,6a]2)(CCHH)(CCH)	H(CCC)	116.8520	0.000	1	116.8520	0.000	1	116.8520	0.000	1	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:P-4:H-1:	C[6a]-3:Ge-4:C-3:	C-3:	C(CC[6a]Ge)(PO3)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHP)	H(CCP)	C(CC[6a]Ge)(PO3)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHP)	H(CCP)	115.0540	0.000	1	115.0540	0.000	1	115.0540	0.000	1	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:Si-4:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C)(SiSi2C)(H)	C(C[6a]C[6a]2)(CCHH)(CSiH)	H(CSiC)	C(CC[6a]C)(SiSi2C)(H)	C(C[6a]C[6a]2)(CCHH)(CSiH)	H(CSiC)	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:Si-4:H-1:	C[6a]-3:C[6]-4:C-3:	C-3:	C(CC[6a]C[6])(SiC3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	H(CSiC)	C(CC[6a]C[6])(SiC3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	H(CSiC)	114.6890	0.000	1	114.6890	0.000	1	114.6890	0.000	1	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	3:4:3:	3:	C-3:Si-4:H-1:	C[6a]-3:Si-4:C-3:	C-3:	C(CC[6a]Si)(SiC3)(H)	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	H(CSiC)	C(CC[6a]Si)(SiC3)(H)	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	H(CSiC)	114.8203	0.058	3	114.8203	0.003	3	114.8203	0.003	3	116.1882	2.259	69	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	B[5,5]-4:C-3:H-1:	C-3:	C(CB[5,5]H)(CH3)(H)	C(B[5,5]N[5,5]O[5]2)(CCH)(H)	H(CCC)	C(CB[5,5]H)(CH3)(H)	C(B[5,5]N[5,5]O[5]2)(CCH)(H)	H(CCC)	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrC)(CF3)(H)	C(CC[6a]2H)(CCH)(Br)	H(CCC)	C(CBrC)(CF3)(H)	C(CC[6a]2H)(CCH)(Br)	H(CCC)	116.5840	0.045	2	116.5840	0.002	2	116.5840	0.002	2	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3,5]-4:C-3:H-1:	C-3:	C(CC[3,5]H)(CCCH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCH)(H)	H(CCC)	C(CC[3,5]H)(CCCH)(H)	C(C[3,5]C[3,5]C[5]O[3])(CCH)(H)	H(CCC)	116.4150	0.000	1	116.4150	0.000	1	116.4150	0.000	1	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(CCCH)(H)	C(C[3]C[3]2H)(CCH)(H)	H(CCC)	C(CC[3]H)(CCCH)(H)	C(C[3]C[3]2H)(CCH)(H)	H(CCC)	117.9436	0.171	17	117.9436	0.029	17	117.7757	0.320	23	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(CCHH)(H)	C(C[3]C[3]N[3]H)(CCH)(H)	H(CCC)	C(CC[3]H)(CCHH)(H)	C(C[3]C[3]N[3]H)(CCH)(H)	H(CCC)	115.8810	0.000	1	115.8810	0.000	1	117.7757	0.320	23	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(CCHO)(H)	C(C[3]C[3]O[3]H)(CCH)(H)	H(CCC)	C(CC[3]H)(CCHO)(H)	C(C[3]C[3]O[3]H)(CCH)(H)	H(CCC)	116.9990	0.000	1	116.9990	0.000	1	117.7757	0.320	23	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(CH3)(H)	C(C[3]C[3,6]2C)(CCH)(H)	H(CCC)	C(CC[3]H)(CH3)(H)	C(C[3]C[3,6]2C)(CCH)(H)	H(CCC)	116.5420	0.000	1	116.5420	0.000	1	117.7757	0.320	23	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(CHHO)(H)	C(C[3]C[3]2H)(CCH)(H)	H(CCC)	C(CC[3]H)(CHHO)(H)	C(C[3]C[3]2H)(CCH)(H)	H(CCC)	118.1260	0.076	3	118.1260	0.006	3	117.7757	0.320	23	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4]-4:C-3:H-1:	C-3:	C(CC[4]H)(CH3)(H)	C(C[4]C[4]2H)(CCH)(H)	H(CCC)	C(CC[4]H)(CH3)(H)	C(C[4]C[4]2H)(CCH)(H)	H(CCC)	116.6375	0.275	2	116.6375	0.076	2	117.1813	0.925	3	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4]-4:C-3:H-1:	C-3:	C(CC[4]H)(CH3)(H)	C(C[4]C[4]O[4]H)(CCH)(H)	H(CCC)	C(CC[4]H)(CH3)(H)	C(C[4]C[4]O[4]H)(CCH)(H)	H(CCC)	118.2690	0.000	1	118.2690	0.000	1	117.1813	0.925	3	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,5,6]-4:C-3:H-1:	C-3:	C(CC[5,5,6]H)(CCHH)(H)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCH)(H)	H(CCC)	C(CC[5,5,6]H)(CCHH)(H)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCH)(H)	H(CCC)	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,5]-4:C-3:H-1:	C-3:	C(CC[5,5]H)(CCHH)(H)	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	H(CCC)	C(CC[5,5]H)(CCHH)(H)	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	H(CCC)	117.7760	0.000	1	117.7760	0.000	1	118.1820	0.126	3	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,5]-4:C-3:H-1:	C-3:	C(CC[5,5]H)(CH3)(H)	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	H(CCC)	C(CC[5,5]H)(CH3)(H)	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	H(CCC)	118.3850	0.068	2	118.3850	0.005	2	118.1820	0.126	3	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(CCCH)(H)	C(C[5,6]C[5,6]2O)(CCH)(H)	H(CCC)	C(CC[5,6]H)(CCCH)(H)	C(C[5,6]C[5,6]2O)(CCH)(H)	H(CCC)	118.0890	0.000	1	118.0890	0.000	1	116.1387	7.206	3	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(CC[5]CC)(H)	C(C[5,6]C[5,6,6]C[5]C[6])(CCH)(H)	H(CCC)	C(CC[5,6]H)(CC[5]CC)(H)	C(C[5,6]C[5,6,6]C[5]C[6])(CCH)(H)	H(CCC)	113.0770	0.000	1	113.0770	0.000	1	116.1387	7.206	3	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,6]-4:C-3:H-1:	C-3:	C(CC[5,6]H)(CH3)(H)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCH)(H)	H(CCC)	C(CC[5,6]H)(CH3)(H)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCH)(H)	H(CCC)	117.2500	0.000	1	117.2500	0.000	1	116.1387	7.206	3	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCCH)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCCH)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	118.0310	0.000	1	118.0310	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCCO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCCO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	H(CCC)	114.6380	0.000	1	114.6380	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCH)(H)	H(CCC)	116.7060	0.000	1	116.7060	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	116.2230	0.467	2	116.2230	0.218	2	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	117.6705	3.099	15	117.6705	9.607	15	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2Zr)(CCH)(H)	H(CCC)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]2Zr)(CCH)(H)	H(CCC)	116.8260	0.000	1	116.8260	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	H(CCC)	117.1805	0.252	2	117.1805	0.064	2	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	H(CCC)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	H(CCC)	118.0730	0.000	1	118.0730	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	H(CCC)	117.7095	1.471	2	117.7095	2.165	2	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCHN)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCHN)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	114.3220	0.000	1	114.3220	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCHO)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	C(CC[5]H)(CCHO)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	121.0610	0.820	2	121.0610	0.673	2	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CCHO)(H)	C(C[5]C[5]2O)(CCH)(H)	H(CCC)	C(CC[5]H)(CCHO)(H)	C(C[5]C[5]2O)(CCH)(H)	H(CCC)	117.2910	0.000	1	117.2910	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]O)(CCH)(H)	H(CCC)	C(CC[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]O)(CCH)(H)	H(CCC)	117.1950	0.031	2	117.1950	0.001	2	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CH3)(H)	C(C[5]C[5,5]O[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CH3)(H)	C(C[5]C[5,5]O[5]H)(CCH)(H)	H(CCC)	117.1230	0.000	1	117.1230	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CH3)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CH3)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	H(CCC)	117.5105	0.422	2	117.5105	0.178	2	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CH3)(H)	C(C[5]C[5,6]C[5]O)(CCH)(H)	H(CCC)	C(CC[5]H)(CH3)(H)	C(C[5]C[5,6]C[5]O)(CCH)(H)	H(CCC)	119.3550	0.000	1	119.3550	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CH3)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	C(CC[5]H)(CH3)(H)	C(C[5]C[5]2H)(CCH)(H)	H(CCC)	117.4155	0.272	2	117.4155	0.074	2	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CH3)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	H(CCC)	C(CC[5]H)(CH3)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	H(CCC)	117.9450	0.250	4	117.9450	0.063	4	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CHHI)(H)	C(C[5]C[6a]C[5]N[5])(CCH)(H)	H(CCC)	C(CC[5]H)(CHHI)(H)	C(C[5]C[6a]C[5]N[5])(CCH)(H)	H(CCC)	118.5090	0.000	1	118.5090	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CHHN)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	C(CC[5]H)(CHHN)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	117.1650	0.000	1	117.1650	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(H)	H(CCC)	116.3760	0.000	1	116.3760	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CHHO)(H)	C(C[5]C[5,5]C[5]O)(CCH)(H)	H(CCC)	C(CC[5]H)(CHHO)(H)	C(C[5]C[5,5]C[5]O)(CCH)(H)	H(CCC)	111.4780	0.000	1	111.4780	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CHHO)(H)	C(C[5]C[5,6,6]C[5]H)(CCH)(H)	H(CCC)	C(CC[5]H)(CHHO)(H)	C(C[5]C[5,6,6]C[5]H)(CCH)(H)	H(CCC)	118.0850	0.000	1	118.0850	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(CHHP)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	C(CC[5]H)(CHHP)(H)	C(C[5]C[5]2Fe)(CCH)(H)	H(CCC)	118.2870	0.000	1	118.2870	0.000	1	117.4519	4.926	48	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	H(CCC)	C(CC[6,6]H)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	H(CCC)	117.7845	0.023	2	117.7845	0.001	2	117.7845	0.001	2	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	116.5690	0.000	1	116.5690	0.000	1	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCCO)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCCO)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	H(CCC)	115.2950	0.000	1	115.2950	0.000	1	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCCO)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	H(CCC)	C(CC[6]H)(CCCO)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	H(CCC)	117.0660	0.000	1	117.0660	0.000	1	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHH)(H)	C(C[6]C[3,6]C[5,6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHH)(H)	C(C[6]C[3,6]C[5,6]H)(CCH)(H)	H(CCC)	117.1495	0.991	4	117.1495	0.982	4	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	H(CCC)	117.3272	0.396	6	117.3272	0.156	6	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	H(CCC)	118.0590	0.000	1	118.0590	0.000	1	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CCH)(H)	H(CCC)	117.3580	0.735	8	117.3580	0.540	8	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	H(CCC)	116.3783	0.815	3	116.3783	0.665	3	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]2Cr)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]2Cr)(CCH)(H)	H(CCC)	116.1130	0.000	1	116.1130	0.000	1	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	116.0078	0.583	6	116.0078	0.340	6	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	116.7840	0.507	4	116.7840	0.257	4	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHN)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHN)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	118.8190	0.319	4	118.8190	0.102	4	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]2C)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]2C)(CCH)(H)	H(CCC)	116.9920	0.000	1	116.9920	0.000	1	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	116.8070	0.000	1	116.8070	0.000	1	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]2O)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]2O)(CCH)(H)	H(CCC)	117.8515	0.090	2	117.8515	0.008	2	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	124.3400	0.000	1	124.3400	0.000	1	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)	H(CCC)	117.6557	0.348	4	117.6557	0.121	4	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CH3)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	C(CC[6]H)(CH3)(H)	C(C[6]C[6]2H)(CCH)(H)	H(CCC)	116.8427	0.480	3	116.8427	0.230	3	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	H(CCC)	117.5240	0.000	1	117.5240	0.000	1	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CH3)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CH3)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	117.4210	1.452	3	117.4210	2.110	3	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CHHN)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CHHN)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	H(CCC)	118.1820	0.000	1	118.1820	0.000	1	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	H(CCC)	117.9550	0.000	1	117.9550	0.000	1	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]H)(CHHO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	C(CC[6]H)(CHHO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	H(CCC)	117.0480	1.610	3	117.0480	2.594	3	117.2817	1.742	61	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	Ge-4:C-3:H-1:	C-3:	C(CGeH)(CF3)(H)	C(GeC[6a]3)(CCH)(H)	H(CCC)	C(CGeH)(CF3)(H)	C(GeC[6a]3)(CCH)(H)	H(CCC)	117.1180	0.052	2	117.1180	0.003	2	117.1180	0.003	2	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:S-4:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]H)(SCOO)(H)	C(C[5]C[5]O[5]H)(CHS)(H)	H(CCS)	C(CC[5]H)(SCOO)(H)	C(C[5]C[5]O[5]H)(CHS)(H)	H(CCS)	123.1735	1.285	2	123.1735	1.651	2	123.1735	1.651	2	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:Si-4:H-1:	C[3,5]-4:C-3:H-1:	C-3:	C(CC[3,5]H)(SiC3)(H)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CSiH)(H)	H(CSiC)	C(CC[3,5]H)(SiC3)(H)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CSiH)(H)	H(CSiC)	114.4110	0.000	1	114.4110	0.000	1	114.3090	0.041	3	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:Si-4:H-1:	C[3,5]-4:C-3:H-1:	C-3:	C(CC[3,5]H)(SiC3)(H)	C(C[3,5]C[3,5]C[3]C[5])(CSiH)(H)	H(CSiC)	C(CC[3,5]H)(SiC3)(H)	C(C[3,5]C[3,5]C[3]C[5])(CSiH)(H)	H(CSiC)	114.2580	0.259	2	114.2580	0.067	2	114.3090	0.041	3	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:Si-4:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[3]H)(SiC3)(H)	C(C[3]C[3]2H)(CSiH)(H)	H(CSiC)	C(CC[3]H)(SiC3)(H)	C(C[3]C[3]2H)(CSiH)(H)	H(CSiC)	115.0363	3.312	3	115.0363	10.967	3	115.0363	10.967	3	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:1:	3:	C-3:Si-4:H-1:	C[6,6]-4:C-3:H-1:	C-3:	C(CC[6,6]H)(SiC3)(H)	C(C[6,6]C[5,6,6]C[4x6]H)(CSiH)(H)	H(CSiC)	C(CC[6,6]H)(SiC3)(H)	C(C[6,6]C[5,6,6]C[4x6]H)(CSiH)(H)	H(CSiC)	119.3030	0.000	1	119.3030	0.000	1	119.3030	0.000	1	117.3552	3.309	159	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:2:	3:	C-3:C-4:H-1:	C[3]-4:C-3:O-2:	C-3:	C(CC[3]O)(CCCH)(H)	C(C[3]C[3]2H)(CCH)(OC)	H(CCC)	C(CC[3]O)(CCCH)(H)	C(C[3]C[3]2H)(CCH)(OC)	H(CCC)	118.0240	0.000	1	118.0240	0.000	1	117.6790	0.098	3	117.7093	4.109	7	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:2:	3:	C-3:C-4:H-1:	C[3]-4:C-3:O-2:	C-3:	C(CC[3]O)(CH3)(H)	C(C[3]C[3,6]2C)(CCH)(OSi)	H(CCC)	C(CC[3]O)(CH3)(H)	C(C[3]C[3,6]2C)(CCH)(OSi)	H(CCC)	117.5065	0.134	2	117.5065	0.018	2	117.6790	0.098	3	117.7093	4.109	7	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:2:	3:	C-3:C-4:H-1:	C[5,6]-4:C-3:N-2:	C-3:	C(CC[5,6]N)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(NN)	H(CCC)	C(CC[5,6]N)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCH)(NN)	H(CCC)	121.5640	0.000	1	121.5640	0.000	1	121.5640	0.000	1	117.7093	4.109	7	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:2:	3:	C-3:C-4:H-1:	C[5]-4:C-3:C-2:	C-3:	C(CC[5]C)(CH3)(H)	C(C[5]C[5]2H)(CCH)(CN)	H(CCC)	C(CC[5]C)(CH3)(H)	C(C[5]C[5]2H)(CCH)(CN)	H(CCC)	116.8830	0.000	1	116.8830	0.000	1	116.8830	0.000	1	117.7093	4.109	7	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:2:	3:	C-3:C-4:H-1:	Si-4:C-3:C-2:	C-3:	C(CSiC)(CC3)(H)	C(SiC[6a]3)(CCH)(CC)	H(CCC)	C(CSiC)(CC3)(H)	C(SiC[6a]3)(CCH)(CC)	H(CCC)	114.7240	0.000	1	114.7240	0.000	1	116.2405	4.600	2	117.7093	4.109	7	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:2:	3:	C-3:C-4:H-1:	Si-4:C-3:C-2:	C-3:	C(CSiC)(CH3)(H)	C(SiC[6a]3)(CCH)(CC)	H(CCC)	C(CSiC)(CH3)(H)	C(SiC[6a]3)(CCH)(CC)	H(CCC)	117.7570	0.000	1	117.7570	0.000	1	116.2405	4.600	2	117.7093	4.109	7	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(CCO)	H(CCC)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(CCO)	H(CCC)	114.5335	2.218	2	114.5335	4.920	2	114.6147	2.480	3	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	H(CCC)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	H(CCC)	114.7770	0.000	1	114.7770	0.000	1	114.6147	2.480	3	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCH)	H(CCC)	116.6570	0.000	1	116.6570	0.000	1	116.0495	0.330	4	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)	H(CCC)	116.3810	0.000	1	116.3810	0.000	1	116.0495	0.330	4	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(CHHO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	H(CCC)	C(CC[6a]C[5])(CHHO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	H(CCC)	115.5800	0.267	2	115.5800	0.071	2	116.0495	0.330	4	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(CH3)(H)	C(C[6]C[6]2H)(CCH)(CHO)	H(CCC)	C(CC[6]C)(CH3)(H)	C(C[6]C[6]2H)(CCH)(CHO)	H(CCC)	115.3940	0.000	1	115.3940	0.000	1	115.8190	0.361	2	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	C[6]-4:C-3:C-3:	C-3:	C(CC[6]C)(CH3)(H)	C(C[6]C[6]2H)(CCH)2	H(CCC)	C(CC[6]C)(CH3)(H)	C(C[6]C[6]2H)(CCH)2	H(CCC)	116.2440	0.000	1	116.2440	0.000	1	115.8190	0.361	2	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	Ge-4:Ga-3:C-3:	C-3:	C(CGaGe)(CC3)(H)	C(GeCNN)(GaCC)(CCH)	H(CCC)	C(CGaGe)(CC3)(H)	C(GeCNN)(GaCC)(CCH)	H(CCC)	113.2510	0.000	1	113.2510	0.000	1	113.4360	0.068	2	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	Ge-4:Ga-3:C-3:	C-3:	C(CGaGe)(CC3)(H)	C(GeC[6a]ClC)(GaCC)(CCH)	H(CCC)	C(CGaGe)(CC3)(H)	C(GeC[6a]ClC)(GaCC)(CCH)	H(CCC)	113.6210	0.000	1	113.6210	0.000	1	113.4360	0.068	2	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	Si[4]-4:Ga-3:C-3:	C-3:	C(CSi[4]Ga)(CC3)(H)	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	H(CCC)	C(CSi[4]Ga)(CC3)(H)	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	H(CCC)	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:Si-4:H-1:	C[3x6]-4:N-3:C-3:	C-3:	C(CC[3x6]N)(SiC3)(H)	C(C[3x6]C[6,6]3)(NAlSi)(CSiH)	H(CSiC)	C(CC[3x6]N)(SiC3)(H)	C(C[3x6]C[6,6]3)(NAlSi)(CSiH)	H(CSiC)	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:3:3:	3:	C-3:Si-4:H-1:	Ge[4]-4:C[6a]-3:C-3:	C-3:	C(CC[6a]Ge[4])(SiSi3)(H)	C(Ge[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	H(CSiC)	C(CC[6a]Ge[4])(SiSi3)(H)	C(Ge[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	H(CSiC)	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	114.1415	6.820	14	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	B[5,5]-4:C-4:C-3:	C-3:	C(CB[5,5]C)(CH3)(H)	C(B[5,5]N[5,5]O[5]2)(CH3)(CCH)	H(CCC)	C(CB[5,5]C)(CH3)(H)	C(B[5,5]N[5,5]O[5]2)(CH3)(CCH)	H(CCC)	117.6065	1.694	4	117.6065	2.869	4	117.6065	2.869	4	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[3]-4:C-4:C-3:	C-3:	C(CC[3]C)(CCHN)(H)	C(C[3]O[3]2O)(CH3)(CCH)	H(CCC)	C(CC[3]C)(CCHN)(H)	C(C[3]O[3]2O)(CH3)(CCH)	H(CCC)	116.2600	0.000	1	116.2600	0.000	1	116.5215	0.137	2	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[3]-4:C-4:C-3:	C-3:	C(CC[3]C)(CCHO)(H)	C(C[3]C[3,5]2H)(CH3)(CCH)	H(CCC)	C(CC[3]C)(CCHO)(H)	C(C[3]C[3,5]2H)(CH3)(CCH)	H(CCC)	116.7830	0.000	1	116.7830	0.000	1	116.5215	0.137	2	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[3]-4:Si-4:C-3:	C-3:	C(CC[3]Si)(CCHH)(H)	C(C[3]C[3]O[3]H)(SiC[6a]2C)(CCH)	H(CCC)	C(CC[3]Si)(CCHH)(H)	C(C[3]C[3]O[3]H)(SiC[6a]2C)(CCH)	H(CCC)	118.9255	0.568	2	118.9255	0.322	2	118.9255	0.322	2	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CCH)	H(CCC)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CCH)	H(CCC)	116.1775	0.086	2	116.1775	0.007	2	116.4644	1.622	11	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	H(CCC)	116.0620	0.000	1	116.0620	0.000	1	116.4644	1.622	11	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(CCH)	H(CCC)	116.6183	0.546	3	116.6183	0.298	3	116.4644	1.622	11	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2O)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]2O)(CH3)(CCH)	H(CCC)	116.5600	0.000	1	116.5600	0.000	1	116.4644	1.622	11	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)	H(CCC)	119.8050	0.000	1	119.8050	0.000	1	116.4644	1.622	11	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	H(CCC)	115.9750	0.000	1	115.9750	0.000	1	116.4644	1.622	11	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(CCH)	H(CCC)	115.8990	0.000	1	115.8990	0.000	1	116.4644	1.622	11	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]C)(CRuCC)(H)	C(C[5]C[5]2Ru)(CH3)(CCH)	H(CCC)	C(CC[5]C)(CRuCC)(H)	C(C[5]C[5]2Ru)(CH3)(CCH)	H(CCC)	114.5970	0.000	1	114.5970	0.000	1	116.4644	1.622	11	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(CCH)	H(CCC)	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(CCH)	H(CCC)	118.3672	0.311	5	118.3672	0.096	5	117.2596	1.048	15	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[5]HO)(CCH)	H(CCC)	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[5]HO)(CCH)	H(CCC)	115.8650	0.000	1	115.8650	0.000	1	117.2596	1.048	15	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(CCH)	H(CCC)	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(CCH)	H(CCC)	115.8200	0.000	1	115.8200	0.000	1	117.2596	1.048	15	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CCH)	H(CCC)	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CCH)	H(CCC)	116.9200	0.000	1	116.9200	0.000	1	117.2596	1.048	15	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CH3)(H)	C(C[6]C[6,6]O[6]H)(CH3)(CCH)	H(CCC)	C(CC[6]C)(CH3)(H)	C(C[6]C[6,6]O[6]H)(CH3)(CCH)	H(CCC)	117.3930	0.000	1	117.3930	0.000	1	117.2596	1.048	15	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CH3)(H)	C(C[6]C[6]2H)(CN[5]HH)(CCH)	H(CCC)	C(CC[6]C)(CH3)(H)	C(C[6]C[6]2H)(CN[5]HH)(CCH)	H(CCC)	115.9040	0.000	1	115.9040	0.000	1	117.2596	1.048	15	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(CH3)(CCH)	H(CCC)	C(CC[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(CH3)(CCH)	H(CCC)	116.5340	0.000	1	116.5340	0.000	1	117.2596	1.048	15	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CHHN)(H)	C(C[6]C[6]2H)(CHHO)(CCH)	H(CCC)	C(CC[6]C)(CHHN)(H)	C(C[6]C[6]2H)(CHHO)(CCH)	H(CCC)	117.6745	0.607	2	117.6745	0.369	2	117.2596	1.048	15	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	4:4:3:	3:	C-3:C-4:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]C)(CHHO)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)	H(CCC)	C(CC[6]C)(CHHO)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)	H(CCC)	116.6365	0.387	2	116.6365	0.150	2	117.2596	1.048	15	117.0977	1.610	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	5:3:1:	3:	C-3:C-4:H-1:	C[3x3,4,3x5,14x6]-5:C-3:H-1:	C-3:	C(CC[3x3,4,3x5,14x6]H)(CH3)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(H)	H(CCC)	C(CC[3x3,4,3x5,14x6]H)(CH3)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(H)	H(CCC)	118.9260	0.000	1	118.9260	0.000	1	118.9260	0.000	1	118.9260	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:4:1:	6:3:1:	3:	C-3:Si-4:H-1:	B[4x3,5,4x6]-6:C-3:H-1:	C-3:	C(CB[4x3,5,4x6]H)(SiC3)(H)	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CSiH)(H)	H(CSiC)	C(CB[4x3,5,4x6]H)(SiC3)(H)	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CSiH)(H)	H(CSiC)	116.1460	0.000	2	116.1460	0.000	2	116.1460	0.000	2	116.1460	0.000	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	3:5:1:	3:3:1:	3:	C-3:B-5:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]H)(BRu2CH)(H)	C(C[6a]C[6a]2)(CBH)(H)	H(CBC)	C(CC[6a]H)(BRu2CH)(H)	C(C[6a]C[6a]2)(CBH)(H)	H(CBC)	116.8245	0.087	2	116.8245	0.008	2	116.8245	0.008	2	116.8245	0.008	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:C-3:H-1:	C-3:	C(CCCO)(CHO)(H)	C(OC[6a])(CCH)(H)	H(CCC)	C(CCCO)(CHO)(H)	C(OC[6a])(CCH)(H)	H(CCC)	114.7420	0.000	1	114.7420	0.000	1	118.6698	2.458	12	119.0697	4.332	13	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:C-3:H-1:	C-3:	C(CCHO)(CHO)(H)	C(OC[5])(CCH)(H)	H(CCC)	C(CCHO)(CHO)(H)	C(OC[5])(CCH)(H)	H(CCC)	119.0269	1.010	11	119.0269	1.021	11	118.6698	2.458	12	119.0697	4.332	13	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	2:3:1:	3:	P-4:C-3:H-1:	O-2:C-3:O-1:	C-3:	C(PC[6a]3)(COO)(H)	C(ON[6])(CHP)(O)	H(CCP)	C(PC[6a]3)(COO)(H)	C(ON[6])(CHP)(O)	H(CCP)	123.8680	0.000	1	123.8680	0.000	1	123.8680	0.000	1	119.0697	4.332	13	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	S-2:C-3:C-3:	C-3:	C(CCHH)(CCS)(H)	C(SC[6a])(CCH)(CNO)	H(CCC)	C(CCHH)(CCS)(H)	C(SC[6a])(CCH)(CNO)	H(CCC)	117.0180	0.000	1	117.0180	0.000	1	117.4440	3.935	3	117.4440	3.935	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	S-2:C-3:C-3:	C-3:	C(CH3)(CCS)(H)	C(SC[6a])(CCH)(CHN)	H(CCC)	C(CH3)(CCS)(H)	C(SC[6a])(CCH)(CHN)	H(CCC)	115.7080	0.000	1	115.7080	0.000	1	117.4440	3.935	3	117.4440	3.935	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	S-2:C-3:C-3:	C-3:	C(CHHN)(CCS)(H)	C(SC[6a])(CCC)(CCH)	H(CCC)	C(CHHN)(CCS)(H)	C(SC[6a])(CCC)(CCH)	H(CCC)	119.6060	0.000	1	119.6060	0.000	1	117.4440	3.935	3	117.4440	3.935	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	2:3:4:	3:	C[6]-4:C-3:H-1:	Se-2:C-3:C-4:	C-3:	C(C[6]C[6]2H)(CSeC)(H)	C(SeC[6a])(CC[6]H)(CHHP)	H(CC[6]C)	C(C[6]C[6]2H)(CSeC)(H)	C(SeC[6a])(CC[6]H)(CHHP)	H(CC[6]C)	116.1350	0.000	1	116.1350	0.000	1	116.1350	0.000	1	116.1350	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	2:4:3:	3:	C-4:C-3:H-1:	S-2:C-4:C-3:	C-3:	C(CCHS)(CCS)(H)	C(SC[6a])(CCHH)(CCH)	H(CCC)	C(CCHS)(CCS)(H)	C(SC[6a])(CCHH)(CCH)	H(CCC)	120.1400	0.000	1	120.1400	0.000	1	120.1400	0.000	1	119.4160	4.130	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	2:4:3:	3:	P-4:C-3:H-1:	N-2:C-4:C-3:	C-3:	C(PC[6a]3)(CCN)(H)	C(NC[6a])(CH3)(CHP)	H(CCP)	C(PC[6a]3)(CCN)(H)	C(NC[6a])(CH3)(CHP)	H(CCP)	119.9877	2.129	3	119.9877	4.533	3	119.9877	4.533	3	119.4160	4.130	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	2:4:3:	3:	S-4:C-3:H-1:	Se-2:C-4:C-3:	C-3:	C(SC[6a]OO)(CSeC)(H)	C(SeC[6a])(CCHH)(CHS)	H(CCS)	C(SC[6a]OO)(CSeC)(H)	C(SeC[6a])(CCHH)(CHS)	H(CCS)	116.9770	0.000	1	116.9770	0.000	1	116.9770	0.000	1	119.4160	4.130	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	B[5a]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(B[5a]N[5a,6a]2C[5])(CHH)(H)	C(CB[5a]H)(H)2	H(CB[5a]C)	C(B[5a]N[5a,6a]2C[5])(CHH)(H)	C(CB[5a]H)(H)2	H(CB[5a]C)	116.4900	0.000	1	116.4900	0.000	1	116.4900	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	B[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(B[6]N[5a,6]2C)(CHH)(H)	C(CB[6]H)(H)2	H(CB[6]C)	C(B[6]N[5a,6]2C)(CHH)(H)	C(CB[6]H)(H)2	H(CB[6]C)	116.9652	0.170	4	116.9652	0.029	4	116.9652	0.029	4	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:Br-1:Br-1:	C-3:	C(CC[6]HH)(CBr2)(H)	C(CCH)(Br)2	H(CCC)	C(CC[6]HH)(CBr2)(H)	C(CCH)(Br)2	H(CCC)	116.3250	0.000	1	116.3250	0.000	1	116.3250	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:C-1:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CCH)(C)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CCH)(C)(H)	H(CCC)	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:Cl-1:Cl-1:	C-3:	C(CHHO)(CCl2)(H)	C(CCH)(Cl)2	H(CCC)	C(CHHO)(CCl2)(H)	C(CCH)(Cl)2	H(CCC)	117.1672	0.749	4	117.1672	0.561	4	117.1672	0.561	4	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:F-1:F-1:	C-3:	C(CB[5]CH)(CFF)(H)	C(CCH)(F)2	H(CCC)	C(CB[5]CH)(CFF)(H)	C(CCH)(F)2	H(CCC)	117.6330	0.091	2	117.6330	0.008	2	117.6330	0.076	5	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:F-1:F-1:	C-3:	C(CC[6a]CH)(CFF)(H)	C(CCH)(F)2	H(CCC)	C(CC[6a]CH)(CFF)(H)	C(CCH)(F)2	H(CCC)	117.9620	0.000	1	117.9620	0.000	1	117.6330	0.076	5	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:F-1:F-1:	C-3:	C(CGeHH)(CFF)(H)	C(CCH)(F)2	H(CCC)	C(CGeHH)(CFF)(H)	C(CCH)(F)2	H(CCC)	117.2110	0.000	1	117.2110	0.000	1	117.6330	0.076	5	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:F-1:F-1:	C-3:	C(CSiCH)(CFF)(H)	C(CCH)(F)2	H(CCC)	C(CSiCH)(CFF)(H)	C(CCH)(F)2	H(CCC)	117.7260	0.000	1	117.7260	0.000	1	117.6330	0.076	5	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CBHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CBHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.7081	0.457	8	116.7081	0.209	8	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CB[5,5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CB[5,5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.6100	0.000	1	116.6100	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CB[5]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CB[5]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.3970	0.000	1	117.3970	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC3)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC3)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.1177	1.156	32	116.1177	1.337	32	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCCH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCCH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.4277	1.760	58	117.4277	3.096	58	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCCO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCCO)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.5658	1.184	11	116.5658	1.402	11	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCFH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCFH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.6300	0.000	1	117.6300	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.8642	2.595	229	116.8642	6.735	229	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCHN)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCHN)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.2900	1.039	15	117.2900	1.079	15	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCHO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCHO)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.7448	0.949	14	117.7448	0.901	14	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCHS)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCHS)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.7043	0.061	3	117.7043	0.004	3	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCHW)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCHW)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.3600	0.000	2	118.3600	0.000	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[3,5,5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[3,5,5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.4535	0.334	2	117.4535	0.112	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[3]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[3]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	115.2280	0.000	1	115.2280	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[3]HN)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[3]HN)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.4105	1.524	2	117.4105	2.322	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[3x6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[3x6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.1990	0.000	1	118.1990	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[4,5,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[4,5,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.8195	0.456	2	116.8195	0.208	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[4,5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[4,5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.2090	0.000	1	117.2090	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[4,5]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[4,5]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.6100	0.000	1	118.6100	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[4,6,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[4,6,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.2665	0.623	2	117.2665	0.388	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[4]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[4]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.1617	0.305	3	117.1617	0.093	3	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5,5,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5,5,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.7364	0.262	10	117.7364	0.068	10	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5,5]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5,5]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.2527	3.386	3	118.2527	11.467	3	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5,5]C[6a]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5,5]C[6a]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.7400	0.000	1	117.7400	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5,5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5,5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.0206	1.400	7	118.0206	1.961	7	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5,6,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5,6,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.1255	0.282	2	117.1255	0.080	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5,6]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5,6]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.4720	0.000	1	118.4720	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.5656	0.654	27	117.5656	0.428	27	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5,6]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5,6]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.7895	0.301	2	117.7895	0.090	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.5237	0.194	3	116.5237	0.038	3	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.4082	4.433	35	116.4082	19.653	35	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5]CO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5]CO)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.8600	0.465	2	116.8600	0.216	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5]C[6]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5]C[6]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.3990	0.000	1	116.3990	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5]FH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5]FH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.6220	0.137	2	117.6220	0.019	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.3536	1.280	74	117.3536	1.638	74	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5]HN)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5]HN)(CHH)(H)	C(CCH)(H)2	H(CCC)	119.1350	2.660	3	119.1350	7.074	3	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.1775	1.139	4	117.1775	1.297	4	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5a]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5a]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.8187	0.407	6	116.8187	0.165	6	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[5a]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[5a]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.6374	1.035	7	116.6374	1.071	7	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6,6]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6,6]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.4520	0.000	1	116.4520	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.6015	1.380	19	116.6015	1.903	19	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.9243	2.774	8	117.9243	7.695	8	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6]CO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6]CO)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.5563	0.690	4	116.5563	0.477	4	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6]FH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6]FH)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.3573	0.500	3	118.3573	0.250	3	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.1547	2.520	110	117.1547	6.350	110	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6]HN)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6]HN)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.4745	0.787	2	117.4745	0.619	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.5023	0.128	7	117.5023	0.016	7	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]2H)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]2H)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.1560	0.590	2	116.1560	0.348	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]2N)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]2N)(CHH)(H)	C(CCH)(H)2	H(CCC)	115.7120	0.288	2	115.7120	0.083	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.1995	1.578	17	117.1995	2.491	17	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.6418	2.035	72	117.6418	4.140	72	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]CN)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]CN)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.4670	0.000	1	117.4670	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]C[5]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]C[5]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.9947	0.973	16	117.9947	0.947	16	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]C[6]C)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]C[6]C)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.1490	0.054	2	116.1490	0.003	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]C[6]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]C[6]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.0992	1.773	9	118.0992	3.145	9	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]C[6]O)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]C[6]O)(CHH)(H)	C(CCH)(H)2	H(CCC)	115.6100	0.000	1	115.6100	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.3695	2.193	69	117.3695	4.809	69	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]HN)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]HN)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.2582	0.815	6	117.2582	0.664	6	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.8190	0.946	6	116.8190	0.895	6	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]HS)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]HS)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.5608	1.521	5	118.5608	2.313	5	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]N[5]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]N[5]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.3045	0.439	2	118.3045	0.193	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CC[6a]N[6a]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CC[6a]N[6a]H)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.4030	0.000	1	116.4030	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCl2S)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCl2S)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.3950	0.034	2	117.3950	0.001	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CCoCH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CCoCH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.5620	0.000	1	117.5620	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CDyCH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CDyCH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.8670	0.000	1	116.8670	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CFeCC)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CFeCC)(CHH)(H)	C(CCH)(H)2	H(CCC)	120.7495	0.523	2	120.7495	0.273	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CH3)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CH3)(CHH)(H)	C(CCH)(H)2	H(CCC)	109.3950	0.000	1	109.3950	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHHN)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CHHN)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.4881	1.884	147	117.4881	3.550	147	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHHO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CHHO)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.3479	2.760	114	117.3479	7.617	114	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHHP)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CHHP)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.5575	2.467	23	117.5575	6.085	23	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHHS)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CHHS)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.9225	3.971	23	116.9225	15.772	23	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CHNO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CHNO)(CHH)(H)	C(CCH)(H)2	H(CCC)	121.5900	0.000	1	121.5900	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CInHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CInHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.8230	0.560	6	118.8230	0.314	6	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CIrHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CIrHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.4155	0.315	2	116.4155	0.099	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CMgHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CMgHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	113.9837	3.394	3	113.9837	11.517	3	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[3x6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[3x6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.4130	0.000	1	118.4130	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[4,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[4,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.3150	0.000	1	117.3150	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[4]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[4]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.8940	0.324	8	117.8940	0.105	8	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[5,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[5,6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.1753	1.897	3	118.1753	3.597	3	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[5]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[5]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.4144	0.773	12	117.4144	0.597	12	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[5]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.3113	2.691	143	117.3113	7.243	143	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[5a]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[5a]CC)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.2680	0.000	1	116.2680	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[5a]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[5a]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.4173	1.599	78	117.4173	2.557	78	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[5a]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[5a]HO)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.8790	0.216	2	117.8790	0.047	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.8688	1.600	48	117.8688	2.561	48	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[6a]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[6a]CH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.3210	0.000	1	116.3210	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CN[6a]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CN[6a]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.2160	2.436	8	117.2160	5.934	8	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CNiHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CNiHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	114.4515	0.111	2	114.4515	0.012	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(COOU)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(COOU)(CHH)(H)	C(CCH)(H)2	H(CCC)	119.0890	0.769	2	119.0890	0.592	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CP[4]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CP[4]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.4070	0.000	1	117.4070	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CPdHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CPdHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.2765	0.907	2	117.2765	0.823	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CPtHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CPtHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.7810	0.000	1	116.7810	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CSeHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CSeHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	118.5430	0.000	1	118.5430	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CSiCC)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CSiCC)(CHH)(H)	C(CCH)(H)2	H(CCC)	115.6980	0.008	2	115.6980	0.000	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CSiHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CSiHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	117.1214	0.801	9	117.1214	0.641	9	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CSi[6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CSi[6]HH)(CHH)(H)	C(CCH)(H)2	H(CCC)	116.9158	0.152	6	116.9158	0.023	6	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CTaHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CTaHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	115.9315	0.067	2	115.9315	0.005	2	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(CZnHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	C(CZnHH)(CHH)(H)	C(CCH)(H)2	H(CCC)	115.1010	0.000	1	115.1010	0.000	1	117.2599	4.933	1606	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:I-1:	C-3:	C(CC3)(CHI)(H)	C(CCH)(H)(I)	H(CCC)	C(CC3)(CHI)(H)	C(CCH)(H)(I)	H(CCC)	117.4043	0.185	3	117.4043	0.034	3	116.9928	0.700	4	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:H-1:I-1:	C-3:	C(CN[5]HH)(CHI)(H)	C(CCH)(H)(I)	H(CCC)	C(CN[5]HH)(CHI)(H)	C(CCH)(H)(I)	H(CCC)	115.7580	0.000	1	115.7580	0.000	1	116.9928	0.700	4	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	C-3:O-1:O-1:	C-3:	C(CCHH)(COO)(H)	C(CCH)(O)2	H(CCC)	C(CCHH)(COO)(H)	C(CCH)(O)2	H(CCC)	112.0300	0.000	1	112.0300	0.000	1	112.0300	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3,5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHH)(H)	C(CC[3,5]H)(H)2	H(CC[3,5]C)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CHH)(H)	C(CC[3,5]H)(H)2	H(CC[3,5]C)	117.3940	0.000	1	117.3940	0.000	1	117.3940	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3]-4:C-3:H-1:	C-3:Cl-1:Cl-1:	C-3:	C(C[3]C[3]2H)(CCl2)(H)	C(CC[3]H)(Cl)2	H(CC[3]C)	C(C[3]C[3]2H)(CCl2)(H)	C(CC[3]H)(Cl)2	H(CC[3]C)	118.1415	0.052	2	118.1415	0.003	2	118.1415	0.003	2	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[3]C[3,5,6]C[3,5]C)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	C(C[3]C[3,5,6]C[3,5]C)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	116.0920	0.000	1	116.0920	0.000	1	117.7371	0.643	13	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[3]C[3,5]2H)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	C(C[3]C[3,5]2H)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	118.3050	0.000	1	118.3050	0.000	1	117.7371	0.643	13	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[3]C[3,5]C[3]H)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	C(C[3]C[3,5]C[3]H)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	117.9727	0.269	3	117.9727	0.072	3	117.7371	0.643	13	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[3]C[3,6]2H)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	C(C[3]C[3,6]2H)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	118.0840	0.894	2	118.0840	0.799	2	117.7371	0.643	13	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[3]C[3,6]C[3]H)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	C(C[3]C[3,6]C[3]H)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	118.2930	0.000	1	118.2930	0.000	1	117.7371	0.643	13	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[3]C[3]2C)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	C(C[3]C[3]2C)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	117.0910	0.550	2	117.0910	0.303	2	117.7371	0.643	13	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[3]C[3]2H)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	C(C[3]C[3]2H)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	118.4270	0.004	2	118.4270	0.000	2	117.7371	0.643	13	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[3]C[6a]C[3]2)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	C(C[3]C[6a]C[3]2)(CHH)(H)	C(CC[3]H)(H)2	H(CC[3]C)	116.7700	0.000	1	116.7700	0.000	1	117.7371	0.643	13	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3x6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[3x6]C[3x6]C[4x6]C[6,6])(CHH)(H)	C(CC[3x6]H)(H)2	H(CC[3x6]C)	C(C[3x6]C[3x6]C[4x6]C[6,6])(CHH)(H)	C(CC[3x6]H)(H)2	H(CC[3x6]C)	116.7680	0.000	1	116.7680	0.000	1	117.4540	0.941	2	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[3x6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[3x6]C[6,6,6a]2C[5,3x6])(CHH)(H)	C(CC[3x6]H)(H)2	H(CC[3x6]C)	C(C[3x6]C[6,6,6a]2C[5,3x6])(CHH)(H)	C(CC[3x6]H)(H)2	H(CC[3x6]C)	118.1400	0.000	1	118.1400	0.000	1	117.4540	0.941	2	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[4]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[4]C[4,5]C[4]H)(CHH)(H)	C(CC[4]H)(H)2	H(CC[4]C)	C(C[4]C[4,5]C[4]H)(CHH)(H)	C(CC[4]H)(H)2	H(CC[4]C)	119.4460	2.929	2	119.4460	8.578	2	118.5667	3.992	4	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[4]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[4]C[4]N[4]H)(CHH)(H)	C(CC[4]H)(H)2	H(CC[4]C)	C(C[4]C[4]N[4]H)(CHH)(H)	C(CC[4]H)(H)2	H(CC[4]C)	117.2960	0.000	1	117.2960	0.000	1	118.5667	3.992	4	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[4]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[4]C[4]O[4]H)(CHH)(H)	C(CC[4]H)(H)2	H(CC[4]C)	C(C[4]C[4]O[4]H)(CHH)(H)	C(CC[4]H)(H)2	H(CC[4]C)	118.0790	0.000	1	118.0790	0.000	1	118.5667	3.992	4	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5,5,6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6])(CHH)(H)	C(CC[5,5,6,6]H)(H)2	H(CC[5,5,6,6]C)	C(C[5,5,6,6]C[5,3x6]C[5,5,6]C[5,6])(CHH)(H)	C(CC[5,5,6,6]H)(H)2	H(CC[5,5,6,6]C)	117.4350	0.000	1	117.4350	0.000	1	117.4350	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5,5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(CHH)(H)	C(CC[5,5,6]H)(H)2	H(CC[5,5,6]C)	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(CHH)(H)	C(CC[5,5,6]H)(H)2	H(CC[5,5,6]C)	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5,5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5,5]C[5,5,6]2H)(CHH)(H)	C(CC[5,5]H)(H)2	H(CC[5,5]C)	C(C[5,5]C[5,5,6]2H)(CHH)(H)	C(CC[5,5]H)(H)2	H(CC[5,5]C)	117.5567	0.746	3	117.5567	0.556	3	117.0536	0.753	5	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5,5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5,5]C[5,5]C[5]2)(CHH)(H)	C(CC[5,5]H)(H)2	H(CC[5,5]C)	C(C[5,5]C[5,5]C[5]2)(CHH)(H)	C(CC[5,5]H)(H)2	H(CC[5,5]C)	116.2990	0.021	2	116.2990	0.000	2	117.0536	0.753	5	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5,6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(CHH)(H)	C(CC[5,6,6]H)(H)2	H(CC[5,6,6]C)	C(C[5,6,6]C[5,5,6,6]C[5,6]2)(CHH)(H)	C(CC[5,6,6]H)(H)2	H(CC[5,6,6]C)	115.9720	0.000	1	115.9720	0.000	1	115.9720	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	116.9270	0.684	2	116.9270	0.469	2	116.8133	1.111	15	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	C(C[5,6]C[5,5,6,6]C[6]O[5])(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	116.3870	0.000	1	116.3870	0.000	1	116.8133	1.111	15	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	115.3893	0.458	3	115.3893	0.210	3	116.8133	1.111	15	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5,6]C[5,6]2H)(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	C(C[5,6]C[5,6]2H)(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	117.8063	0.537	6	117.8063	0.288	6	116.8133	1.111	15	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	C(C[5,6]C[5,6]C[5]C[6])(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	115.8950	0.000	1	115.8950	0.000	1	116.8133	1.111	15	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5,6]C[5,6a]C[5,6]C[6])(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHH)(H)	C(CC[5,6]H)(H)2	H(CC[5,6]C)	116.5285	0.081	2	116.5285	0.007	2	116.8133	1.111	15	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:Cl-1:Cl-1:	C-3:	C(C[5]C[5]2Fe)(CCl2)(H)	C(CC[5]H)(Cl)2	H(CC[5]C)	C(C[5]C[5]2Fe)(CCl2)(H)	C(CC[5]H)(Cl)2	H(CC[5]C)	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:F-1:F-1:	C-3:	C(C[5]C[5]2H)(CFF)(H)	C(CC[5]H)(F)2	H(CC[5]C)	C(C[5]C[5]2H)(CFF)(H)	C(CC[5]H)(F)2	H(CC[5]C)	117.8380	0.000	1	117.8380	0.000	1	117.8380	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[3x5]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[3x5]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.7855	0.067	2	117.7855	0.005	2	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,3x6]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,3x6]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	118.3930	0.000	1	118.3930	0.000	1	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,5,6]O[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,5,6]O[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.7300	0.000	1	117.7300	0.000	1	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,5]C[5]C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,5]C[5]C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	116.3867	1.095	3	116.3867	1.199	3	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.6963	1.035	23	117.6963	1.070	23	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,5]N[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,5]N[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	118.1390	0.000	1	118.1390	0.000	1	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,5]O[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,5]O[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.7850	0.000	1	117.7850	0.000	1	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,6,6]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,6,6]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.4265	0.069	2	117.4265	0.005	2	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.2647	1.517	18	117.2647	2.302	18	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,6]C[6a]C[5])(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	116.4240	0.975	3	116.4240	0.951	3	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,6]O[5]C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,6]O[5]C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	116.9570	0.742	3	116.9570	0.550	3	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,6]O[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,6]O[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.6755	0.356	2	117.6755	0.127	2	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,6a]C[5]C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,6a]C[5]C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	116.3810	0.815	2	116.3810	0.664	2	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.4790	0.268	4	117.4790	0.072	4	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]2C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]2C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	116.9514	0.257	8	116.9514	0.066	8	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]2Fe)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]2Fe)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.3892	0.446	19	117.3892	0.199	19	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]2H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]2H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.3105	1.588	53	117.3105	2.521	53	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]2O)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]2O)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	116.6810	0.000	1	116.6810	0.000	1	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]2Ru)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]2Ru)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.2140	0.000	1	117.2140	0.000	1	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]2Zr)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]2Zr)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.4320	0.000	1	117.4320	0.000	1	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]N[5]C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]N[5]C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	118.3810	3.892	4	118.3810	15.149	4	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]N[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]N[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.9292	1.477	24	117.9292	2.183	24	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]N[5]O)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]N[5]O)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.6985	0.409	2	117.6985	0.168	2	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]O[5]C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]O[5]C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.4955	0.668	2	117.4955	0.447	2	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	118.0513	1.233	13	118.0513	1.520	13	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[6a]C[5]2)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	116.1055	0.852	4	116.1055	0.726	4	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]C[6a]C[5]N[5])(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]C[6a]C[5]N[5])(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	116.2560	0.000	1	116.2560	0.000	1	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]N[5,6]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]N[5,6]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.6900	0.328	5	117.6900	0.108	5	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]O[5]2C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]O[5]2C)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	118.8860	0.000	1	118.8860	0.000	1	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[5]Si[5]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	C(C[5]Si[5]C[5]H)(CHH)(H)	C(CC[5]H)(H)2	H(CC[5]C)	117.7893	1.464	3	117.7893	2.144	3	117.4646	1.777	208	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C(CC[6,6]H)(H)2	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C(CC[6,6]H)(H)2	H(CC[6,6]C)	117.0034	1.933	78	117.0034	3.736	78	117.0110	3.559	84	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6,6]C[5,5,3x6]C[6,6]C)(CHH)(H)	C(CC[6,6]H)(H)2	H(CC[6,6]C)	C(C[6,6]C[5,5,3x6]C[6,6]C)(CHH)(H)	C(CC[6,6]H)(H)2	H(CC[6,6]C)	116.3750	0.000	1	116.3750	0.000	1	117.0110	3.559	84	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6,6]C[6,6]2C[6])(CHH)(H)	C(CC[6,6]H)(H)2	H(CC[6,6]C)	C(C[6,6]C[6,6]2C[6])(CHH)(H)	C(CC[6,6]H)(H)2	H(CC[6,6]C)	116.8920	0.000	1	116.8920	0.000	1	117.0110	3.559	84	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6,6]C[6,6]2H)(CHH)(H)	C(CC[6,6]H)(H)2	H(CC[6,6]C)	C(C[6,6]C[6,6]2H)(CHH)(H)	C(CC[6,6]H)(H)2	H(CC[6,6]C)	118.6125	0.117	2	118.6125	0.014	2	117.0110	3.559	84	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	C(CC[6,6]H)(H)2	H(CC[6,6]C)	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	C(CC[6,6]H)(H)2	H(CC[6,6]C)	116.0830	0.660	2	116.0830	0.436	2	117.0110	3.559	84	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:Cl-1:Cl-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCl2)(H)	C(CC[6]H)(Cl)2	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCl2)(H)	C(CC[6]H)(Cl)2	H(CC[6]C)	116.8790	0.000	1	116.8790	0.000	1	116.8790	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:Cl-1:H-1:	C-3:	C(C[6]C[6]2C)(CClH)(H)	C(CC[6]H)(Cl)(H)	H(CC[6]C)	C(C[6]C[6]2C)(CClH)(H)	C(CC[6]H)(Cl)(H)	H(CC[6]C)	116.2130	0.000	1	116.2130	0.000	1	116.2130	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[3,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[3,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.9320	0.037	2	117.9320	0.001	2	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[3x6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[3x6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.5170	0.000	1	117.5170	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[5,6,6]O[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[5,6,6]O[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.7600	0.000	1	118.7600	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[5,6]C[6]C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[5,6]C[6]C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	116.3840	0.000	1	116.3840	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.0336	0.845	10	117.0336	0.715	10	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[5,6]N[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[5,6]N[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	114.6770	0.000	1	114.6770	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[5a,6]C[6]C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[5a,6]C[6]C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	115.0450	1.563	2	115.0450	2.442	2	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.5943	0.568	3	117.5943	0.322	3	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6]C[6]C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	115.3670	0.000	2	115.3670	0.000	2	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	116.9123	1.424	22	116.9123	2.029	22	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6]C[6]O)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6]C[6]O)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.0510	0.184	2	118.0510	0.034	2	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6]N[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6]N[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.5285	0.909	2	118.5285	0.826	2	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6]O[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6]O[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.3670	0.000	1	117.3670	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.1363	0.750	3	118.1363	0.563	3	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6a]C[6,6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6a]C[6,6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.1560	0.000	1	118.1560	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6a]C[6]C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6a]C[6]C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	115.5630	0.000	1	115.5630	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	119.1914	2.134	8	119.1914	4.554	8	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.6970	0.704	2	118.6970	0.496	2	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	116.9570	1.038	2	116.9570	1.078	2	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.0563	0.016	3	118.0563	0.000	3	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	115.1893	2.342	61	115.1893	5.483	61	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]2Cr)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6]2Cr)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.8370	0.000	1	118.8370	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.1486	1.466	31	118.1486	2.148	31	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]2O)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6]2O)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.5027	0.696	6	117.5027	0.485	6	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]2S)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6]2S)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.2460	0.000	1	117.2460	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]N[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6]N[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.5579	0.818	9	117.5579	0.669	9	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]O[6]C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6]O[6]C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	116.4917	1.567	9	116.4917	2.457	9	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.8821	1.982	18	117.8821	3.930	18	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]C[6a]C[6]2)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]C[6a]C[6]2)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	117.1870	0.000	1	117.1870	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]N[5,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]N[5,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.1940	0.000	1	118.1940	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	120.9058	1.639	6	120.9058	2.685	6	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]N[6,6a]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]N[6,6a]C[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	118.1700	0.000	1	118.1700	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]N[6]O[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]N[6]O[6]H)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	116.6930	0.000	1	116.6930	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(C[6]O[6]2C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	C(C[6]O[6]2C)(CHH)(H)	C(CC[6]H)(H)2	H(CC[6]C)	116.8940	0.000	1	116.8940	0.000	1	116.9955	4.792	217	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	C-3:H-1:I-1:	C-3:	C(C[6]C[6]O[6]H)(CHI)(H)	C(CC[6]H)(H)(I)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHI)(H)	C(CC[6]H)(H)(I)	H(CC[6]C)	117.5700	0.107	2	117.5700	0.012	2	117.5700	0.012	2	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Ge-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(GeO3)(CHH)(H)	C(CGeH)(H)2	H(CGeC)	C(GeO3)(CHH)(H)	C(CGeH)(H)2	H(CGeC)	117.3100	0.000	1	117.3100	0.000	1	117.3100	0.000	1	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	N-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(NC3)(CHH)(H)	C(CHN)(H)2	H(CCN)	C(NC3)(CHH)(H)	C(CHN)(H)2	H(CCN)	117.9453	1.185	4	117.9453	1.405	4	117.9453	1.405	4	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PBCC)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PBCC)(CHH)(H)	C(CHP)(H)2	H(CCP)	122.7810	2.092	8	122.7810	4.375	8	119.7240	8.814	28	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PC[6]2Ru)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PC[6]2Ru)(CHH)(H)	C(CHP)(H)2	H(CCP)	115.7585	0.057	2	115.7585	0.003	2	119.7240	8.814	28	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PC[6]CC)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PC[6]CC)(CHH)(H)	C(CHP)(H)2	H(CCP)	121.6320	3.226	3	121.6320	10.405	3	119.7240	8.814	28	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PC[6a]2Fe)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PC[6a]2Fe)(CHH)(H)	C(CHP)(H)2	H(CCP)	116.9820	0.000	1	116.9820	0.000	1	119.7240	8.814	28	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PC[6a]2O)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PC[6a]2O)(CHH)(H)	C(CHP)(H)2	H(CCP)	120.3670	0.000	1	120.3670	0.000	1	119.7240	8.814	28	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PC[6a]2Rh)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PC[6a]2Rh)(CHH)(H)	C(CHP)(H)2	H(CCP)	117.9725	1.703	2	117.9725	2.902	2	119.7240	8.814	28	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PC[6a]2Ru)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PC[6a]2Ru)(CHH)(H)	C(CHP)(H)2	H(CCP)	115.9155	1.063	2	115.9155	1.130	2	119.7240	8.814	28	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PC[6a]BC)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PC[6a]BC)(CHH)(H)	C(CHP)(H)2	H(CCP)	118.6195	0.514	2	118.6195	0.264	2	119.7240	8.814	28	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PC[6a]CO)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PC[6a]CO)(CHH)(H)	C(CHP)(H)2	H(CCP)	119.2880	0.395	6	119.2880	0.156	6	119.7240	8.814	28	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PIrCC)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PIrCC)(CHH)(H)	C(CHP)(H)2	H(CCP)	115.5190	0.000	1	115.5190	0.000	1	119.7240	8.814	28	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	S-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SC[5,6]PtO)(CHH)(H)	C(CHS)(H)2	H(CCS)	C(SC[5,6]PtO)(CHH)(H)	C(CHS)(H)2	H(CCS)	120.6700	0.496	2	120.6700	0.246	2	119.4379	2.875	7	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	S-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SC[5]CC)(CHH)(H)	C(CHS)(H)2	H(CCS)	C(SC[5]CC)(CHH)(H)	C(CHS)(H)2	H(CCS)	115.9630	0.000	1	115.9630	0.000	1	119.4379	2.875	7	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	S-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SC[6a]NO)(CHH)(H)	C(CHS)(H)2	H(CCS)	C(SC[6a]NO)(CHH)(H)	C(CHS)(H)2	H(CCS)	120.6930	0.000	1	120.6930	0.000	1	119.4379	2.875	7	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	S-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SC[6a]OO)(CHH)(H)	C(CHS)(H)2	H(CCS)	C(SC[6a]OO)(CHH)(H)	C(CHS)(H)2	H(CCS)	119.7360	0.000	1	119.7360	0.000	1	119.4379	2.875	7	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	S-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SNOO)(CHH)(H)	C(CHS)(H)2	H(CCS)	C(SNOO)(CHH)(H)	C(CHS)(H)2	H(CCS)	118.9620	0.000	1	118.9620	0.000	1	119.4379	2.875	7	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	S-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SN[6]OO)(CHH)(H)	C(CHS)(H)2	H(CCS)	C(SN[6]OO)(CHH)(H)	C(CHS)(H)2	H(CCS)	119.3710	0.000	1	119.3710	0.000	1	119.4379	2.875	7	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiC3)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiC3)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	117.7146	1.653	5	117.7146	2.732	5	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiCCO)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiCCO)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	117.5118	0.708	16	117.5118	0.501	16	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiC[3x3,4,3x5,14x6]CC)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	118.4002	0.475	13	118.4002	0.225	13	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiC[5]2O)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiC[5]2O)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	115.2367	0.952	3	115.2367	0.906	3	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiC[5]3)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiC[5]3)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	117.1520	0.000	1	117.1520	0.000	1	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiC[5]CC)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiC[5]CC)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	117.5490	0.000	1	117.5490	0.000	1	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiC[5]C[6]C)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiC[5]C[6]C)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	117.6750	0.000	1	117.6750	0.000	1	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiC[5x3,5x5,20x6]CC)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiC[5x3,5x5,20x6]CC)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	118.4847	0.385	6	118.4847	0.148	6	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiC[6a]2C)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiC[6a]2C)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	117.5984	0.312	5	117.5984	0.097	5	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiC[6a]CC)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiC[6a]CC)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	115.4650	4.366	3	115.4650	19.062	3	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiCl2C)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiCl2C)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	118.3720	0.000	1	118.3720	0.000	1	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiGe[3,3,4,4,4x6]C[6a]2)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiGe[3,3,4,4,4x6]C[6a]2)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	117.0000	0.000	1	117.0000	0.000	1	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:1:1:	3:	Si-4:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiO3)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiO3)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	118.2138	0.112	4	118.2138	0.012	4	117.6595	1.836	60	117.2874	4.537	2287	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CCH)(CC)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CCH)(CC)(H)	H(CCC)	116.4430	0.000	1	116.4430	0.000	1	117.1680	3.789	12	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCCN)(CCH)(H)	C(CCH)(CN)(H)	H(CCC)	C(CCCN)(CCH)(H)	C(CCH)(CN)(H)	H(CCC)	116.7435	0.569	2	116.7435	0.324	2	117.1680	3.789	12	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCH)(CC)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCH)(CC)(H)	H(CCC)	116.7895	2.782	4	116.7895	7.740	4	117.1680	3.789	12	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCH)(CN)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCH)(CN)(H)	H(CCC)	117.1490	0.000	1	117.1490	0.000	1	117.1680	3.789	12	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CCH)(CC)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CCH)(CC)(H)	H(CCC)	118.2000	0.000	1	118.2000	0.000	1	117.1680	3.789	12	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCH)(CN)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCH)(CN)(H)	H(CCC)	116.8765	2.894	2	116.8765	8.376	2	117.1680	3.789	12	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CCH)(CH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CCH)(CH)(H)	H(CCC)	119.8260	0.000	1	119.8260	0.000	1	117.1680	3.789	12	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CCHH)(CHN)(H)	C(CCH)(NC)(H)	H(CCC)	C(CCHH)(CHN)(H)	C(CCH)(NC)(H)	H(CCC)	120.0450	0.000	1	120.0450	0.000	1	118.2410	3.066	3	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CCHO)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	C(CCHO)(CHN)(H)	C(CCH)(NN)(H)	H(CCC)	118.1300	0.000	1	118.1300	0.000	1	118.2410	3.066	3	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(CHHN)(CHN)(H)	C(CCH)(NRh)(H)	H(CCC)	C(CHHN)(CHN)(H)	C(CCH)(NRh)(H)	H(CCC)	116.5480	0.000	1	116.5480	0.000	1	118.2410	3.066	3	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CCCO)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	C(CCCO)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	120.6150	0.000	1	120.6150	0.000	1	116.4531	3.290	18	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CCHH)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	C(CCHH)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	117.1700	1.210	4	117.1700	1.464	4	116.4531	3.290	18	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CC[5]CH)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	C(CC[5]CH)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	118.4975	0.124	2	118.4975	0.015	2	116.4531	3.290	18	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CC[5]HO)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	C(CC[5]HO)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	114.9366	0.809	7	114.9366	0.654	7	116.4531	3.290	18	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CC[6a]3)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	C(CC[6a]3)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	114.7190	0.000	1	114.7190	0.000	1	116.4531	3.290	18	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CH3)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	C(CH3)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	117.0480	0.191	2	117.0480	0.036	2	116.4531	3.290	18	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(CSi2H)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	C(CSi2H)(CHO)(H)	C(CCH)(OC)(H)	H(CCC)	116.4950	0.000	1	116.4950	0.000	1	116.4531	3.290	18	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(CCHH)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	C(CCHH)(COO)(H)	C(CCH)(OC)(O)	H(CCC)	123.0000	0.000	1	123.0000	0.000	1	123.0000	0.000	1	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C[3]-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(C[3]C[3]2C)(CHO)(H)	C(CC[3]H)(OC)(H)	H(CC[3]C)	C(C[3]C[3]2C)(CHO)(H)	C(CC[3]H)(OC)(H)	H(CC[3]C)	118.8970	0.000	1	118.8970	0.000	1	118.8970	0.000	1	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C[5,6]-4:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[5,6]C[5,6,6]C[5,6]H)(CCH)(H)	C(CC[5,6]H)(CC)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6,6]C[5,6]H)(CCH)(H)	C(CC[5,6]H)(CC)(H)	H(CC[5,6]C)	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	C-3:C-2:Br-1:	C-3:	C(C[5]C[5]2Fe)(CBrC)(H)	C(CC[5]H)(CC)(Br)	H(CC[5]C)	C(C[5]C[5]2Fe)(CBrC)(H)	C(CC[5]H)(CC)(Br)	H(CC[5]C)	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C(CC[5]H)(CN)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C(CC[5]H)(CN)(H)	H(CC[5]C)	117.4100	0.000	1	117.4100	0.000	1	118.4120	2.008	2	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	C-3:C-2:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[5]H)(CC)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[5]H)(CC)(H)	H(CC[5]C)	119.4140	0.000	1	119.4140	0.000	1	118.4120	2.008	2	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(C[5]C[5]2Fe)(CHS)(H)	C(CC[5]H)(SC)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CHS)(H)	C(CC[5]H)(SC)(H)	H(CC[5]C)	120.9030	0.349	2	120.9030	0.122	2	120.9030	0.122	2	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	C-3:N-2:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CHN)(H)	C(CC[6]H)(NC)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CHN)(H)	C(CC[6]H)(NC)(H)	H(CC[6]C)	117.6630	0.000	1	117.6630	0.000	1	117.6630	0.000	1	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHO)(H)	C(CC[6]H)(OC[6a])(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHO)(H)	C(CC[6]H)(OC[6a])(H)	H(CC[6]C)	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	C-3:S-2:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHS)(H)	C(CC[6]H)(SC[6a])(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHS)(H)	C(CC[6]H)(SC[6a])(H)	H(CC[6]C)	117.3950	0.000	1	117.3950	0.000	1	117.3950	0.000	1	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	N-4:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(NNiHH)(COO)(H)	C(CHN)(ONi)(O)	H(CCN)	C(NNiHH)(COO)(H)	C(CHN)(ONi)(O)	H(CCN)	107.1870	0.000	1	107.1870	0.000	1	107.1870	0.000	1	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	P-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(PC[6]2Ir)(CHO)(H)	C(CHP)(OIr)(H)	H(CCP)	C(PC[6]2Ir)(CHO)(H)	C(CHP)(OIr)(H)	H(CCP)	123.0790	0.000	1	123.0790	0.000	1	122.4264	7.066	5	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	P-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(PC[6]2Ni)(CHO)(H)	C(CHP)(ONi)(H)	H(CCP)	C(PC[6]2Ni)(CHO)(H)	C(CHP)(ONi)(H)	H(CCP)	124.2120	0.068	2	124.2120	0.005	2	122.4264	7.066	5	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	P-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(PC[6]2Rh)(CHO)(H)	C(CHP)(ORh)(H)	H(CCP)	C(PC[6]2Rh)(CHO)(H)	C(CHP)(ORh)(H)	H(CCP)	122.8180	0.000	1	122.8180	0.000	1	122.4264	7.066	5	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	P-4:C-3:H-1:	C-3:O-2:H-1:	C-3:	C(PC[6a]3)(CHO)(H)	C(CHP)(OC)(H)	H(CCP)	C(PC[6a]3)(CHO)(H)	C(CHP)(OC)(H)	H(CCP)	117.8110	0.000	1	117.8110	0.000	1	122.4264	7.066	5	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:1:	3:	P-4:C-3:H-1:	C-3:O-2:O-1:	C-3:	C(PC[6a]3)(COO)(H)	C(CHP)(OC)(O)	H(CCP)	C(PC[6a]3)(COO)(H)	C(CHP)(OC)(O)	H(CCP)	121.0900	0.000	1	121.0900	0.000	1	121.0900	0.000	1	117.5209	11.156	51	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:2:	3:	C[5]-4:C-3:H-1:	C-3:C-2:C-2:	C-3:	C(C[5]C[5]2Fe)(CCC)(H)	C(CC[5]H)(CC)2	H(CC[5]C)	C(C[5]C[5]2Fe)(CCC)(H)	C(CC[5]H)(CC)2	H(CC[5]C)	117.1240	0.000	1	117.1240	0.000	1	117.1240	0.000	1	117.1240	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:3:	3:	C-4:C-3:H-1:	C-3:S-2:C-3:	C-3:	C(CCHH)(CCS)(H)	C(CN[5]O)(SC[6a])(CCH)	H(CCC)	C(CCHH)(CCS)(H)	C(CN[5]O)(SC[6a])(CCH)	H(CCC)	115.8660	0.000	1	115.8660	0.000	1	115.8660	0.000	1	116.7202	0.493	6	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:3:	3:	C-4:C-3:H-1:	C[6a]-3:O-2:C-3:	C-3:	C(CC[6a]P[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(OB[5])(CCH)	H(CCC)	C(CC[6a]P[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(OB[5])(CCH)	H(CCC)	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	116.7202	0.493	6	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:3:	3:	C-4:C-3:H-1:	P-3:O-2:C-3:	C-3:	C(CC[6a]HP)(COP)(H)	C(PC[6a]2)(OB[5])(CCH)	H(CCC)	C(CC[6a]HP)(COP)(H)	C(PC[6a]2)(OB[5])(CCH)	H(CCC)	116.5205	0.037	2	116.5205	0.001	2	116.5205	0.001	2	116.7202	0.493	6	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:2:3:	3:	S-4:C-3:H-1:	C[6a]-3:Se-2:C-3:	C-3:	C(SC[6a]OO)(CC[6a]Se)(H)	C(C[6a]C[6a]2)(SeC[6a])(CHS)	H(CCS)	C(SC[6a]OO)(CC[6a]Se)(H)	C(C[6a]C[6a]2)(SeC[6a])(CHS)	H(CCS)	116.7040	0.048	2	116.7040	0.002	2	116.7040	0.002	2	116.7202	0.493	6	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	B-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(BC[6a]2C[6])(CCH)(H)	C(CBH)(CCC)(H)	H(CBC)	C(BC[6a]2C[6])(CCH)(H)	C(CBH)(CCC)(H)	H(CBC)	115.9050	0.000	1	115.9050	0.000	1	115.9050	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	B-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(BC[6a]2O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CBH)(H)	H(CBC)	C(BC[6a]2O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CBH)(H)	H(CBC)	117.2440	0.000	1	117.2440	0.000	1	115.3895	6.878	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	B-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(BC[6a]3)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CBH)(H)	H(CBC)	C(BC[6a]3)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CBH)(H)	H(CBC)	113.5350	0.000	1	113.5350	0.000	1	115.3895	6.878	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	B[5,5]-4:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(B[5,5]N[5,5]O[5]2)(CC[6]H)(H)	C(C[6]C[6]2)(CB[5,5]H)(H)	H(CB[5,5]C)	C(B[5,5]N[5,5]O[5]2)(CC[6]H)(H)	C(C[6]C[6]2)(CB[5,5]H)(H)	H(CB[5,5]C)	117.6300	0.000	1	117.6300	0.000	1	117.6300	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	B[5,5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(B[5,5]N[5,5]O[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[5,5]H)(H)	H(CB[5,5]C)	C(B[5,5]N[5,5]O[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[5,5]H)(H)	H(CB[5,5]C)	116.9570	0.000	1	116.9570	0.000	1	116.9570	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	B-3:C-3:H-1:	C-3:	C(CC3)(CBH)(H)	C(BC[5]2)(CCH)(H)	H(CCC)	C(CC3)(CBH)(H)	C(BC[5]2)(CCH)(H)	H(CCC)	115.3610	0.000	1	115.3610	0.000	1	116.7635	3.934	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	B-3:C-3:H-1:	C-3:	C(CCHH)(CBH)(H)	C(BOO)(CCH)(H)	H(CCC)	C(CCHH)(CBH)(H)	C(BOO)(CCH)(H)	H(CCC)	118.1660	0.000	1	118.1660	0.000	1	116.7635	3.934	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(CCHH)(CBrC)(H)	C(CCH)(CNO)(Br)	H(CCC)	C(CCHH)(CBrC)(H)	C(CCH)(CNO)(Br)	H(CCC)	116.2850	0.000	1	116.2850	0.000	1	116.2850	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:Cl-1:	C-3:	C(CCHH)(CClC)(H)	C(CCH)(CNO)(Cl)	H(CCC)	C(CCHH)(CClC)(H)	C(CCH)(CNO)(Cl)	H(CCC)	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:F-1:	C-3:	C(CH3)(CCF)(H)	C(CC[6a]O)(CCH)(F)	H(CCC)	C(CH3)(CCF)(H)	C(CC[6a]O)(CCH)(F)	H(CCC)	117.3050	0.000	1	117.3050	0.000	1	117.3050	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CBrCH)(CCH)(H)	C(CN[5a]O)(CCH)(H)	H(CCC)	C(CBrCH)(CCH)(H)	C(CN[5a]O)(CCH)(H)	H(CCC)	118.1355	0.801	2	118.1355	0.642	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC3)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CC3)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	115.8969	1.176	7	115.8969	1.383	7	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC3)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC3)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	116.8175	0.345	4	116.8175	0.119	4	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC3)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC3)(CCH)(H)	C(CCH)2(H)	H(CCC)	114.2690	0.000	1	114.2690	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	118.4947	1.232	4	118.4947	1.519	4	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	118.7500	0.000	1	118.7500	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	116.7450	0.000	1	116.7450	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	115.6680	0.000	1	115.6680	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.4921	2.119	34	117.4921	4.488	34	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	117.6120	0.000	1	117.6120	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	116.4938	1.312	4	116.4938	1.722	4	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCCN)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CCCN)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	116.8443	0.238	3	116.8443	0.057	3	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCCO)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CCCO)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	115.4780	0.000	1	115.4780	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCCO)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CCCO)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.4940	0.000	1	116.4940	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCFH)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	C(CCFH)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	117.1455	0.149	2	117.1455	0.022	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCFH)(CCH)(H)	C(CN[5a]O)(CCH)(H)	H(CCC)	C(CCFH)(CCH)(H)	C(CN[5a]O)(CCH)(H)	H(CCC)	117.7110	0.000	1	117.7110	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	117.4778	0.485	4	117.4778	0.236	4	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	117.1487	0.383	6	117.1487	0.147	6	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	116.3785	1.771	2	116.3785	3.138	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	117.4293	2.302	21	117.4293	5.298	21	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.8695	1.650	24	117.8695	2.723	24	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[5,6]O)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[5,6]O)(CCH)(H)	H(CCC)	116.2435	0.681	2	116.2435	0.464	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	117.2665	0.180	2	117.2665	0.033	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	117.6660	0.000	1	117.6660	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHN)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	C(CCHN)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	117.4021	0.590	12	117.4021	0.348	12	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHN)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CCHN)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	116.9310	0.590	8	116.9310	0.348	8	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHN)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CCHN)(CCH)(H)	C(CCH)2(H)	H(CCC)	118.3195	1.281	2	118.3195	1.640	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	118.3369	0.337	8	118.3369	0.113	8	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	113.5660	0.000	1	113.5660	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	116.6880	0.719	3	116.6880	0.517	3	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	117.5548	1.061	12	117.5548	1.126	12	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.7093	0.580	9	116.7093	0.336	9	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CC[5,6]O)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CC[5,6]O)(CCH)(H)	H(CCC)	116.7455	0.170	2	116.7455	0.029	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCOW)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CCOW)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.0327	0.345	3	115.0327	0.119	3	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[3]HH)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CC[3]HH)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	118.8410	0.000	1	118.8410	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[3]HO)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[3]HO)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	116.3930	0.000	1	116.3930	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[4]HH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[4]HH)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.0000	3.001	2	117.0000	9.006	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5,6,6]HH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[5,6,6]HH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	117.4612	0.756	4	117.4612	0.572	4	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]CC)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CC[5]CC)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	115.8710	0.000	1	115.8710	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]CH)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CC[5]CH)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	117.7272	0.284	4	117.7272	0.081	4	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]CH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[5]CH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	117.3490	0.680	7	117.3490	0.463	7	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]CH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[5]CH)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.9450	0.000	1	116.9450	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	116.8590	0.000	1	116.8590	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	118.2965	0.180	2	118.2965	0.033	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	117.9909	0.754	8	117.9909	0.568	8	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.7403	0.727	11	117.7403	0.529	11	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	118.3590	0.000	1	118.3590	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]HO)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	C(CC[5]HO)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	120.3610	0.000	1	120.3610	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]HO)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[5]HO)(CCH)(H)	C(CCH)2(H)	H(CCC)	112.5670	0.000	1	112.5670	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5]HO)(CCH)(H)	C(CC[5]O)(CCH)(H)	H(CCC)	C(CC[5]HO)(CCH)(H)	C(CC[5]O)(CCH)(H)	H(CCC)	116.5920	0.000	1	116.5920	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5a]CH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[5a]CH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	115.7710	0.000	1	115.7710	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5a]C[6a]H)(CCH)(H)	C(CN[5a]O)(CCH)(H)	H(CCC)	C(CC[5a]C[6a]H)(CCH)(H)	C(CN[5a]O)(CCH)(H)	H(CCC)	117.7363	0.207	3	117.7363	0.043	3	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5a]HH)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CC[5a]HH)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	115.5360	0.000	1	115.5360	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[5x3,5x5,20x6]CH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[5x3,5x5,20x6]CH)(CCH)(H)	C(CCH)2(H)	H(CCC)	120.8440	0.280	2	120.8440	0.078	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6,6]HH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[6,6]HH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	117.6792	0.582	4	117.6792	0.339	4	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]CH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[6]CH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	115.5380	0.000	1	115.5380	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]CH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6]CH)(CCH)(H)	C(CCH)2(H)	H(CCC)	118.2710	1.439	5	118.2710	2.071	5	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]HH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[6]HH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	117.6770	0.000	1	117.6770	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]HH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6]HH)(CCH)(H)	C(CCH)2(H)	H(CCC)	121.2730	4.753	2	121.2730	22.593	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6]HH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CC[6]HH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	116.5640	0.659	3	116.5640	0.435	3	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]2C)(CCH)(H)	C(CRuH)(CCH)(H)	H(CCC)	C(CC[6a]2C)(CCH)(H)	C(CRuH)(CCH)(H)	H(CCC)	117.9230	0.000	1	117.9230	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]CC)(CCH)(H)	C(CC[5]O)(CCH)(H)	H(CCC)	C(CC[6a]CC)(CCH)(H)	C(CC[5]O)(CCH)(H)	H(CCC)	115.9710	0.000	1	115.9710	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]CH)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CC[6a]CH)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	117.7410	0.000	1	117.7410	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]CH)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	C(CC[6a]CH)(CCH)(H)	C(CCH)(CCS)(H)	H(CCC)	112.9745	0.391	2	112.9745	0.153	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]CH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[6a]CH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	117.8200	0.057	2	117.8200	0.003	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]CH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6a]CH)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.1600	0.000	1	117.1600	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]HH)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CC[6a]HH)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	118.3095	0.090	2	118.3095	0.008	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]HH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6a]HH)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.8410	0.000	1	117.8410	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]HO)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CC[6a]HO)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	117.2190	0.000	1	117.2190	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]HO)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CC[6a]HO)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	116.8860	0.513	2	116.8860	0.264	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CC[6a]MoC)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CC[6a]MoC)(CCH)(H)	C(CCH)2(H)	H(CCC)	114.5040	0.000	1	114.5040	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CCl3)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CCl3)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	115.9150	0.000	1	115.9150	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CClCH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CClCH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	116.7560	4.145	2	116.7560	17.182	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CClCH)(CCH)(H)	C(CN[5a]O)(CCH)(H)	H(CCC)	C(CClCH)(CCH)(H)	C(CN[5a]O)(CCH)(H)	H(CCC)	116.5700	0.000	1	116.5700	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CF3)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CF3)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	118.5990	0.000	1	118.5990	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CF3)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CF3)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	123.5155	0.514	2	123.5155	0.264	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CF3)(CCH)(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	C(CF3)(CCH)(H)	C(CC[6a]N)(CCH)(H)	H(CCC)	118.4800	0.000	1	118.4800	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CFHH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CFHH)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.9390	0.000	1	116.9390	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CFeCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CFeCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	112.5355	0.401	10	112.5355	0.161	10	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CGaCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CGaCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	119.8500	0.000	1	119.8500	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCH)(CCO)(H)	H(CCC)	118.5540	2.323	3	118.5540	5.396	3	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCH)(CCP)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCH)(CCP)(H)	H(CCC)	118.1997	0.406	3	118.1997	0.165	3	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCH)(CHN)(H)	H(CCC)	115.8957	1.960	3	115.8957	3.841	3	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	116.9796	0.261	8	116.9796	0.068	8	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	116.8233	0.594	7	116.8233	0.352	7	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCH)2(H)	H(CCC)	117.7526	3.147	29	117.7526	9.903	29	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CCC)	117.4920	0.000	1	117.4920	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC[6a]C)(CCH)(H)	H(CCC)	117.9110	0.000	1	117.9110	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC[6a]O)(CCH)(H)	H(CCC)	117.6350	1.229	2	117.6350	1.510	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CN[5]O)(CCH)(H)	H(CCC)	118.3510	0.731	2	118.3510	0.535	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CN[6]O)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CN[6]O)(CCH)(H)	H(CCC)	117.2000	0.000	1	117.2000	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.7432	0.774	4	115.7432	0.600	4	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CHHO)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	C(CHHO)(CCH)(H)	C(CCC)(CCH)(H)	H(CCC)	119.8902	1.243	4	119.8902	1.545	4	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CHHO)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CHHO)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	117.7623	2.058	3	117.7623	4.234	3	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CHHO)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CHHO)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.6210	1.884	2	116.6210	3.548	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CHHP)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CHHP)(CCH)(H)	C(CCH)2(H)	H(CCC)	118.8935	0.665	2	118.8935	0.443	2	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CIrHH)(CCH)(H)	C(CIrO)(CCH)(H)	H(CCC)	C(CIrHH)(CCH)(H)	C(CIrO)(CCH)(H)	H(CCC)	121.3730	0.000	1	121.3730	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CLiCH)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	C(CLiCH)(CCH)(H)	C(CCH)(CHH)(H)	H(CCC)	118.6290	0.000	1	118.6290	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CMoCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CMoCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.3130	0.000	1	115.3130	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]CH)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	C(CN[5]CH)(CCH)(H)	C(CCH)(CNO)(H)	H(CCC)	117.2990	0.000	1	117.2990	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]CH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	C(CN[5]CH)(CCH)(H)	C(CCH)(COO)(H)	H(CCC)	116.2030	0.000	1	116.2030	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]HH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CN[5]HH)(CCH)(H)	C(CCH)2(H)	H(CCC)	116.7680	0.000	1	116.7680	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CN[5]HH)(CCH)(H)	C(CC[6]C)(CCH)(H)	H(CCC)	C(CN[5]HH)(CCH)(H)	C(CC[6]C)(CCH)(H)	H(CCC)	118.7770	0.000	1	118.7770	0.000	1	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CPdCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CPdCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	115.4553	0.173	9	115.4553	0.030	9	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(CRuCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	C(CRuCH)(CCH)(H)	C(CCH)2(H)	H(CCC)	114.5317	1.711	6	114.5317	2.928	6	117.2257	3.930	392	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:I-1:	C-3:	C(CCHH)(CCI)(H)	C(CCH)(CCN)(I)	H(CCC)	C(CCHH)(CCI)(H)	C(CCH)(CCN)(I)	H(CCC)	115.7810	0.000	1	115.7810	0.000	1	113.0902	24.128	4	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:I-1:	C-3:	C(CCHH)(CCI)(H)	C(CCH)(CHN)(I)	H(CCC)	C(CCHH)(CCI)(H)	C(CCH)(CHN)(I)	H(CCC)	115.4970	0.000	1	115.4970	0.000	1	113.0902	24.128	4	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:I-1:	C-3:	C(CCHH)(CCI)(H)	C(CCH)(CNO)(I)	H(CCC)	C(CCHH)(CCI)(H)	C(CCH)(CNO)(I)	H(CCC)	115.3560	0.000	1	115.3560	0.000	1	113.0902	24.128	4	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:C-3:I-1:	C-3:	C(CHHI)(CCI)(H)	C(CC[6a]S)(CCH)(I)	H(CCC)	C(CHHI)(CCI)(H)	C(CC[6a]S)(CCH)(I)	H(CCC)	105.7270	0.000	1	105.7270	0.000	1	113.0902	24.128	4	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:Cl-1:	C-3:	C(CCHO)(CClN)(H)	C(CCH)(NCS)(Cl)	H(CCC)	C(CCHO)(CClN)(H)	C(CCH)(NCS)(Cl)	H(CCC)	116.1500	0.109	2	116.1500	0.012	2	116.1500	0.012	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CCCH)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	C(CCCH)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	115.3234	1.274	5	115.3234	1.623	5	116.9072	3.880	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CCHH)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CCHH)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	118.3620	0.000	3	118.3620	0.000	3	116.9072	3.880	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CCHH)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	C(CCHH)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	117.8830	1.731	3	117.8830	2.995	3	116.9072	3.880	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CCHN)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CCHN)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	119.2950	0.000	1	119.2950	0.000	1	116.9072	3.880	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CCHO)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	C(CCHO)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	118.2380	0.000	1	118.2380	0.000	1	116.9072	3.880	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CC[5a]CC)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	C(CC[5a]CC)(CHN)(H)	C(CCH)(NCC)(H)	H(CCC)	113.6250	0.000	1	113.6250	0.000	1	116.9072	3.880	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CC[6a]2H)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	C(CC[6a]2H)(CHN)(H)	C(CCH)(NCH)(H)	H(CCC)	115.7070	0.098	2	115.7070	0.010	2	116.9072	3.880	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(CN[5a]HH)(CHN)(H)	C(CCH)(NCS)(H)	H(CCC)	C(CN[5a]HH)(CHN)(H)	C(CCH)(NCS)(H)	H(CCC)	119.4980	0.000	1	119.4980	0.000	1	116.9072	3.880	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:S-3:H-1:	C-3:	C(CH3)(CHS)(H)	C(CCH)(SCO)(H)	H(CCC)	C(CH3)(CHS)(H)	C(CCH)(SCO)(H)	H(CCC)	117.6220	0.000	1	117.6220	0.000	1	117.6220	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5a]CC)(CC[5]H)(H)	C(C[5]C[4,5]N[5])(CCH)(H)	H(CCC)	C(CC[5a]CC)(CC[5]H)(H)	C(C[5]C[4,5]N[5])(CCH)(H)	H(CCC)	115.3940	0.000	1	115.3940	0.000	1	115.1695	0.101	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[6]HH)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[6]HH)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	H(CCC)	114.9450	0.000	1	114.9450	0.000	1	115.1695	0.101	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:	C(CC[6a]CH)(CC[5]O)(H)	C(C[5]N[5]2)(CCH)(O)	H(CCC)	C(CC[6a]CH)(CC[5]O)(H)	C(C[5]N[5]2)(CCH)(O)	H(CCC)	119.2370	0.000	1	119.2370	0.000	1	119.2370	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5]HH)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	C(CC[5]HH)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	H(CCC)	117.3940	0.000	1	117.3940	0.000	1	119.0242	1.352	4	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]CH)(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	C(CC[5a]CH)(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	H(CCC)	119.0180	0.000	1	119.0180	0.000	1	119.0242	1.352	4	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(CN[6a]HH)(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	C(CN[6a]HH)(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	H(CCC)	119.8425	0.243	2	119.8425	0.059	2	119.0242	1.352	4	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:C-3:I-1:	C-3:	C(CC[6a]HH)(CC[5a]I)(H)	C(C[5a]C[5a]O[5a])(CCH)(I)	H(CCC)	C(CC[6a]HH)(CC[5a]I)(H)	C(C[5a]C[5a]O[5a])(CCH)(I)	H(CCC)	115.6470	0.000	1	115.6470	0.000	1	115.6470	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:Br-1:	C-3:	C(CC[6a]2H)(CC[6a]Br)(H)	C(C[6a]C[6a]2)(CCH)(Br)	H(CCC)	C(CC[6a]2H)(CC[6a]Br)(H)	C(C[6a]C[6a]2)(CCH)(Br)	H(CCC)	115.4480	0.000	1	115.4480	0.000	1	115.4480	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[5a]2H)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	C(CC[5a]2H)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	115.3570	0.000	1	115.3570	0.000	1	116.3596	0.362	5	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]2H)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	C(CC[6a]2H)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	116.4685	0.049	2	116.4685	0.002	2	116.3596	0.362	5	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(CC[6a]CH)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	C(CC[6a]CH)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	H(CCC)	116.7520	0.331	2	116.7520	0.110	2	116.3596	0.362	5	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CB[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CB[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	116.2870	0.000	1	116.2870	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[3]N[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[3]N[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.7260	0.000	1	117.7260	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.5780	0.717	3	117.5780	0.514	3	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5,6]C[6a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5,6]C[6a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.4130	0.000	1	118.4130	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5,6]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5,6]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.9380	0.000	1	117.9380	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.5740	0.000	1	118.5740	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5]CH)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	C(CC[5]CH)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	H(CCC)	117.0200	0.000	1	117.0200	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.3468	0.536	4	118.3468	0.287	4	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.6969	1.138	13	118.6969	1.294	13	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5]HN)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5]HN)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.3350	0.000	2	118.3350	0.000	2	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5]Os2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5]Os2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	116.8290	0.000	1	116.8290	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.7775	0.689	2	117.7775	0.475	2	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5a]C[6a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5a]C[6a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.7123	0.809	3	117.7123	0.655	3	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[5a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[5a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.4417	0.386	3	117.4417	0.149	3	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.6577	1.625	6	118.6577	2.640	6	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.0932	0.649	4	117.0932	0.422	4	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.1705	0.202	2	118.1705	0.041	2	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.0707	0.868	7	118.0707	0.753	7	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6]HS)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6]HS)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.4750	0.000	1	117.4750	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.9750	4.354	2	117.9750	18.960	2	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.3744	0.872	11	117.3744	0.760	11	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.2940	0.573	2	117.2940	0.328	2	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.3399	0.725	7	118.3399	0.526	7	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	116.9129	2.514	7	116.9129	6.321	7	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]HN)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]HN)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.4250	0.000	1	117.4250	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]HO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]HO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.1467	1.307	3	117.1467	1.710	3	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]HS)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]HS)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.5762	0.495	5	117.5762	0.245	5	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CC[6a]N[5a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CC[6a]N[5a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.9890	0.000	1	117.9890	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CN[5,5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CN[5,5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.6055	0.037	2	117.6055	0.001	2	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CN[5]2H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	C(CN[5]2H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	117.5500	0.000	1	117.5500	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CN[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CN[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.5350	0.782	3	118.5350	0.612	3	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CN[5a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CN[5a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	117.7609	0.479	9	117.7609	0.230	9	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CN[6]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	C(CN[6]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	H(CCC)	118.0854	0.956	12	118.0854	0.913	12	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(CN[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	C(CN[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	H(CCC)	118.3840	0.000	1	118.3840	0.000	1	117.8796	1.326	124	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:I-1:	C-3:	C(CC[6a]N[6]H)(CC[6a]I)(H)	C(C[6a]C[6a]2)(CCH)(I)	H(CCC)	C(CC[6a]N[6]H)(CC[6a]I)(H)	C(C[6a]C[6a]2)(CCH)(I)	H(CCC)	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CAlSi2)(CHN)(H)	C(NC[3x6]Al)(CCH)(H)	H(CCC)	C(CAlSi2)(CHN)(H)	C(NC[3x6]Al)(CCH)(H)	H(CCC)	119.9280	0.000	1	119.9280	0.000	1	119.5305	0.316	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(CHHN)(CHN)(H)	C(NC[6a]Cl)(CCH)(H)	H(CCC)	C(CHHN)(CHN)(H)	C(NC[6a]Cl)(CCH)(H)	H(CCC)	119.1330	0.000	1	119.1330	0.000	1	119.5305	0.316	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:	C(CC[5a]HH)(CN[5]H)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	C(CC[5a]HH)(CN[5]H)(H)	C(N[5]C[5]2)(CCH)(H)	H(CCC)	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	S-3:C-3:H-1:	C-3:	C(CCHO)(CHS)(H)	C(SC[6a]O)(CCH)(H)	H(CCC)	C(CCHO)(CHS)(H)	C(SC[6a]O)(CCH)(H)	H(CCC)	116.4460	0.000	1	116.4460	0.000	1	118.4330	3.121	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	S-3:C-3:H-1:	C-3:	C(CCOO)(CHS)(H)	C(SC[6a]O)(CCH)(H)	H(CCC)	C(CCOO)(CHS)(H)	C(SC[6a]O)(CCH)(H)	H(CCC)	119.8260	0.000	1	119.8260	0.000	1	118.4330	3.121	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	S-3:C-3:H-1:	C-3:	C(CRuCH)(CHS)(H)	C(SRu2)(CCH)(H)	H(CCC)	C(CRuCH)(CHS)(H)	C(SRu2)(CCH)(H)	H(CCC)	119.0270	0.000	1	119.0270	0.000	1	118.4330	3.121	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3,6]-4:C-3:H-1:	B[5]-3:C-3:H-1:	C-3:	C(C[3,6]C[3,6]C[6]O[3])(CB[5]H)(H)	C(B[5]O[5]2)(CC[3,6]H)(H)	H(CC[3,6]C)	C(C[3,6]C[3,6]C[6]O[3])(CB[5]H)(H)	C(B[5]O[5]2)(CC[3,6]H)(H)	H(CC[3,6]C)	116.8110	0.000	1	116.8110	0.000	1	116.8110	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C-3:C-3:F-1:	C-3:	C(C[3]C[3]2H)(CCF)(H)	C(CC[3]H)(COO)(F)	H(CC[3]C)	C(C[3]C[3]2H)(CCF)(H)	C(CC[3]H)(COO)(F)	H(CC[3]C)	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[3]C[3,5]2H)(CCH)(H)	C(CC[3]H)(CC[5]O)(H)	H(CC[3]C)	C(C[3]C[3,5]2H)(CCH)(H)	C(CC[3]H)(CC[5]O)(H)	H(CC[3]C)	113.3590	0.000	1	113.3590	0.000	1	116.9680	3.071	8	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[3]C[3]2H)(CCH)(H)	C(CC[3]H)(COO)(H)	H(CC[3]C)	C(C[3]C[3]2H)(CCH)(H)	C(CC[3]H)(COO)(H)	H(CC[3]C)	117.9923	1.197	3	117.9923	1.432	3	116.9680	3.071	8	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[3]C[3]N[3]H)(CCH)(H)	C(CC[3]H)(COO)(H)	H(CC[3]C)	C(C[3]C[3]N[3]H)(CCH)(H)	C(CC[3]H)(COO)(H)	H(CC[3]C)	118.1350	0.000	1	118.1350	0.000	1	116.9680	3.071	8	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[3]C[3]O[3]H)(CCH)(H)	C(CC[3]H)(CCO)(H)	H(CC[3]C)	C(C[3]C[3]O[3]H)(CCH)(H)	C(CC[3]H)(CCO)(H)	H(CC[3]C)	117.5600	0.000	1	117.5600	0.000	1	116.9680	3.071	8	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[3]C[3]P[3]H)(CCH)(H)	C(CC[3]H)(CCH)(H)	H(CC[3]C)	C(C[3]C[3]P[3]H)(CCH)(H)	C(CC[3]H)(CCH)(H)	H(CC[3]C)	116.3565	0.046	2	116.3565	0.002	2	116.9680	3.071	8	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[3]C[3,6]2H)(CHN)(H)	C(CC[3]H)(NCS)(H)	H(CC[3]C)	C(C[3]C[3,6]2H)(CHN)(H)	C(CC[3]H)(NCS)(H)	H(CC[3]C)	113.5930	0.000	1	113.5930	0.000	1	113.5930	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[3]Si[3,5]C[3]H)(CC[6]H)(H)	C(C[6]C[6]2)(CC[3]H)(H)	H(CC[3]C)	C(C[3]Si[3,5]C[3]H)(CC[6]H)(H)	C(C[6]C[6]2)(CC[3]H)(H)	H(CC[3]C)	113.6480	0.000	1	113.6480	0.000	1	113.6480	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[3]C[3,5]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3,5]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	115.9390	0.000	1	115.9390	0.000	1	118.0199	0.896	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[3]C[3,5]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3,5]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	119.3005	0.513	2	119.3005	0.263	2	118.0199	0.896	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[3]C[3,5]N[3,5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3,5]N[3,5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	118.4960	0.000	1	118.4960	0.000	1	118.0199	0.896	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[3]C[3]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	117.3210	0.000	1	117.3210	0.000	1	118.0199	0.896	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[3]C[3]2H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3]2H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[3]H)(H)	H(CC[3]C)	116.7790	0.000	1	116.7790	0.000	1	118.0199	0.896	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[3]C[3]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	117.9671	0.474	8	117.9671	0.224	8	118.0199	0.896	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[3]C[3]N[3]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3]N[3]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	119.0120	0.563	2	119.0120	0.317	2	118.0199	0.896	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[3]C[3]O[3]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3]O[3]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	H(CC[3]C)	117.4410	0.000	1	117.4410	0.000	1	118.0199	0.896	17	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[4,5x6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[4,5x6]C[4,4,3x6]C[4,3x6]C[6x6])(CCH)(H)	C(CC[4,5x6]H)(COO)(H)	H(CC[4,5x6]C)	C(C[4,5x6]C[4,4,3x6]C[4,3x6]C[6x6])(CCH)(H)	C(CC[4,5x6]H)(COO)(H)	H(CC[4,5x6]C)	116.3285	0.083	2	116.3285	0.007	2	116.3285	0.007	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[4,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[4,6]C[4,6]C[4]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4,6]H)(H)	H(CC[4,6]C)	C(C[4,6]C[4,6]C[4]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4,6]H)(H)	H(CC[4,6]C)	117.2280	0.000	1	117.2280	0.000	1	117.2280	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[4]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[4]C[4]2H)(CCH)(H)	C(CC[4]H)(CCH)(H)	H(CC[4]C)	C(C[4]C[4]2H)(CCH)(H)	C(CC[4]H)(CCH)(H)	H(CC[4]C)	116.7550	3.201	10	116.7550	10.245	10	116.9373	8.575	12	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[4]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[4]C[4]2H)(CCH)(H)	C(CC[4]H)(CCO)(H)	H(CC[4]C)	C(C[4]C[4]2H)(CCH)(H)	C(CC[4]H)(CCO)(H)	H(CC[4]C)	118.1060	0.000	1	118.1060	0.000	1	116.9373	8.575	12	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[4]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[4]C[4]N[4]H)(CCH)(H)	C(CC[4]H)(COO)(H)	H(CC[4]C)	C(C[4]C[4]N[4]H)(CCH)(H)	C(CC[4]H)(COO)(H)	H(CC[4]C)	117.5910	0.000	1	117.5910	0.000	1	116.9373	8.575	12	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[4]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[4]C[4]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	H(CC[4]C)	C(C[4]C[4]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	H(CC[4]C)	118.0428	0.933	9	118.0428	0.870	9	118.1364	0.682	12	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[4]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[4]C[4]N[4]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	H(CC[4]C)	C(C[4]C[4]N[4]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	H(CC[4]C)	118.4173	0.331	3	118.4173	0.110	3	118.1364	0.682	12	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,5,6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	C(CC[5,5,6]H)(CCH)(H)	H(CC[5,5,6]C)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	C(CC[5,5,6]H)(CCH)(H)	H(CC[5,5,6]C)	116.6880	0.000	1	116.6880	0.000	1	116.6880	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,5]H)(H)	H(CC[5,5]C)	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,5]H)(H)	H(CC[5,5]C)	117.3267	0.334	3	117.3267	0.112	3	117.3267	0.112	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	H(CC[5,6]C)	115.7305	0.040	2	115.7305	0.002	2	115.7328	0.426	5	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5,6]C[5,5,6]C[5,6]C)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6]C)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	H(CC[5,6]C)	115.4170	0.000	1	115.4170	0.000	1	115.7328	0.426	5	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	C(CC[5,6]H)(COO)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	C(CC[5,6]H)(COO)(H)	H(CC[5,6]C)	115.0120	0.000	1	115.0120	0.000	1	115.7328	0.426	5	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	C(CC[5,6]H)(CCO)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	C(CC[5,6]H)(CCO)(H)	H(CC[5,6]C)	116.7740	0.000	1	116.7740	0.000	1	115.7328	0.426	5	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	C(C[6]C[6]2)(CC[5,6]H)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6]2H)(CC[6]H)(H)	C(C[6]C[6]2)(CC[5,6]H)(H)	H(CC[5,6]C)	114.5937	2.149	3	114.5937	4.619	3	114.5937	4.619	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	124.3740	0.000	1	124.3740	0.000	1	118.2739	6.414	8	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5,6]C[5,5,6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	117.4790	0.000	1	117.4790	0.000	1	118.2739	6.414	8	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	117.4340	0.000	1	117.4340	0.000	1	118.2739	6.414	8	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	116.6705	0.501	2	116.6705	0.251	2	118.2739	6.414	8	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	118.0280	0.000	1	118.0280	0.000	1	118.2739	6.414	8	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	H(CC[5,6]C)	117.7675	0.617	2	117.7675	0.381	2	118.2739	6.414	8	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[5]C[5]2H)(CBrC)(H)	C(CC[5]H)(CCH)(Br)	H(CC[5]C)	C(C[5]C[5]2H)(CBrC)(H)	C(CC[5]H)(CCH)(Br)	H(CC[5]C)	119.8570	0.000	1	119.8570	0.000	1	119.8570	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	117.3060	0.973	3	117.3060	0.948	3	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]C)(CCH)(H)	C(CC[5]H)(CC[6]O)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]C)(CCH)(H)	C(CC[5]H)(CC[6]O)(H)	H(CC[5]C)	113.0490	0.000	1	113.0490	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	117.6990	1.989	3	117.6990	3.958	3	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	117.8110	0.000	1	117.8110	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5,6]H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5,6]H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	117.3185	0.037	2	117.3185	0.001	2	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]2)(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]2)(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	118.7030	0.000	1	118.7030	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	117.9540	0.000	1	117.9540	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]N)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]N)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	116.7790	0.000	1	116.7790	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	115.4200	0.000	1	115.4200	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	C(CC[5]H)(CCC)(H)	H(CC[5]C)	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	C(CC[5]H)(CCC)(H)	H(CC[5]C)	116.7750	0.000	1	116.7750	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2C)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2C)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	115.4605	1.620	2	115.4605	2.624	2	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2C)(CCH)(H)	C(CC[5]H)(CClC)(H)	H(CC[5]C)	C(C[5]C[5]2C)(CCH)(H)	C(CC[5]H)(CClC)(H)	H(CC[5]C)	119.0520	0.000	1	119.0520	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	116.3274	1.745	5	116.3274	3.045	5	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CHO)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CHO)(H)	H(CC[5]C)	115.6785	1.168	4	115.6785	1.364	4	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CNO)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CNO)(H)	H(CC[5]C)	116.6240	0.000	1	116.6240	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	117.1490	0.204	2	117.1490	0.041	2	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)2(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)2(H)	H(CC[5]C)	115.4035	1.504	4	115.4035	2.263	4	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[6a]O)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[6a]O)(CC[5]H)(H)	H(CC[5]C)	117.1864	0.491	9	117.1864	0.241	9	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	118.7241	1.585	26	118.7241	2.513	26	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	116.8650	0.000	1	116.8650	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CClC)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CClC)(H)	H(CC[5]C)	118.2070	0.000	1	118.2070	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	118.2092	0.837	4	118.2092	0.700	4	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2O)(CCH)(H)	C(CC[5]H)2(H)	H(CC[5]C)	C(C[5]C[5]2O)(CCH)(H)	C(CC[5]H)2(H)	H(CC[5]C)	116.0730	0.000	1	116.0730	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2Ru)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2Ru)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	117.3065	0.694	2	117.3065	0.481	2	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]2Si)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]2Si)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	116.7490	0.000	1	116.7490	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	117.9341	1.297	7	117.9341	1.683	7	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	116.2070	0.297	2	116.2070	0.088	2	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5]C)(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CCH)(H)	C(CC[5]H)(CCO)(H)	H(CC[5]C)	117.2000	0.000	1	117.2000	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	117.4420	0.000	1	117.4420	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[5]H)(CNN)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[5]H)(CNN)(H)	H(CC[5]C)	119.1360	0.000	1	119.1360	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[5]H)(COO)(H)	H(CC[5]C)	117.0880	0.746	4	117.0880	0.556	4	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[5]P[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[5]P[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	120.0590	0.187	2	120.0590	0.035	2	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[6a]C[5]2)(CCH)(H)	C(CC[5]H)(CBrC)(H)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CCH)(H)	C(CC[5]H)(CBrC)(H)	H(CC[5]C)	116.6570	0.000	1	116.6570	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]C[6a]C[5]2)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	120.6640	0.000	1	120.6640	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5]N[5]O[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	C(C[5]N[5]O[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	H(CC[5]C)	117.2560	0.000	1	117.2560	0.000	1	117.5463	2.714	100	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(C[5]C[5]2Co)(CHN)(H)	C(CC[5]H)(NCC)(H)	H(CC[5]C)	C(C[5]C[5]2Co)(CHN)(H)	C(CC[5]H)(NCC)(H)	H(CC[5]C)	118.6370	0.112	2	118.6370	0.012	2	118.6370	0.012	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]C[5,6]O[5]C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6]O[5]C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	H(CC[5]C)	117.3280	0.000	1	117.3280	0.000	1	116.8504	2.104	13	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]C[5,6]O[5]O)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6]O[5]O)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	H(CC[5]C)	118.2370	0.000	1	118.2370	0.000	1	116.8504	2.104	13	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[5]H)(H)	H(CC[5]C)	115.9395	1.573	4	115.9395	2.474	4	116.8504	2.104	13	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CC[5a]H)(H)	C(C[5a]N[5a,6]C[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CC[5a]H)(H)	C(C[5a]N[5a,6]C[5a])(CC[5]H)(H)	H(CC[5]C)	117.5086	0.819	5	117.5086	0.671	5	116.8504	2.104	13	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5]C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[5]H)(H)	H(CC[5]C)	114.3110	0.000	1	114.3110	0.000	1	116.8504	2.104	13	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[5]H)(H)	H(CC[5]C)	117.8780	0.000	1	117.8780	0.000	1	116.8504	2.104	13	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	117.1984	0.429	9	117.1984	0.184	9	117.2104	0.165	10	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5]C)(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CC[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	H(CC[5]C)	117.3180	0.000	1	117.3180	0.000	1	117.2104	0.165	10	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]B[5]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]B[5]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.1760	0.000	1	118.1760	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,5]C[5]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.3930	0.000	1	118.3930	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,5]N[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,5]N[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	121.2200	0.000	1	121.2200	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.2923	0.623	3	118.2923	0.388	3	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.9890	1.088	6	117.9890	1.183	6	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.1583	0.329	4	118.1583	0.108	4	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.1040	0.000	1	117.1040	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.0380	0.000	1	117.0380	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	115.7110	0.000	1	115.7110	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.3526	0.607	5	117.3526	0.369	5	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]C[5]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.4430	0.000	1	117.4430	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5,6a]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6a]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.9975	0.527	2	117.9975	0.278	2	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	115.3610	0.000	1	115.3610	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	H(CC[5]C)	116.9650	0.214	2	116.9650	0.046	2	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	115.8834	7.156	25	115.8834	51.206	25	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[5]H)(H)	H(CC[5]C)	117.6020	0.502	2	117.6020	0.252	2	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	116.5147	1.674	3	116.5147	2.801	3	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2N)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2N)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.5920	0.000	1	117.5920	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.0765	0.589	2	117.0765	0.347	2	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.5310	0.000	1	117.5310	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.5430	0.491	5	117.5430	0.241	5	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.0839	0.447	8	117.0839	0.200	8	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.0530	1.341	8	118.0530	1.799	8	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	117.0900	0.000	1	117.0900	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	115.9300	0.000	1	115.9300	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]N[5,5]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5,5]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.4920	0.000	1	118.4920	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.1490	0.000	1	118.1490	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.3614	0.221	5	118.3614	0.049	5	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	H(CC[5]C)	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	H(CC[5]C)	118.1900	0.000	1	118.1900	0.000	1	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	118.6085	0.418	2	118.6085	0.175	2	117.2100	14.206	97	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:I-1:	C-3:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	C(C[6a]C[6a]2)(CC[5]H)(I)	H(CC[5]C)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	C(C[6a]C[6a]2)(CC[5]H)(I)	H(CC[5]C)	117.3410	0.000	1	117.3410	0.000	1	117.3410	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	N[6a]-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CN[6a]H)(H)	C(N[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CN[6a]H)(H)	C(N[6a]C[6a]2)(CC[5]H)(H)	H(CC[5]C)	115.4218	0.283	4	115.4218	0.080	4	115.4218	0.080	4	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	P-3:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CHP)(H)	C(PC[6a]2)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CHP)(H)	C(PC[6a]2)(CC[5]H)(H)	H(CC[5]C)	115.7380	0.000	1	115.7380	0.000	1	115.7380	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6,6]C[3x6]2H)(CCH)(H)	C(CC[6,6]H)(CC[6a]O)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]2H)(CCH)(H)	C(CC[6,6]H)(CC[6a]O)(H)	H(CC[6,6]C)	118.3750	0.000	1	118.3750	0.000	1	117.2704	6.063	9	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6,6]C[5,3x6]C[6,6]H)(CCH)(H)	C(CC[6,6]H)(CCO)(H)	H(CC[6,6]C)	C(C[6,6]C[5,3x6]C[6,6]H)(CCH)(H)	C(CC[6,6]H)(CCO)(H)	H(CC[6,6]C)	116.9790	0.816	2	116.9790	0.666	2	117.2704	6.063	9	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6,6]C[5,6,6]2H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[5,6,6]2H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	H(CC[6,6]C)	115.4875	0.098	2	115.4875	0.010	2	117.2704	6.063	9	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	C(CC[6,6]H)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	C(CC[6,6]H)(CCH)(H)	H(CC[6,6]C)	119.0620	0.000	1	119.0620	0.000	1	117.2704	6.063	9	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	H(CC[6,6]C)	122.4590	0.000	1	122.4590	0.000	1	117.2704	6.063	9	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	C(CC[6,6]H)(CCN)(H)	H(CC[6,6]C)	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	C(CC[6,6]H)(CCN)(H)	H(CC[6,6]C)	115.3025	1.484	2	115.3025	2.203	2	117.2704	6.063	9	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	H(CC[6,6]C)	118.0738	1.310	5	118.0738	1.715	5	117.8243	1.432	7	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	H(CC[6,6]C)	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	H(CC[6,6]C)	116.6350	0.000	1	116.6350	0.000	1	117.8243	1.432	7	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	H(CC[6,6]C)	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	H(CC[6,6]C)	117.7660	0.000	1	117.7660	0.000	1	117.8243	1.432	7	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:Br-1:	C-3:	C(C[6]C[6]2H)(CBrC)(H)	C(CC[6]H)(CC[6]O)(Br)	H(CC[6]C)	C(C[6]C[6]2H)(CBrC)(H)	C(CC[6]H)(CC[6]O)(Br)	H(CC[6]C)	117.5950	0.994	2	117.5950	0.988	2	117.5950	0.988	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[5,6,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	C(C[6]C[5,6,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	117.8400	0.000	1	117.8400	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]C)(CCH)(H)	C(CC[5]O)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]C)(CCH)(H)	C(CC[5]O)(CC[6]H)(H)	H(CC[6]C)	112.9237	0.259	3	112.9237	0.067	3	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	115.7650	0.000	1	115.7650	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	117.5250	0.783	2	117.5250	0.614	2	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	115.4656	1.270	5	115.4656	1.613	5	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	117.9950	0.523	3	117.9950	0.273	3	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CC[6]H)(CNO)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CC[6]H)(CNO)(H)	H(CC[6]C)	116.3320	0.000	1	116.3320	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]C)(CCH)(H)	C(CC[6a]O)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]C)(CCH)(H)	C(CC[6a]O)(CC[6]H)(H)	H(CC[6]C)	115.5055	0.323	2	115.5055	0.104	2	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6]H)(CC[6]O)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6]H)(CC[6]O)(H)	H(CC[6]C)	118.0120	0.000	1	118.0120	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]O)(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]O)(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	117.7250	0.000	1	117.7250	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]N[6]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]N[6]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	116.9550	0.000	1	116.9550	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2C)(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	C(C[6]C[6]2C)(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	120.8270	0.000	1	120.8270	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	117.7430	0.000	1	117.7430	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2C)(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	C(C[6]C[6]2C)(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	116.8890	0.000	1	116.8890	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2C)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	C(C[6]C[6]2C)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	116.5995	0.016	2	116.5995	0.000	2	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2Cl)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2Cl)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	115.9130	0.000	1	115.9130	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCC)(H)	H(CC[6]C)	117.8755	0.138	2	117.8755	0.019	2	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	116.4294	1.888	18	116.4294	3.564	18	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	117.0277	1.393	3	117.0277	1.940	3	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2O)(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	C(C[6]C[6]2O)(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	117.2525	0.194	2	117.2525	0.038	2	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]2O)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	C(C[6]C[6]2O)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	119.0260	0.000	1	119.0260	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	121.4230	0.000	1	121.4230	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	117.6450	0.000	1	117.6450	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6]C)(CCH)(H)	C(CC[6]H)(CNO)(H)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CCH)(H)	C(CC[6]H)(CNO)(H)	H(CC[6]C)	120.7500	0.000	1	120.7500	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(CCO)(H)	H(CC[6]C)	115.0430	0.000	1	115.0430	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(COO)(H)	H(CC[6]C)	118.3970	0.000	1	118.3970	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6a]C[6]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6a]C[6]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	123.3730	0.000	1	123.3730	0.000	1	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]C[6a]C[6]2)(CCH)(H)	C(CC[6]H)(CHO)(H)	H(CC[6]C)	C(C[6]C[6a]C[6]2)(CCH)(H)	C(CC[6]H)(CHO)(H)	H(CC[6]C)	115.9395	0.272	2	115.9395	0.074	2	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[6]N[6]2C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]N[6]2C)(CCH)(H)	C(CC[6]H)(CCH)(H)	H(CC[6]C)	115.0845	0.196	2	115.0845	0.038	2	116.7955	4.227	63	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]C)(CC[5]H)(H)	C(C[5]C[5]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CC[5]H)(H)	C(C[5]C[5]2)(CC[6]H)(H)	H(CC[6]C)	116.8960	0.000	1	116.8960	0.000	1	118.0396	0.421	7	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C(C[5]C[5]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C(C[5]C[5]2)(CC[6]H)(H)	H(CC[6]C)	118.2302	0.447	6	118.2302	0.200	6	118.0396	0.421	7	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CC[5a]H)(H)	C(C[5a]C[5a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CC[5a]H)(H)	C(C[5a]C[5a]2)(CC[6]H)(H)	H(CC[6]C)	117.5120	0.000	1	117.5120	0.000	1	116.9004	4.463	7	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	H(CC[6]C)	117.0900	0.000	1	117.0900	0.000	1	116.9004	4.463	7	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	H(CC[6]C)	113.9560	0.000	2	113.9560	0.000	2	116.9004	4.463	7	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]N[6]2H)(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]N[6]2H)(CC[5a]H)(H)	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	H(CC[6]C)	118.7320	0.537	2	118.7320	0.289	2	116.9004	4.463	7	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:	C(C[6]N[6]2H)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	H(CC[6]C)	C(C[6]N[6]2H)(CC[5a]H)(H)	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	H(CC[6]C)	118.3250	0.000	1	118.3250	0.000	1	116.9004	4.463	7	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2Cr)(CC[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2Cr)(CC[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	H(CC[6]C)	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:Br-1:	C-3:	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	C(C[6a]C[6a]2)(CC[6]H)(Br)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	C(C[6a]C[6a]2)(CC[6]H)(Br)	H(CC[6]C)	117.7707	0.310	3	117.7707	0.096	3	117.7707	0.096	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.4590	0.614	4	117.4590	0.377	4	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.2705	0.805	2	117.2705	0.649	2	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.4900	0.549	2	117.4900	0.301	2	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	116.8720	0.000	1	116.8720	0.000	1	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	118.3488	2.707	5	118.3488	7.330	5	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	115.9900	0.000	1	115.9900	0.000	1	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.6070	0.007	2	117.6070	0.000	2	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.5920	0.000	1	117.5920	0.000	1	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.5205	0.856	6	117.5205	0.733	6	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2Cr)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2Cr)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.3945	0.103	2	117.3945	0.011	2	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	114.5020	0.000	1	114.5020	0.000	1	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.4053	0.918	14	117.4053	0.842	14	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]2O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	118.0400	0.000	1	118.0400	0.000	1	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	118.1254	1.028	9	118.1254	1.057	9	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.6870	0.000	1	117.6870	0.000	1	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	118.9528	2.063	13	118.9528	4.258	13	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	117.2840	0.000	1	117.2840	0.000	1	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]N[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]N[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	118.2425	0.011	2	118.2425	0.000	2	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	H(CC[6]C)	118.9570	0.000	1	118.9570	0.000	1	117.8670	2.153	69	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CN[5]H)(H)	C(N[5]C[5]2)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CN[5]H)(H)	C(N[5]C[5]2)(CC[6]H)(H)	H(CC[6]C)	118.0520	0.000	1	118.0520	0.000	1	118.0520	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Ge-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(GeC[6a]3)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CGeH)(H)	H(CGeC)	C(GeC[6a]3)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CGeH)(H)	H(CGeC)	113.8325	0.954	2	113.8325	0.910	2	113.8325	0.910	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC3)(CCH)(H)	C(CCH)(CHN)(H)	H(CCN)	C(NC3)(CCH)(H)	C(CCH)(CHN)(H)	H(CCN)	114.1133	6.193	3	114.1133	38.354	3	115.9812	28.752	5	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NC3)(CCH)(H)	C(CHN)(COO)(H)	H(CCN)	C(NC3)(CCH)(H)	C(CHN)(COO)(H)	H(CCN)	116.3200	0.000	1	116.3200	0.000	1	115.9812	28.752	5	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(NZnCC)(CCH)(H)	C(CHN)(CNO)(H)	H(CCN)	C(NZnCC)(CCH)(H)	C(CHN)(CNO)(H)	H(CCN)	121.2460	0.000	1	121.2460	0.000	1	115.9812	28.752	5	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(NFeCH)(CHN)(H)	C(NFeC)(CHN)(H)	H(CCN)	C(NFeCH)(CHN)(H)	C(NFeC)(CHN)(H)	H(CCN)	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	O-3:C-3:H-1:	C-3:	C(NCuCC)(CHO)(H)	C(OCuH)(CHN)(H)	H(CCN)	C(NCuCC)(CHO)(H)	C(OCuH)(CHN)(H)	H(CCN)	123.3380	0.000	1	123.3380	0.000	1	123.3380	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	N[5]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(N[5]C[5]2O)(CCH)(H)	C(CN[5]H)(COO)(H)	H(CN[5]C)	C(N[5]C[5]2O)(CCH)(H)	C(CN[5]H)(COO)(H)	H(CN[5]C)	119.0040	0.000	1	119.0040	0.000	1	119.0040	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	O-4:C-3:H-1:	O-3:C-3:H-1:	C-3:	C(OSrCH)(CHO)(H)	C(OSrC)(CHO)(H)	H(CCO)	C(OSrCH)(CHO)(H)	C(OSrC)(CHO)(H)	H(CCO)	107.6970	0.000	1	107.6970	0.000	1	107.6970	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(PC[6a]2Cu)(CCH)(H)	C(CCC)(CHP)(H)	H(CCP)	C(PC[6a]2Cu)(CCH)(H)	C(CCC)(CHP)(H)	H(CCP)	116.6665	0.132	2	116.6665	0.017	2	116.6593	0.009	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(PC[6a]3)(CCH)(H)	C(CSiH)(CHP)(H)	H(CCP)	C(PC[6a]3)(CCH)(H)	C(CSiH)(CHP)(H)	H(CCP)	116.6450	0.000	1	116.6450	0.000	1	116.6593	0.009	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:	C(PC[6a]3)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CHP)(O)	H(CCP)	C(PC[6a]3)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CHP)(O)	H(CCP)	120.8700	0.000	1	120.8700	0.000	1	120.8700	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(PC[6a]2S)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	H(CCP)	C(PC[6a]2S)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	H(CCP)	114.2590	0.000	1	114.2590	0.000	1	121.3940	38.183	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(PC[6a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	H(CCP)	C(PC[6a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	H(CCP)	124.9615	0.057	2	124.9615	0.003	2	121.3940	38.183	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:	C(PC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(O)	H(CCP)	C(PC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(O)	H(CCP)	120.9564	2.087	7	120.9564	4.357	7	120.9564	4.357	7	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(PC[6a]2Fe)(CHN)(H)	C(NFeC)(CHP)(H)	H(CCP)	C(PC[6a]2Fe)(CHN)(H)	C(NFeC)(CHP)(H)	H(CCP)	122.2300	0.000	1	122.2300	0.000	1	122.8005	0.346	47	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(PCoCC)(CHN)(H)	C(NCoC)(CHP)(H)	H(CCP)	C(PCoCC)(CHN)(H)	C(NCoC)(CHP)(H)	H(CCP)	123.0244	0.513	8	123.0244	0.263	8	122.8005	0.346	47	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(PFeCC)(CHN)(H)	C(NC[6a]Fe)(CHP)(H)	H(CCP)	C(PFeCC)(CHN)(H)	C(NC[6a]Fe)(CHP)(H)	H(CCP)	123.5300	0.699	2	123.5300	0.488	2	122.8005	0.346	47	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(PIrCC)(CHN)(H)	C(NIrC)(CHP)(H)	H(CCP)	C(PIrCC)(CHN)(H)	C(NIrC)(CHP)(H)	H(CCP)	122.5969	0.328	24	122.5969	0.107	24	122.8005	0.346	47	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(PNiCC)(CHN)(H)	C(NNiC)(CHP)(H)	H(CCP)	C(PNiCC)(CHN)(H)	C(NNiC)(CHP)(H)	H(CCP)	124.3807	0.106	3	124.3807	0.011	3	122.8005	0.346	47	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(POsCC)(CHN)(H)	C(NOsC)(CHP)(H)	H(CCP)	C(POsCC)(CHN)(H)	C(NOsC)(CHP)(H)	H(CCP)	122.4602	0.097	6	122.4602	0.009	6	122.8005	0.346	47	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	N-3:C-3:H-1:	C-3:	C(PRhCC)(CHN)(H)	C(NRhC)(CHP)(H)	H(CCP)	C(PRhCC)(CHN)(H)	C(NRhC)(CHP)(H)	H(CCP)	122.6373	0.070	3	122.6373	0.005	3	122.8005	0.346	47	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	P-3:C-3:H-1:	C-3:	C(PC[6a]2Ru)(CHP)(H)	C(PC[6a]2)(CHP)(H)	H(CCP)	C(PC[6a]2Ru)(CHP)(H)	C(PC[6a]2)(CHP)(H)	H(CCP)	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	P[4]-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(P[4]N[4]2N)(CCH)(H)	C(CP[4]H)(COO)(H)	H(CP[4]C)	C(P[4]N[4]2N)(CCH)(H)	C(CP[4]H)(COO)(H)	H(CP[4]C)	117.6550	0.000	1	117.6550	0.000	1	117.6550	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SCOO)(CCH)(H)	C(CCH)(CHS)(H)	H(CCS)	C(SCOO)(CCH)(H)	C(CCH)(CHS)(H)	H(CCS)	119.7960	0.000	1	119.7960	0.000	1	121.0405	16.159	4	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SC[6a]OO)(CCH)(H)	C(CCC)(CHS)(H)	H(CCS)	C(SC[6a]OO)(CCH)(H)	C(CCC)(CHS)(H)	H(CCS)	127.0090	0.000	1	127.0090	0.000	1	121.0405	16.159	4	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SC[6a]OO)(CCH)(H)	C(CCH)(CHS)(H)	H(CCS)	C(SC[6a]OO)(CCH)(H)	C(CCH)(CHS)(H)	H(CCS)	118.6785	0.385	2	118.6785	0.149	2	121.0405	16.159	4	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(SC[6a]OO)(CHN)(H)	C(CHS)(NCC)(H)	H(CCS)	C(SC[6a]OO)(CHN)(H)	C(CHS)(NCC)(H)	H(CCS)	120.0760	0.341	2	120.0760	0.116	2	120.0760	0.116	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(SC[6a]OO)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CHS)(Cl)	H(CCS)	C(SC[6a]OO)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CHS)(Cl)	H(CCS)	116.9757	0.673	3	116.9757	0.453	3	116.9757	0.453	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(SC[6a]OO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHS)(H)	H(CCS)	C(SC[6a]OO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHS)(H)	H(CCS)	119.6141	2.514	12	119.6141	6.318	12	119.6141	6.318	12	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C[6a]-3:C-3:I-1:	C-3:	C(SC[6a]OO)(CC[6a]I)(H)	C(C[6a]C[6a]2)(CHS)(I)	H(CCS)	C(SC[6a]OO)(CC[6a]I)(H)	C(C[6a]C[6a]2)(CHS)(I)	H(CCS)	114.9580	0.335	2	114.9580	0.112	2	114.9580	0.112	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CC[6a]O)(CSiH)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CC[6a]O)(CSiH)(H)	H(CSiC)	116.5710	0.000	1	116.5710	0.000	1	116.8640	5.001	22	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CSiH)(CCC)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CSiH)(CCC)(H)	H(CSiC)	116.8438	1.134	12	116.8438	1.286	12	116.8640	5.001	22	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CSiH)(CNO)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CSiH)(CNO)(H)	H(CSiC)	114.6565	0.397	2	114.6565	0.157	2	116.8640	5.001	22	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CSiH)(CNS)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CSiH)(CNS)(H)	H(CSiC)	115.3290	0.000	1	115.3290	0.000	1	116.8640	5.001	22	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CSiH)2(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CSiH)2(H)	H(CSiC)	118.5513	4.724	4	118.5513	22.320	4	116.8640	5.001	22	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SiSi2N)(CCH)(H)	C(CSiH)(CCN)(H)	H(CSiC)	C(SiSi2N)(CCH)(H)	C(CSiH)(CCN)(H)	H(CSiC)	116.4600	0.000	1	116.4600	0.000	1	116.8640	5.001	22	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si-4:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(SiSiNO)(CCH)(H)	C(CSiH)(CHP)(H)	H(CSiC)	C(SiSiNO)(CCH)(H)	C(CSiH)(CHP)(H)	H(CSiC)	117.0040	0.000	1	117.0040	0.000	1	116.8640	5.001	22	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si-4:C-3:H-1:	C-3:N-3:H-1:	C-3:	C(SiC3)(CHN)(H)	C(CSiH)(NLiC)(H)	H(CSiC)	C(SiC3)(CHN)(H)	C(CSiH)(NLiC)(H)	H(CSiC)	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(SiC[6a]3)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CSiH)(H)	H(CSiC)	C(SiC[6a]3)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CSiH)(H)	H(CSiC)	116.5860	0.000	1	116.5860	0.000	1	114.9125	5.601	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(SiC[6a]CC)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CSiH)(H)	H(CSiC)	C(SiC[6a]CC)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CSiH)(H)	H(CSiC)	113.2390	0.000	1	113.2390	0.000	1	114.9125	5.601	2	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(Si[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CSi[5]H)(H)	H(CSi[5]C)	C(Si[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CSi[5]H)(H)	H(CSi[5]C)	118.1940	0.000	1	118.1940	0.000	1	117.6163	0.367	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(Si[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi[5]H)(H)	H(CSi[5]C)	C(Si[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi[5]H)(H)	H(CSi[5]C)	117.6690	0.000	1	117.6690	0.000	1	117.6163	0.367	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:1:	3:	Si[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(Si[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CSi[5]H)(H)	H(CSi[5]C)	C(Si[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CSi[5]H)(H)	H(CSi[5]C)	116.9860	0.000	1	116.9860	0.000	1	117.6163	0.367	3	117.5900	5.921	1170	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:C-2:	C-3:	C(CC[6a]HO)(CCC)(H)	C(CCH)2(CC)	H(CCC)	C(CC[6a]HO)(CCC)(H)	C(CCH)2(CC)	H(CCC)	116.5020	0.000	1	116.5020	0.000	1	116.5020	0.000	1	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC3)(CCO)(H)	C(CC[6a]O)(CCH)(OC)	H(CCC)	C(CC3)(CCO)(H)	C(CC[6a]O)(CCH)(OC)	H(CCC)	115.0310	0.000	1	115.0310	0.000	1	118.0630	8.198	12	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CCCH)(CCO)(H)	C(CCH)(CCO)(OC)	H(CCC)	C(CCCH)(CCO)(H)	C(CCH)(CCO)(OC)	H(CCC)	121.9110	0.000	1	121.9110	0.000	1	118.0630	8.198	12	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[5]CH)(CCO)(H)	C(CCH)(CCO)(OC)	H(CCC)	C(CC[5]CH)(CCO)(H)	C(CCH)(CCO)(OC)	H(CCC)	119.6520	0.000	1	119.6520	0.000	1	118.0630	8.198	12	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[5]HH)(CCO)(H)	C(CCH)(COO)(OC)	H(CCC)	C(CC[5]HH)(CCO)(H)	C(CCH)(COO)(OC)	H(CCC)	114.6750	0.000	1	114.6750	0.000	1	118.0630	8.198	12	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]CH)(CCO)(H)	C(CCH)(COO)(OC)	H(CCC)	C(CC[6a]CH)(CCO)(H)	C(CCH)(COO)(OC)	H(CCC)	116.4543	0.646	3	116.4543	0.417	3	118.0630	8.198	12	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]CH)(CCO)(H)	C(CCH)2(OC)	H(CCC)	C(CC[6a]CH)(CCO)(H)	C(CCH)2(OC)	H(CCC)	116.3540	0.000	1	116.3540	0.000	1	118.0630	8.198	12	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CC[6a]HP)(CCO)(H)	C(CCH)(COO)(OPd)	H(CCC)	C(CC[6a]HP)(CCO)(H)	C(CCH)(COO)(OPd)	H(CCC)	119.9660	0.000	1	119.9660	0.000	1	118.0630	8.198	12	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CFe2S)(CCO)(H)	C(CCH)2(OFe)	H(CCC)	C(CFe2S)(CCO)(H)	C(CCH)2(OFe)	H(CCC)	123.8790	0.000	1	123.8790	0.000	1	118.0630	8.198	12	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CH3)(CCO)(H)	C(CCH)(CCN)(ONi)	H(CCC)	C(CH3)(CCO)(H)	C(CCH)(CCN)(ONi)	H(CCC)	119.2250	0.000	1	119.2250	0.000	1	118.0630	8.198	12	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(CSnCH)(CCO)(H)	C(CCH)2(OC)	H(CCC)	C(CSnCH)(CCO)(H)	C(CCH)2(OC)	H(CCC)	116.7000	0.000	1	116.7000	0.000	1	118.0630	8.198	12	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:C-3:S-2:	C-3:	C(CCHH)(CCS)(H)	C(CCH)(COO)(SC)	H(CCC)	C(CCHH)(CCS)(H)	C(CCH)(COO)(SC)	H(CCC)	118.6340	0.000	1	118.6340	0.000	1	118.6340	0.000	1	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:O-2:	C-3:	C(CH3)(CNO)(H)	C(CCH)(NCS)(OC)	H(CCC)	C(CH3)(CNO)(H)	C(CCH)(NCS)(OC)	H(CCC)	117.3135	0.203	4	117.3135	0.041	4	117.3135	0.041	4	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:S-2:	C-3:	C(CCHH)(CNS)(H)	C(CCH)(NHN)(SRu)	H(CCC)	C(CCHH)(CNS)(H)	C(CCH)(NHN)(SRu)	H(CCC)	118.7755	0.037	2	118.7755	0.001	2	118.7755	0.001	2	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:	C(CC[6a]HH)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NS)	H(CCC)	C(CC[6a]HH)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NS)	H(CCC)	120.6140	0.000	1	120.6140	0.000	1	120.6140	0.000	1	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	H(CCC)	C(CC[6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	H(CCC)	118.6865	0.210	2	118.6865	0.044	2	118.0603	1.338	6	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	C(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	H(CCC)	119.6100	0.000	1	119.6100	0.000	1	118.0603	1.338	6	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OP)	H(CCC)	C(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OP)	H(CCC)	117.8360	0.000	1	117.8360	0.000	1	118.0603	1.338	6	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OSi)	H(CCC)	C(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OSi)	H(CCC)	116.9810	0.000	1	116.9810	0.000	1	118.0603	1.338	6	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(CC[6a]P[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OB)	H(CCC)	C(CC[6a]P[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OB)	H(CCC)	116.5620	0.000	1	116.5620	0.000	1	118.0603	1.338	6	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:C-3:O-2:	C-3:	C(CH3)(CNO)(H)	C(NPtH)(CCH)(OC)	H(CCC)	C(CH3)(CNO)(H)	C(NPtH)(CCH)(OC)	H(CCC)	105.3470	0.000	1	105.3470	0.000	1	105.3470	0.000	1	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N[5]-3:C-3:O-2:	C-3:	C(CC[5a]CH)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(OC)	H(CCC)	C(CC[5a]CH)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(OC)	H(CCC)	117.5710	0.000	1	117.5710	0.000	1	117.5710	0.000	1	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C[3]-4:C-3:H-1:	C-3:N-3:C-2:	C-3:	C(C[3]C[3]2H)(CCN)(H)	C(CC[3]H)(NCS)(CC)	H(CC[3]C)	C(C[3]C[3]2H)(CCN)(H)	C(CC[3]H)(NCS)(CC)	H(CC[3]C)	116.7040	0.000	1	116.7040	0.000	1	116.7040	0.000	1	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C[4]-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[4]C[4,6]C[4]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[4]H)(OC)	H(CC[4]C)	C(C[4]C[4,6]C[4]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[4]H)(OC)	H(CC[4]C)	117.9940	0.000	1	117.9940	0.000	1	117.9940	0.000	1	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[5]C[5]2Fe)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	H(CC[5]C)	C(C[5]C[5]2Fe)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	H(CC[5]C)	114.8910	0.126	2	114.8910	0.016	2	114.9160	0.010	3	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:	C(C[5]C[5]2Fe)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	H(CC[5]C)	C(C[5]C[5]2Fe)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	H(CC[5]C)	114.9660	0.000	1	114.9660	0.000	1	114.9160	0.010	3	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[5]C[5]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OTi)	H(CC[5]C)	C(C[5]C[5]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OTi)	H(CC[5]C)	114.3840	0.000	1	114.3840	0.000	1	115.7040	3.485	2	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OC[6a])	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OC[6a])	H(CC[5]C)	117.0240	0.000	1	117.0240	0.000	1	115.7040	3.485	2	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6]C[6,6]C[6]H)(CCO)(H)	C(CC[6]H)(CCO)(OH)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCO)(H)	C(CC[6]H)(CCO)(OH)	H(CC[6]C)	118.7790	0.000	1	118.7790	0.000	1	118.2640	0.530	2	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(C[6]C[6]2H)(CCO)(H)	C(CC[6]H)(CC[6]O)(OC)	H(CC[6]C)	C(C[6]C[6]2H)(CCO)(H)	C(CC[6]H)(CC[6]O)(OC)	H(CC[6]C)	117.7490	0.000	1	117.7490	0.000	1	118.2640	0.530	2	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	P-4:C-3:H-1:	C-3:C-3:O-2:	C-3:	C(PC[6a]3)(CCO)(H)	C(CCC)(CHP)(OH)	H(CCP)	C(PC[6a]3)(CCO)(H)	C(CCC)(CHP)(OH)	H(CCP)	119.2070	0.288	2	119.2070	0.083	2	119.2070	0.083	2	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	P-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(PC[6a]2Mo)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OMo)	H(CCP)	C(PC[6a]2Mo)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OMo)	H(CCP)	123.2840	0.000	1	123.2840	0.000	1	121.0779	11.286	11	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	P-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(PC[6a]2N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OZn)	H(CCP)	C(PC[6a]2N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OZn)	H(CCP)	115.1230	0.000	1	115.1230	0.000	1	121.0779	11.286	11	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	P-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(PC[6a]2Ni)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(ONi)	H(CCP)	C(PC[6a]2Ni)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(ONi)	H(CCP)	123.4118	0.341	5	123.4118	0.116	5	121.0779	11.286	11	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	P-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(PC[6a]2Pd)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OP)	H(CCP)	C(PC[6a]2Pd)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OP)	H(CCP)	116.5805	1.945	2	116.5805	3.784	2	121.0779	11.286	11	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	P-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(PC[6a]2Rh)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(ORh)	H(CCP)	C(PC[6a]2Rh)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(ORh)	H(CCP)	121.6150	0.129	2	121.6150	0.017	2	121.0779	11.286	11	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	P-4:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(PC[6a]CO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CHP)(SC)	H(CCP)	C(PC[6a]CO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CHP)(SC)	H(CCP)	118.1350	0.170	2	118.1350	0.029	2	118.1350	0.029	2	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	S-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:	C(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHS)(OC)	H(CCS)	C(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHS)(OC)	H(CCS)	117.1400	0.000	1	117.1400	0.000	1	117.1400	0.000	1	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:2:	3:	S-4:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:	C(SC[6a]OO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CHS)(SC)	H(CCS)	C(SC[6a]OO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CHS)(SC)	H(CCS)	117.0930	0.000	1	117.0930	0.000	1	117.0930	0.000	1	118.1590	9.910	55	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:B-3:C-3:	C-3:	C(BC[6a]3)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CBH)	H(CBC)	C(BC[6a]3)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CBH)	H(CBC)	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C-3:S-3:	C-3:	C(BC[6a]3)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CBH)(SCC)	H(CBC)	C(BC[6a]3)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CBH)(SCC)	H(CBC)	114.8733	1.583	3	114.8733	2.506	3	114.8733	2.506	3	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	B[5,5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(B[5,5]N[5,5]O[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CB[5,5]H)	H(CB[5,5]C)	C(B[5,5]N[5,5]O[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CB[5,5]H)	H(CB[5,5]C)	113.6400	0.905	2	113.6400	0.819	2	113.6400	0.819	2	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCC)(CCH)(COO)	H(CCC)	C(CCHH)(CCC)(H)	C(CCC)(CCH)(COO)	H(CCC)	117.9680	1.513	2	117.9680	2.290	2	117.3146	6.512	9	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCH)2(COO)	H(CCC)	C(CCHH)(CCC)(H)	C(CCH)2(COO)	H(CCC)	116.1895	0.049	2	116.1895	0.002	2	117.3146	6.512	9	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[6a]C)(CCH)(COO)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[6a]C)(CCH)(COO)	H(CCC)	116.2500	0.000	1	116.2500	0.000	1	117.3146	6.512	9	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[6a]O)(CCC)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[6a]O)(CCC)(CCH)	H(CCC)	115.6950	0.000	1	115.6950	0.000	1	117.3146	6.512	9	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CF3)(CCC)(H)	C(CC[6a]O)2(CCH)	H(CCC)	C(CF3)(CCC)(H)	C(CC[6a]O)2(CCH)	H(CCC)	123.5740	0.000	1	123.5740	0.000	1	117.3146	6.512	9	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CH3)(CCC)(H)	C(CCH)2(COO)	H(CCC)	C(CH3)(CCC)(H)	C(CCH)2(COO)	H(CCC)	116.0860	0.000	1	116.0860	0.000	1	117.3146	6.512	9	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(CN[5]HH)(CCC)(H)	C(CCC)(CCH)(COO)	H(CCC)	C(CN[5]HH)(CCC)(H)	C(CCC)(CCH)(COO)	H(CCC)	115.9110	0.000	1	115.9110	0.000	1	117.3146	6.512	9	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCCH)(CCN)(H)	C(CCH)(CNO)(NCH)	H(CCC)	C(CCCH)(CCN)(H)	C(CCH)(CNO)(NCH)	H(CCC)	115.7120	0.000	1	115.7120	0.000	1	116.5172	0.551	5	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CCHH)(CCN)(H)	C(CCH)(COO)(NCS)	H(CCC)	C(CCHH)(CCN)(H)	C(CCH)(COO)(NCS)	H(CCC)	115.9730	0.000	1	115.9730	0.000	1	116.5172	0.551	5	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CC[6a]CH)(CCN)(H)	C(CCH)(COO)(NHS)	H(CCC)	C(CC[6a]CH)(CCN)(H)	C(CCH)(COO)(NHS)	H(CCC)	116.7735	0.654	2	116.7735	0.428	2	116.5172	0.551	5	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(CH3)(CCN)(H)	C(CCH)(CNO)(NCH)	H(CCC)	C(CH3)(CCN)(H)	C(CCH)(CNO)(NCH)	H(CCC)	117.3540	0.000	1	117.3540	0.000	1	116.5172	0.551	5	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:B-3:C-3:	C-3:	C(CC[5]HH)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	H(CCC)	C(CC[5]HH)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	H(CCC)	114.9050	0.949	2	114.9050	0.900	2	114.9050	0.900	2	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	116.8180	0.000	1	116.8180	0.000	1	116.0274	1.624	8	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]CH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	C(CC[6a]CH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)2	H(CCC)	113.7040	0.000	1	113.7040	0.000	1	116.0274	1.624	8	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]CO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(COO)	H(CCC)	C(CC[6a]CO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(COO)	H(CCC)	115.4245	0.958	2	115.4245	0.918	2	116.0274	1.624	8	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	C(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	H(CCC)	116.3460	0.330	3	116.3460	0.109	3	116.0274	1.624	8	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	H(CCC)	C(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	H(CCC)	117.8100	0.000	1	117.8100	0.000	1	116.0274	1.624	8	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(CC[6a]C[5]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	H(CCC)	C(CC[6a]C[5]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	H(CCC)	115.7830	0.197	2	115.7830	0.039	2	115.7830	0.039	2	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[5]HH)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[5]HH)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	117.4835	0.409	2	117.4835	0.168	2	116.6276	0.725	7	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	117.2090	0.000	1	117.2090	0.000	1	116.6276	0.725	7	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6]HH)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6]HH)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	115.1820	0.000	1	115.1820	0.000	1	116.6276	0.725	7	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]CH)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	C(CC[6a]CH)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	H(CCC)	116.3450	0.160	3	116.3450	0.026	3	116.6276	0.725	7	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(CC[6a]TiO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NTiC)(CCH)	H(CCC)	C(CC[6a]TiO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NTiC)(CCH)	H(CCC)	117.0115	0.442	2	117.0115	0.195	2	117.0115	0.195	2	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:C-3:C-3:	C-3:	C(CC[6a]CH)(CCN)(H)	C(NC[6a]H)(CCH)(COO)	H(CCC)	C(CC[6a]CH)(CCN)(H)	C(NC[6a]H)(CCH)(COO)	H(CCC)	115.3780	0.000	1	115.3780	0.000	1	115.3780	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	O-3:C-3:C-3:	C-3:	C(CCCO)(CCO)(H)	C(OZn2)(CCH)(CCN)	H(CCC)	C(CCCO)(CCO)(H)	C(OZn2)(CCH)(CCN)	H(CCC)	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[3,5]-4:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(C[3,5]C[3,5]C[3]C[5])(CCC)(H)	C(CC[3,5]H)(CCO)(COO)	H(CC[3,5]C)	C(C[3,5]C[3,5]C[3]C[5])(CCC)(H)	C(CC[3,5]H)(CCO)(COO)	H(CC[3,5]C)	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[3,5]-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[3,5]H)(COO)	H(CC[3,5]C)	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[3,5]H)(COO)	H(CC[3,5]C)	114.2190	0.000	1	114.2190	0.000	1	114.2190	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[3]-4:C-3:H-1:	C[6a]-3:B-3:C-3:	C-3:	C(C[3]C[3]2H)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CC[3]H)	H(CC[3]C)	C(C[3]C[3]2H)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CC[3]H)	H(CC[3]C)	116.2900	0.000	1	116.2900	0.000	1	116.2900	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[3]C[3]2N)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CC[3]H)	H(CC[3]C)	C(C[3]C[3]2N)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CC[3]H)	H(CC[3]C)	116.1530	0.000	1	116.1530	0.000	1	116.3747	0.064	3	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[3]C[3]2S)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]H)	H(CC[3]C)	C(C[3]C[3]2S)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]H)	H(CC[3]C)	116.4855	0.231	2	116.4855	0.053	2	116.3747	0.064	3	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]C[3]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[3]H)	H(CC[3]C)	C(C[3]C[3]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[3]H)	H(CC[3]C)	116.7090	0.000	1	116.7090	0.000	1	116.7090	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[4]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[4]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[4]H)	H(CC[4]C)	C(C[4]C[4]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[4]H)	H(CC[4]C)	116.1900	0.000	1	116.1900	0.000	1	115.2025	1.950	2	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[4]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[4]C[6a]C[4]N[4])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[4]H)	H(CC[4]C)	C(C[4]C[6a]C[4]N[4])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[4]H)	H(CC[4]C)	114.2150	0.000	1	114.2150	0.000	1	115.2025	1.950	2	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5,6]H)	H(CC[5,6]C)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5,6]H)	H(CC[5,6]C)	112.9870	0.000	1	112.9870	0.000	1	112.9870	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(C[5]C[5]N[5]H)(CCN)(H)	C(CC[5]H)(COO)(NCH)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCN)(H)	C(CC[5]H)(COO)(NCH)	H(CC[5]C)	118.7920	0.000	1	118.7920	0.000	1	118.7920	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	H(CC[5]C)	115.0140	0.000	1	115.0140	0.000	1	117.2660	10.143	2	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(C[5]C[5]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	H(CC[5]C)	119.5180	0.000	1	119.5180	0.000	1	117.2660	10.143	2	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[5]C[5]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCH)	H(CC[5]C)	C(C[5]C[5]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCH)	H(CC[5]C)	116.2635	0.559	2	116.2635	0.313	2	116.2635	0.313	2	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]C)	114.5770	0.610	2	114.5770	0.372	2	115.1068	1.095	5	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5]H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]C)	C(C[5]C[5,6a]C[5]H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]C)	116.5400	0.000	1	116.5400	0.000	1	115.1068	1.095	5	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(CC[6a]2)(H)	C(C[6a]C[6a]N[6a])2(CC[5]H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CC[6a]2)(H)	C(C[6a]C[6a]N[6a])2(CC[5]H)	H(CC[5]C)	115.7330	0.000	1	115.7330	0.000	1	115.1068	1.095	5	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[6a]C[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	H(CC[5]C)	114.1070	0.000	1	114.1070	0.000	1	115.1068	1.095	5	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	N[5a]-3:C-3:C-3:	C-3:	C(C[5]C[5]2Fe)(CN[5a]C)(H)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CC[5]H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CN[5a]C)(H)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CC[5]H)	H(CC[5]C)	115.3020	0.000	1	115.3020	0.000	1	115.3020	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	C-3:N-3:N-3:	C-3:	C(C[6]C[6]2H)(CNN)(H)	C(CC[6]H)(NCN)(NOO)	H(CC[6]C)	C(C[6]C[6]2H)(CNN)(H)	C(CC[6]H)(NCN)(NOO)	H(CC[6]C)	117.4030	0.000	1	117.4030	0.000	1	117.4030	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[6]C[6]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCC)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCC)	H(CC[6]C)	116.1200	0.000	1	116.1200	0.000	1	117.1928	0.751	4	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[6]C[6]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NHS)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NHS)	H(CC[6]C)	117.8000	0.000	1	117.8000	0.000	1	117.1928	0.751	4	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCH)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCH)	H(CC[6]C)	117.4255	0.791	2	117.4255	0.626	2	117.1928	0.751	4	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6]C[6]H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	116.4840	0.000	1	116.4840	0.000	1	116.0615	0.457	6	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	116.3650	0.000	1	116.3650	0.000	1	116.0615	0.457	6	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	115.4420	0.000	1	115.4420	0.000	1	116.0615	0.457	6	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	115.5275	0.368	2	115.5275	0.136	2	116.0615	0.457	6	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	H(CC[6]C)	117.0230	0.000	1	117.0230	0.000	1	116.0615	0.457	6	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	P-4:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(PC[6a]2N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CHP)	H(CCP)	C(PC[6a]2N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CHP)	H(CCP)	119.4610	0.662	3	119.4610	0.438	3	120.0627	5.163	6	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	P-4:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(PC[6a]2N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Zn)(CHP)	H(CCP)	C(PC[6a]2N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Zn)(CHP)	H(CCP)	116.8650	0.000	1	116.8650	0.000	1	120.0627	5.163	6	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	P-4:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(PC[6a]2Ni)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	H(CCP)	C(PC[6a]2Ni)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	H(CCP)	123.3100	0.000	1	123.3100	0.000	1	120.0627	5.163	6	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	P-4:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:	C(PC[6a]2Pd)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Pd)(CHP)	H(CCP)	C(PC[6a]2Pd)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Pd)(CHP)	H(CCP)	121.8180	0.000	1	121.8180	0.000	1	120.0627	5.163	6	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	P[6]-4:C-3:H-1:	C-3:C-3:C-3:	C-3:	C(P[6]O[6]2O)(CCC)(H)	C(CP[6]H)(CCC)2	H(CP[6]C)	C(P[6]O[6]2O)(CCC)(H)	C(CP[6]H)(CCC)2	H(CP[6]C)	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	P[6]-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(P[6]O[6]2O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	H(CP[6]C)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	H(CP[6]C)	116.1430	1.394	2	116.1430	1.944	2	116.1767	1.034	4	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	P[6]-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:	C(P[6]O[6]2O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	H(CP[6]C)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	H(CP[6]C)	116.2105	1.074	2	116.2105	1.154	2	116.1767	1.034	4	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C-3:C-3:N-3:	C-3:	C(SC[6a]OO)(CCN)(H)	C(CCF)(CHS)(NCH)	H(CCS)	C(SC[6a]OO)(CCN)(H)	C(CCF)(CHS)(NCH)	H(CCS)	117.8840	0.000	1	117.8840	0.000	1	117.8840	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(SC[6]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NHH)	H(CCS)	C(SC[6]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NHH)	H(CCS)	116.7585	0.066	2	116.7585	0.004	2	116.7223	0.565	4	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NCC)	H(CCS)	C(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NCC)	H(CCS)	115.7680	0.000	1	115.7680	0.000	1	116.7223	0.565	4	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:	C(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NHH)	H(CCS)	C(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NHH)	H(CCS)	117.6040	0.000	1	117.6040	0.000	1	116.7223	0.565	4	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(SC[6a]NO)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CHS)	H(CCS)	C(SC[6a]NO)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CHS)	H(CCS)	123.7710	0.000	1	123.7710	0.000	1	123.7710	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:3:	3:	Si-4:C-3:H-1:	C[6a]-3:P-3:C-3:	C-3:	C(SiC[6a]NN)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[5,6]N)(CSiH)	H(CSiC)	C(SiC[6a]NN)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[5,6]N)(CSiH)	H(CSiC)	115.7840	0.000	1	115.7840	0.000	1	115.7840	0.000	1	116.5256	4.023	93	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	C[3]-4:C-3:H-1:	B[5]-3:C-3:C-4:	C-3:	C(C[3]C[3]2H)(CB[5]C)(H)	C(B[5]O[5]2)(CC[3]H)(CCCH)	H(CC[3]C)	C(C[3]C[3]2H)(CB[5]C)(H)	C(B[5]O[5]2)(CC[3]H)(CCCH)	H(CC[3]C)	115.7537	0.064	3	115.7537	0.004	3	115.7537	0.004	3	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	C[3]-4:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[3]C[3]2H)(CCC)(H)	C(CC[3]H)(CC[5]O)(CH3)	H(CC[3]C)	C(C[3]C[3]2H)(CCC)(H)	C(CC[3]H)(CC[5]O)(CH3)	H(CC[3]C)	116.7079	0.584	8	116.7079	0.341	8	116.7079	0.341	8	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[3]C[3]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	H(CC[3]C)	C(C[3]C[3]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	H(CC[3]C)	116.1626	0.123	16	116.1626	0.015	16	116.0871	0.111	17	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[3]C[3]2P)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[3]H)(CHHS)	H(CC[3]C)	C(C[3]C[3]2P)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[3]H)(CHHS)	H(CC[3]C)	114.8780	0.000	1	114.8780	0.000	1	116.0871	0.111	17	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[5]C[5]2C)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCHH)	H(CC[5]C)	C(C[5]C[5]2C)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCHH)	H(CC[5]C)	115.7320	0.000	1	115.7320	0.000	1	115.7900	0.007	2	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(C[5]C[5]O[5]H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CH3)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CH3)	H(CC[5]C)	115.8480	0.000	1	115.8480	0.000	1	115.7900	0.007	2	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	C[6]-4:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C(CC[5]O)(CC[6]H)(CH3)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C(CC[5]O)(CC[6]H)(CH3)	H(CC[6]C)	117.6428	0.298	4	117.6428	0.089	4	117.4782	0.936	6	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	C[6]-4:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C(CC[6]H)(CC[6]O)(CH3)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C(CC[6]H)(CC[6]O)(CH3)	H(CC[6]C)	118.5790	0.000	1	118.5790	0.000	1	117.4782	0.936	6	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	C[6]-4:C-3:H-1:	C-3:C-3:C-4:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C(CC[6a]O)(CC[6]H)(CH3)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C(CC[6a]O)(CC[6]H)(CH3)	H(CC[6]C)	115.7190	0.000	1	115.7190	0.000	1	117.4782	0.936	6	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	C[6]-4:C-3:H-1:	C[4]-3:C-3:C-4:	C-3:	C(C[6]C[6]2H)(CC[4]C)(H)	C(C[4]C[4]2)(CC[6]H)(CH3)	H(CC[6]C)	C(C[6]C[6]2H)(CC[4]C)(H)	C(C[4]C[4]2)(CC[6]H)(CH3)	H(CC[6]C)	120.2490	0.000	1	120.2490	0.000	1	120.2775	0.002	2	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	C[6]-4:C-3:H-1:	C[4]-3:C-3:C-4:	C-3:	C(C[6]C[6]N[6]H)(CC[4]C)(H)	C(C[4]C[4]2)(CC[6]H)(CH3)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[4]C)(H)	C(C[4]C[4]2)(CC[6]H)(CH3)	H(CC[6]C)	120.3060	0.000	1	120.3060	0.000	1	120.2775	0.002	2	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	P[6]-4:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(P[6]O[6]2O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CP[6]H)(CH3)	H(CP[6]C)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CP[6]H)(CH3)	H(CP[6]C)	117.1670	0.000	1	117.1670	0.000	1	117.1670	0.000	1	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:3:4:	3:	Si[4]-4:C-3:H-1:	C[6a]-3:C-3:C-4:	C-3:	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CSi[4]H)(CC3)	H(CSi[4]C)	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CSi[4]H)(CC3)	H(CSi[4]C)	114.0220	0.000	1	114.0220	0.000	1	114.0220	0.000	1	116.5649	1.423	40	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	B[5,5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(B[5,5]N[5,5]O[5]2)(CCH)(H)	C(CB[5,5]H)(CH3)(H)	H(CB[5,5]C)	C(B[5,5]N[5,5]O[5]2)(CCH)(H)	C(CB[5,5]H)(CH3)(H)	H(CB[5,5]C)	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[3,5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[3,5]C[3,5]C[5]O[3])(CCH)(H)	C(CC[3,5]H)(CCCH)(H)	H(CC[3,5]C)	C(C[3,5]C[3,5]C[5]O[3])(CCH)(H)	C(CC[3,5]H)(CCCH)(H)	H(CC[3,5]C)	118.9430	0.000	1	118.9430	0.000	1	118.9430	0.000	1	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[3,5]-4:C-3:H-1:	C-3:Si-4:H-1:	C-3:	C(C[3,5]C[3,5,6]C[3,6]C[5])(CSiH)(H)	C(CC[3,5]H)(SiC3)(H)	H(CC[3,5]C)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CSiH)(H)	C(CC[3,5]H)(SiC3)(H)	H(CC[3,5]C)	116.5360	0.000	1	116.5360	0.000	1	116.7330	0.039	3	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[3,5]-4:C-3:H-1:	C-3:Si-4:H-1:	C-3:	C(C[3,5]C[3,5]C[3]C[5])(CSiH)(H)	C(CC[3,5]H)(SiC3)(H)	H(CC[3,5]C)	C(C[3,5]C[3,5]C[3]C[5])(CSiH)(H)	C(CC[3,5]H)(SiC3)(H)	H(CC[3,5]C)	116.8315	0.138	2	116.8315	0.019	2	116.7330	0.039	3	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[3]-4:C-3:H-1:	C-3:C-4:Cl-1:	C-3:	C(C[3]C[3]2H)(CClC)(H)	C(CC[3]H)(CF3)(Cl)	H(CC[3]C)	C(C[3]C[3]2H)(CClC)(H)	C(CC[3]H)(CF3)(Cl)	H(CC[3]C)	117.1297	0.385	9	117.1297	0.148	9	117.1297	0.148	9	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[3]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[3]C[3,6]2C)(CCH)(H)	C(CC[3]H)(CH3)(H)	H(CC[3]C)	C(C[3]C[3,6]2C)(CCH)(H)	C(CC[3]H)(CH3)(H)	H(CC[3]C)	117.0600	0.000	1	117.0600	0.000	1	116.7154	0.273	24	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[3]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[3]C[3]2H)(CCH)(H)	C(CC[3]H)(CCCH)(H)	H(CC[3]C)	C(C[3]C[3]2H)(CCH)(H)	C(CC[3]H)(CCCH)(H)	H(CC[3]C)	116.6848	0.144	18	116.6848	0.021	18	116.7154	0.273	24	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[3]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[3]C[3]2H)(CCH)(H)	C(CC[3]H)(CHHO)(H)	H(CC[3]C)	C(C[3]C[3]2H)(CCH)(H)	C(CC[3]H)(CHHO)(H)	H(CC[3]C)	116.6200	0.045	3	116.6200	0.002	3	116.7154	0.273	24	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[3]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[3]C[3]N[3]H)(CCH)(H)	C(CC[3]H)(CCHH)(H)	H(CC[3]C)	C(C[3]C[3]N[3]H)(CCH)(H)	C(CC[3]H)(CCHH)(H)	H(CC[3]C)	115.2840	0.000	1	115.2840	0.000	1	116.7154	0.273	24	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[3]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[3]C[3]O[3]H)(CCH)(H)	C(CC[3]H)(CCHO)(H)	H(CC[3]C)	C(C[3]C[3]O[3]H)(CCH)(H)	C(CC[3]H)(CCHO)(H)	H(CC[3]C)	118.6400	0.000	1	118.6400	0.000	1	116.7154	0.273	24	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[3]-4:C-3:H-1:	C-3:Si-4:H-1:	C-3:	C(C[3]C[3]2H)(CSiH)(H)	C(CC[3]H)(SiC3)(H)	H(CC[3]C)	C(C[3]C[3]2H)(CSiH)(H)	C(CC[3]H)(SiC3)(H)	H(CC[3]C)	119.8297	3.749	3	119.8297	14.052	3	119.8297	14.052	3	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[4]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[4]C[4]2H)(CCH)(H)	C(CC[4]H)(CH3)(H)	H(CC[4]C)	C(C[4]C[4]2H)(CCH)(H)	C(CC[4]H)(CH3)(H)	H(CC[4]C)	117.7665	0.439	2	117.7665	0.193	2	117.5033	0.304	3	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[4]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[4]C[4]O[4]H)(CCH)(H)	C(CC[4]H)(CH3)(H)	H(CC[4]C)	C(C[4]C[4]O[4]H)(CCH)(H)	C(CC[4]H)(CH3)(H)	H(CC[4]C)	116.9770	0.000	1	116.9770	0.000	1	117.5033	0.304	3	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5,5,6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCH)(H)	C(CC[5,5,6]H)(CCHH)(H)	H(CC[5,5,6]C)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCH)(H)	C(CC[5,5,6]H)(CCHH)(H)	H(CC[5,5,6]C)	113.8420	0.000	1	113.8420	0.000	1	113.8420	0.000	1	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5,5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	C(CC[5,5]H)(CCHH)(H)	H(CC[5,5]C)	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	C(CC[5,5]H)(CCHH)(H)	H(CC[5,5]C)	117.9490	0.000	1	117.9490	0.000	1	117.6780	0.091	3	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5,5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	C(CC[5,5]H)(CH3)(H)	H(CC[5,5]C)	C(C[5,5]C[5,5]N[5]O[5])(CCH)(H)	C(CC[5,5]H)(CH3)(H)	H(CC[5,5]C)	117.5425	0.267	2	117.5425	0.071	2	117.6780	0.091	3	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5,6]C[5,6,6]C[5]C[6])(CCH)(H)	C(CC[5,6]H)(CC[5]CC)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6,6]C[5]C[6])(CCH)(H)	C(CC[5,6]H)(CC[5]CC)(H)	H(CC[5,6]C)	113.7920	0.000	1	113.7920	0.000	1	115.4970	2.541	3	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5,6]C[5,6]2O)(CCH)(H)	C(CC[5,6]H)(CCCH)(H)	H(CC[5,6]C)	C(C[5,6]C[5,6]2O)(CCH)(H)	C(CC[5,6]H)(CCCH)(H)	H(CC[5,6]C)	115.7490	0.000	1	115.7490	0.000	1	115.4970	2.541	3	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5,6]C[5a,6]N[5,6]C[5])(CCH)(H)	C(CC[5,6]H)(CH3)(H)	H(CC[5,6]C)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCH)(H)	C(CC[5,6]H)(CH3)(H)	H(CC[5,6]C)	116.9500	0.000	1	116.9500	0.000	1	115.4970	2.541	3	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5,5]C[5]H)(CCH)(H)	C(CC[5]H)(CHHO)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C(CC[5]H)(CHHO)(H)	H(CC[5]C)	116.5820	0.000	1	116.5820	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5,5]C[5]O)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]O)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	116.9170	0.120	2	116.9170	0.014	2	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5,5]C[5]O)(CCH)(H)	C(CC[5]H)(CHHO)(H)	H(CC[5]C)	C(C[5]C[5,5]C[5]O)(CCH)(H)	C(CC[5]H)(CHHO)(H)	H(CC[5]C)	116.2900	0.000	1	116.2900	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5,5]O[5]H)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	C(C[5]C[5,5]O[5]H)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	118.7750	0.000	1	118.7750	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5,6,6]C[5]H)(CCH)(H)	C(CC[5]H)(CHHO)(H)	H(CC[5]C)	C(C[5]C[5,6,6]C[5]H)(CCH)(H)	C(CC[5]H)(CHHO)(H)	H(CC[5]C)	119.4290	0.100	2	119.4290	0.010	2	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	116.9530	0.569	2	116.9530	0.323	2	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5,6]C[5]O)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]O)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	117.5650	0.000	1	117.5650	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5,6]O[5]H)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	C(C[5]C[5,6]O[5]H)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	118.7190	0.000	1	118.7190	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	115.3900	0.021	2	115.3900	0.000	2	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CHHN)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CHHN)(H)	H(CC[5]C)	117.2060	0.000	1	117.2060	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CHHP)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)(CHHP)(H)	H(CC[5]C)	116.5140	0.000	1	116.5140	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCCH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCCH)(H)	H(CC[5]C)	119.2070	0.000	1	119.2070	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	118.4978	1.349	15	118.4978	1.819	15	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCHN)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCHN)(H)	H(CC[5]C)	114.9060	0.000	1	114.9060	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCHO)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCHO)(H)	H(CC[5]C)	119.3685	3.304	2	119.3685	10.918	2	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	116.9365	0.234	2	116.9365	0.055	2	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2O)(CCH)(H)	C(CC[5]H)(CCHO)(H)	H(CC[5]C)	C(C[5]C[5]2O)(CCH)(H)	C(CC[5]H)(CCHO)(H)	H(CC[5]C)	118.0170	0.000	1	118.0170	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]2Zr)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	C(C[5]C[5]2Zr)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	117.1340	0.000	1	117.1340	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C(CC[5]H)(CCCO)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C(CC[5]H)(CCCO)(H)	H(CC[5]C)	117.5410	0.000	1	117.5410	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	117.8130	1.925	2	117.8130	3.705	2	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]O[5]C)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]C)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	117.2970	0.000	1	117.2970	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[5]H)(CCHH)(H)	H(CC[5]C)	117.6350	1.875	2	117.6350	3.517	2	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[6a]C[5]2)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	C(C[5]C[6a]C[5]2)(CCH)(H)	C(CC[5]H)(CH3)(H)	H(CC[5]C)	116.6525	0.160	4	116.6525	0.025	4	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[5]C[6a]C[5]N[5])(CCH)(H)	C(CC[5]H)(CHHI)(H)	H(CC[5]C)	C(C[5]C[6a]C[5]N[5])(CCH)(H)	C(CC[5]H)(CHHI)(H)	H(CC[5]C)	116.8210	0.000	1	116.8210	0.000	1	117.7048	2.132	49	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	C-3:S-4:H-1:	C-3:	C(C[5]C[5]O[5]H)(CHS)(H)	C(CC[5]H)(SCOO)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CHS)(H)	C(CC[5]H)(SCOO)(H)	H(CC[5]C)	118.4765	7.809	2	118.4765	60.974	2	118.4765	60.974	2	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C(CC[6,6]H)(CH3)(H)	H(CC[6,6]C)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C(CC[6,6]H)(CH3)(H)	H(CC[6,6]C)	115.8880	1.187	2	115.8880	1.408	2	115.8880	1.408	2	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C-3:H-1:	C-3:Si-4:H-1:	C-3:	C(C[6,6]C[5,6,6]C[4x6]H)(CSiH)(H)	C(CC[6,6]H)(SiC3)(H)	H(CC[6,6]C)	C(C[6,6]C[5,6,6]C[4x6]H)(CSiH)(H)	C(CC[6,6]H)(SiC3)(H)	H(CC[6,6]C)	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[3,6]C[5,6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	C(C[6]C[3,6]C[5,6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	118.2062	0.152	4	118.2062	0.023	4	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCCO)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCCO)(H)	H(CC[6]C)	114.5760	0.000	1	114.5760	0.000	1	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	117.8137	0.594	6	117.8137	0.353	6	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	117.9980	0.000	1	117.9980	0.000	1	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6,6a]C[5,6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[5,6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	117.6552	0.960	8	117.6552	0.921	8	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	116.8877	0.585	3	116.8877	0.342	3	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6,6a]N[6]H)(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	C(C[6]C[6,6a]N[6]H)(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	117.4398	0.866	4	117.4398	0.751	4	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2C)(CCH)(H)	C(CC[6]H)(CCHO)(H)	H(CC[6]C)	C(C[6]C[6]2C)(CCH)(H)	C(CC[6]H)(CCHO)(H)	H(CC[6]C)	116.8480	0.000	1	116.8480	0.000	1	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2Cr)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	C(C[6]C[6]2Cr)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	116.9770	0.000	1	116.9770	0.000	1	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCCH)(H)	H(CC[6]C)	118.0850	0.000	1	118.0850	0.000	1	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	115.1908	0.532	6	115.1908	0.283	6	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCHN)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCHN)(H)	H(CC[6]C)	116.8458	0.173	4	116.8458	0.030	4	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCHO)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCHO)(H)	H(CC[6]C)	117.0790	0.000	1	117.0790	0.000	1	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	116.8413	0.516	3	116.8413	0.266	3	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]2O)(CCH)(H)	C(CC[6]H)(CCHO)(H)	H(CC[6]C)	C(C[6]C[6]2O)(CCH)(H)	C(CC[6]H)(CCHO)(H)	H(CC[6]C)	116.0830	0.178	2	116.0830	0.032	2	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]N[6]H)(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	116.7560	0.000	1	116.7560	0.000	1	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]N[6]H)(CCH)(H)	C(CC[6]H)(CHHN)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CCH)(H)	C(CC[6]H)(CHHN)(H)	H(CC[6]C)	117.0950	0.000	1	117.0950	0.000	1	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]N[6]H)(CCH)(H)	C(CC[6]H)(CHHO)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CCH)(H)	C(CC[6]H)(CHHO)(H)	H(CC[6]C)	119.5310	0.000	1	119.5310	0.000	1	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]O[6]C)(CCH)(H)	C(CC[6]H)(CCCO)(H)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CCH)(H)	C(CC[6]H)(CCCO)(H)	H(CC[6]C)	118.6420	0.000	1	118.6420	0.000	1	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	H(CC[6]C)	117.7313	0.904	4	117.7313	0.818	4	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(CCHO)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(CCHO)(H)	H(CC[6]C)	115.0500	0.000	1	115.0500	0.000	1	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(CH3)(H)	H(CC[6]C)	118.9410	1.867	3	118.9410	3.484	3	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(CHHO)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C(CC[6]H)(CHHO)(H)	H(CC[6]C)	118.3373	2.415	3	118.3373	5.832	3	117.2785	1.751	61	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:1:	3:	Ge-4:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(GeC[6a]3)(CCH)(H)	C(CGeH)(CF3)(H)	H(CGeC)	C(GeC[6a]3)(CCH)(H)	C(CGeH)(CF3)(H)	H(CGeC)	112.7430	0.957	2	112.7430	0.917	2	112.7430	0.917	2	117.2638	2.531	168	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	B-4:C-3:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(BC[6a]2C)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	H(CBC)	C(BC[6a]2C)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	H(CBC)	114.1330	0.000	1	114.1330	0.000	1	113.6468	1.460	10	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	B-4:C-3:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2C)(CBH)	H(CBC)	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2C)(CBH)	H(CBC)	115.2940	0.000	1	115.2940	0.000	1	113.6468	1.460	10	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	B-4:C-3:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2H)(CBH)	H(CBC)	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2H)(CBH)	H(CBC)	112.8850	0.000	1	112.8850	0.000	1	113.6468	1.460	10	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	B-4:C-3:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	H(CBC)	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	H(CBC)	113.6830	1.443	5	113.6830	2.083	5	113.6468	1.460	10	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	B-4:C-3:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]HH)(CBH)	H(CBC)	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]HH)(CBH)	H(CBC)	112.6840	0.000	1	112.6840	0.000	1	113.6468	1.460	10	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	B-4:C-3:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PCl2C)(CBH)	H(CBC)	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PCl2C)(CBH)	H(CBC)	113.0570	0.000	1	113.0570	0.000	1	113.6468	1.460	10	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	B-4:C-3:H-1:	C[6a]-3:Si-4:C-3:	C-3:	C(BC[6a]2N[6])(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC3)(CBH)	H(CBC)	C(BC[6a]2N[6])(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC3)(CBH)	H(CBC)	116.6460	0.000	1	116.6460	0.000	1	116.6460	0.000	1	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CBrCH)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	H(CCC)	C(CBrCH)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	H(CCC)	117.1840	0.000	1	117.1840	0.000	1	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CC3)(CCC)(H)	C(CP[4]O)(CC3)(CCH)	H(CCC)	C(CC3)(CCC)(H)	C(CP[4]O)(CC3)(CCH)	H(CCC)	113.6050	0.000	1	113.6050	0.000	1	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCCH)(CCC)(H)	C(CC[5]O)(CH3)(CCH)	H(CCC)	C(CCCH)(CCC)(H)	C(CC[5]O)(CH3)(CCH)	H(CCC)	115.4415	0.510	2	115.4415	0.260	2	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCCH)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	H(CCC)	C(CCCH)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	H(CCC)	116.6376	0.901	5	116.6376	0.812	5	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[4,5]O)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[4,5]O)(CH3)(CCH)	H(CCC)	114.9070	0.000	1	114.9070	0.000	1	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[5]O)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[5]O)(CH3)(CCH)	H(CCC)	113.8810	0.000	1	113.8810	0.000	1	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[6a]O)(CCHH)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[6a]O)(CCHH)(CCH)	H(CCC)	115.4920	0.000	1	115.4920	0.000	1	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[6a]O)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[6a]O)(CH3)(CCH)	H(CCC)	116.6090	0.847	3	116.6090	0.718	3	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[6a]O)(CHHN)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[6a]O)(CHHN)(CCH)	H(CCC)	116.1360	0.000	1	116.1360	0.000	1	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CCHS)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	H(CCC)	C(CCHS)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	H(CCC)	117.4810	0.000	1	117.4810	0.000	1	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CF3)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	H(CCC)	C(CF3)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	H(CCC)	116.9320	0.000	1	116.9320	0.000	1	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CH3)(CCC)(H)	C(CC[6a]O)(CH3)(CCH)	H(CCC)	C(CH3)(CCC)(H)	C(CC[6a]O)(CH3)(CCH)	H(CCC)	116.7940	0.000	1	116.7940	0.000	1	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(CHHO)(CCC)(H)	C(CC[5]C)(CH3)(CCH)	H(CCC)	C(CHHO)(CCC)(H)	C(CC[5]C)(CH3)(CCH)	H(CCC)	120.7140	0.000	1	120.7140	0.000	1	116.3512	2.382	20	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2)(CH3)(CCH)	H(CCC)	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2)(CH3)(CCH)	H(CCC)	113.6510	0.000	1	113.6510	0.000	1	114.3417	0.408	3	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:	C(CC[6a]HH)(CC[5]C)(H)	C(C[5]C[5]2)(CH3)(CCH)	H(CCC)	C(CC[6a]HH)(CC[5]C)(H)	C(C[5]C[5]2)(CH3)(CCH)	H(CCC)	114.6870	0.318	2	114.6870	0.101	2	114.3417	0.408	3	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C[6a]-3:B-4:C-3:	C-3:	C(CC[5]HH)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	H(CCC)	C(CC[5]HH)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	H(CCC)	117.6345	1.237	2	117.6345	1.530	2	117.6345	1.530	2	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[5a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	C(CC[5a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	H(CCC)	115.2660	0.000	1	115.2660	0.000	1	116.0680	0.315	7	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CC[6]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	C(CC[6]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	115.9853	0.425	4	115.9853	0.181	4	116.0680	0.315	7	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(CN[6]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	C(CN[6]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	H(CCC)	116.6345	0.187	2	116.6345	0.035	2	116.0680	0.315	7	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[3]-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[3]C[3]2H)(CCC)(H)	C(CC[3]H)(CCHO)(CCH)	H(CC[3]C)	C(C[3]C[3]2H)(CCC)(H)	C(CC[3]H)(CCHO)(CCH)	H(CC[3]C)	116.8820	0.000	1	116.8820	0.000	1	116.8820	0.000	1	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[3]-4:C-3:H-1:	C[6a]-3:B-4:C-3:	C-3:	C(C[3]C[3]2H)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	H(CC[3]C)	C(C[3]C[3]2H)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	H(CC[3]C)	115.6700	0.000	1	115.6700	0.000	1	115.6700	0.000	1	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[4]-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[4]C[4]2H)(CCC)(H)	C(CC[4]H)(CH3)(COO)	H(CC[4]C)	C(C[4]C[4]2H)(CCC)(H)	C(CC[4]H)(CH3)(COO)	H(CC[4]C)	115.8870	0.993	2	115.8870	0.986	2	115.8870	0.986	2	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]H)(CH3)(CCO)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]H)(CH3)(CCO)	H(CC[5]C)	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[5]-4:C-3:H-1:	N[5a]-3:C-4:C-3:	C-3:	C(C[5]C[5]2Fe)(CN[5a]C)(H)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(CC[5]H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CN[5a]C)(H)	C(N[5a]C[5a]N[5a])(CC[6a]HO)(CC[5]H)	H(CC[5]C)	114.8120	0.000	1	114.8120	0.000	1	114.8120	0.000	1	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[6,6]-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6,6]C[5,6,6]C[6,6]H)(CCC)(H)	C(CC[6,6]H)(CC[5]HH)(COO)	H(CC[6,6]C)	C(C[6,6]C[5,6,6]C[6,6]H)(CCC)(H)	C(CC[6,6]H)(CC[5]HH)(COO)	H(CC[6,6]C)	113.1510	0.000	1	113.1510	0.000	1	113.1510	0.000	1	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6]C[5,6]C[6]C)(CCC)(H)	C(CC[6]H)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6]C)(CCC)(H)	C(CC[6]H)(CH3)(CCH)	H(CC[6]C)	113.7375	0.277	4	113.7375	0.077	4	115.2897	1.889	13	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C(CC[6]H)(CH3)(COO)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C(CC[6]H)(CH3)(COO)	H(CC[6]C)	114.8700	0.000	1	114.8700	0.000	1	115.2897	1.889	13	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CCC)(H)	C(CC[6]H)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CCC)(H)	C(CC[6]H)(CH3)(CCH)	H(CC[6]C)	113.9420	0.000	1	113.9420	0.000	1	115.2897	1.889	13	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C(CC[6]H)(CCHH)(COO)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C(CC[6]H)(CCHH)(COO)	H(CC[6]C)	116.6434	0.470	5	116.6434	0.221	5	115.2897	1.889	13	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C(CC[6]H)(CHHO)(COO)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C(CC[6]H)(CHHO)(COO)	H(CC[6]C)	116.0260	0.000	1	116.0260	0.000	1	115.2897	1.889	13	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C(CC[6]H)(CSiCH)(CCH)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C(CC[6]H)(CSiCH)(CCH)	H(CC[6]C)	115.7610	0.000	1	115.7610	0.000	1	115.2897	1.889	13	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	N[6]-4:C-3:H-1:	C-3:Si-4:C-3:	C-3:	C(N[6]C[6]2Al)(CSiC)(H)	C(CN[6]H)(SiC3)(CNN)	H(CN[6]C)	C(N[6]C[6]2Al)(CSiC)(H)	C(CN[6]H)(SiC3)(CNN)	H(CN[6]C)	117.8630	0.000	1	117.8630	0.000	1	117.8630	0.000	1	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	P-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:	C(PC[6a]2C)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(CHP)	H(CCP)	C(PC[6a]2C)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(CHP)	H(CCP)	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	P-4:C-3:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(PC[6a]2Pt)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CHP)	H(CCP)	C(PC[6a]2Pt)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CHP)	H(CCP)	119.4770	0.000	1	119.4770	0.000	1	117.7615	5.886	2	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	P-4:C-3:H-1:	C[6a]-3:P-4:C-3:	C-3:	C(PC[6a]2S)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6]2S)(CHP)	H(CCP)	C(PC[6a]2S)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6]2S)(CHP)	H(CCP)	116.0460	0.000	1	116.0460	0.000	1	117.7615	5.886	2	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	P-4:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(PC[6a]2Ni)(CCN)(H)	C(NC[6a]Ni)(CH3)(CHP)	H(CCP)	C(PC[6a]2Ni)(CCN)(H)	C(NC[6a]Ni)(CH3)(CHP)	H(CCP)	126.4990	0.903	3	126.4990	0.816	3	124.2523	20.735	4	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	P-4:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(PC[6a]3)(CCN)(H)	C(NC[6a]H)(CH3)(CHP)	H(CCP)	C(PC[6a]3)(CCN)(H)	C(NC[6a]H)(CH3)(CHP)	H(CCP)	117.5120	0.000	1	117.5120	0.000	1	124.2523	20.735	4	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	S-4:C-3:H-1:	C[6a]-3:S-4:C-3:	C-3:	C(SC[6a]OO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CHS)	H(CCS)	C(SC[6a]OO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CHS)	H(CCS)	116.6810	0.585	2	116.6810	0.343	2	116.6810	0.343	2	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	S-4:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(SC[6a]OO)(CCN)(H)	C(NC[6a]S)(CCHH)(CHS)	H(CCS)	C(SC[6a]OO)(CCN)(H)	C(NC[6a]S)(CCHH)(CHS)	H(CCS)	116.0200	0.000	1	116.0200	0.000	1	116.0200	0.000	1	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	Si-4:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(SiIrCC)(CCC)(H)	C(CSiH)(CH3)(CCC)	H(CSiC)	C(SiIrCC)(CCC)(H)	C(CSiH)(CH3)(CCC)	H(CSiC)	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:3:	3:	Si-4:C-3:H-1:	C[6a]-3:Si-4:C-3:	C-3:	C(SiC[5]ClN)(CC[6a]Si)(H)	C(C[6a]C[6a]N[6a])(SiC3)(CSiH)	H(CSiC)	C(SiC[5]ClN)(CC[6a]Si)(H)	C(C[6a]C[6a]N[6a])(SiC3)(CSiH)	H(CSiC)	112.1000	0.369	2	112.1000	0.136	2	112.1000	0.136	2	116.0726	7.785	77	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[3]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[3]C[3]2C)(CCC)(H)	C(CC[3]H)(CH3)2	H(CC[3]C)	C(C[3]C[3]2C)(CCC)(H)	C(CC[3]H)(CH3)2	H(CC[3]C)	116.3670	0.000	1	116.3670	0.000	1	116.5244	0.225	10	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[3]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[3]C[3]2H)(CCC)(H)	C(CC[3]H)(CH3)2	H(CC[3]C)	C(C[3]C[3]2H)(CCC)(H)	C(CC[3]H)(CH3)2	H(CC[3]C)	116.4456	0.396	7	116.4456	0.157	7	116.5244	0.225	10	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[3]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[3]C[3]2P)(CCC)(H)	C(CC[3]H)(CHHS)(CH3)	H(CC[3]C)	C(C[3]C[3]2P)(CCC)(H)	C(CC[3]H)(CHHS)(CH3)	H(CC[3]C)	116.8790	0.877	2	116.8790	0.769	2	116.5244	0.225	10	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[4]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[4]C[4,6]C[4]H)(CCC)(H)	C(CC[4]H)(CH3)2	H(CC[4]C)	C(C[4]C[4,6]C[4]H)(CCC)(H)	C(CC[4]H)(CH3)2	H(CC[4]C)	115.9610	0.000	1	115.9610	0.000	1	116.0105	0.005	2	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[4]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[4]C[4]2H)(CCC)(H)	C(CC[4]H)(CH3)2	H(CC[4]C)	C(C[4]C[4]2H)(CCC)(H)	C(CC[4]H)(CH3)2	H(CC[4]C)	116.0600	0.000	1	116.0600	0.000	1	116.0105	0.005	2	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5,5,6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCC)(H)	C(CC[5,5,6]H)(CCCH)(CCHH)	H(CC[5,5,6]C)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(CCC)(H)	C(CC[5,5,6]H)(CCCH)(CCHH)	H(CC[5,5,6]C)	115.5650	0.000	1	115.5650	0.000	1	115.5650	0.000	1	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5,6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5,6]C[5,5,6]C[5,6]H)(CCC)(H)	C(CC[5,6]H)(CCCH)(CCHH)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6]H)(CCC)(H)	C(CC[5,6]H)(CCCH)(CCHH)	H(CC[5,6]C)	117.0805	0.786	2	117.0805	0.617	2	117.0805	0.617	2	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5,5,6]C[5]H)(CCC)(H)	C(CC[5]H)(CCCH)(CH3)	H(CC[5]C)	C(C[5]C[5,5,6]C[5]H)(CCC)(H)	C(CC[5]H)(CCCH)(CH3)	H(CC[5]C)	116.0620	0.000	1	116.0620	0.000	1	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5,5]N[5]H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	C(C[5]C[5,5]N[5]H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	117.5440	0.000	1	117.5440	0.000	1	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5,6,6]O[5]H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	C(C[5]C[5,6,6]O[5]H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	118.0047	0.932	3	118.0047	0.868	3	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5,6]C[5]C)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	C(C[5]C[5,6]C[5]C)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	114.9300	0.000	1	114.9300	0.000	1	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]2H)(CCC)(H)	C(CC[5]H)(CCHH)(CH3)	H(CC[5]C)	C(C[5]C[5]2H)(CCC)(H)	C(CC[5]H)(CCHH)(CH3)	H(CC[5]C)	116.1655	1.350	2	116.1655	1.822	2	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]2H)(CCC)(H)	C(CC[5]H)(CCHO)(CH3)	H(CC[5]C)	C(C[5]C[5]2H)(CCC)(H)	C(CC[5]H)(CCHO)(CH3)	H(CC[5]C)	116.4835	0.621	11	116.4835	0.385	11	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]2H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	C(C[5]C[5]2H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	115.9705	0.303	2	115.9705	0.092	2	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]2Mn)(CCC)(H)	C(CC[5]H)(CHHP)(CH3)	H(CC[5]C)	C(C[5]C[5]2Mn)(CCC)(H)	C(CC[5]H)(CHHP)(CH3)	H(CC[5]C)	116.7054	0.450	5	116.7054	0.203	5	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]N[5]H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	118.8380	0.000	1	118.8380	0.000	1	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]N[5]H)(CCC)(H)	C(CC[5]H)(CHHO)(CH3)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCC)(H)	C(CC[5]H)(CHHO)(CH3)	H(CC[5]C)	116.1420	0.000	1	116.1420	0.000	1	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]H)(CCHH)(CH3)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]H)(CCHH)(CH3)	H(CC[5]C)	116.9867	2.068	3	116.9867	4.278	3	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]H)(CCHO)(CH3)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]H)(CCHO)(CH3)	H(CC[5]C)	115.7685	0.681	2	115.7685	0.464	2	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	116.4250	0.618	3	116.4250	0.382	3	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]H)(CHHO)(CH3)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]H)(CHHO)(CH3)	H(CC[5]C)	116.8810	0.000	1	116.8810	0.000	1	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]N[5,6]C[5]H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	C(C[5]N[5,6]C[5]H)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	116.8173	0.191	3	116.8173	0.036	3	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]N[5]S[5]C)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	C(C[5]N[5]S[5]C)(CCC)(H)	C(CC[5]H)(CH3)2	H(CC[5]C)	117.3390	0.000	1	117.3390	0.000	1	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[5]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[5]Si[5]C[5]H)(CCC)(H)	C(CC[5]H)(CCHH)(CH3)	H(CC[5]C)	C(C[5]Si[5]C[5]H)(CCC)(H)	C(CC[5]H)(CCHH)(CH3)	H(CC[5]C)	118.6668	0.650	5	118.6668	0.423	5	116.8788	1.263	46	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6,6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6,6]C[3x6]2H)(CCC)(H)	C(CC[6,6]H)(CH3)2	H(CC[6,6]C)	C(C[6,6]C[3x6]2H)(CCC)(H)	C(CC[6,6]H)(CH3)2	H(CC[6,6]C)	116.3650	0.000	1	116.3650	0.000	1	116.3650	0.000	1	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[3x6]O[6]H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	C(C[6]C[3x6]O[6]H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	116.4660	0.578	4	116.4660	0.334	4	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[5,6]C[6]H)(CCC)(H)	C(CC[6]H)(CCHH)(CH3)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCC)(H)	C(CC[6]H)(CCHH)(CH3)	H(CC[6]C)	117.2409	0.461	8	117.2409	0.212	8	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[5a,6]2H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	C(C[6]C[5a,6]2H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	115.3470	0.288	2	115.3470	0.083	2	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	115.9175	0.252	2	115.9175	0.064	2	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6,6]C[6]H)(CCC)(H)	C(CC[6]H)(CCHO)(CH3)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCC)(H)	C(CC[6]H)(CCHO)(CH3)	H(CC[6]C)	117.8240	0.000	1	117.8240	0.000	1	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6,6a]2H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	C(C[6]C[6,6a]2H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	116.0930	0.334	2	116.0930	0.111	2	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	116.3413	0.611	3	116.3413	0.373	3	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C(CC[6]H)(CHHO)(CH3)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C(CC[6]H)(CHHO)(CH3)	H(CC[6]C)	116.3915	0.405	2	116.3915	0.164	2	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6,6a]N[5a,6]C[6a])(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	C(C[6]C[6,6a]N[5a,6]C[6a])(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	116.3200	0.000	1	116.3200	0.000	1	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6]2C)(CCC)(H)	C(CC[6]H)(CHHO)(CH3)	H(CC[6]C)	C(C[6]C[6]2C)(CCC)(H)	C(CC[6]H)(CHHO)(CH3)	H(CC[6]C)	113.2850	0.000	1	113.2850	0.000	1	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6]2Cr)(CCC)(H)	C(CC[6]H)(CHHP)(CH3)	H(CC[6]C)	C(C[6]C[6]2Cr)(CCC)(H)	C(CC[6]H)(CHHP)(CH3)	H(CC[6]C)	116.0700	0.000	1	116.0700	0.000	1	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	116.4530	0.000	1	116.4530	0.000	1	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6]N[6]H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	C(C[6]C[6]N[6]H)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	117.7260	0.232	2	117.7260	0.054	2	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6]O[6]C)(CCC)(H)	C(CC[6]H)(CCHH)(CH3)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CCC)(H)	C(CC[6]H)(CCHH)(CH3)	H(CC[6]C)	115.9030	0.000	1	115.9030	0.000	1	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6]O[6]H)(CCC)(H)	C(CC[6]H)(CCHH)(CH3)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCC)(H)	C(CC[6]H)(CCHH)(CH3)	H(CC[6]C)	116.6295	0.247	2	116.6295	0.061	2	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(C[6]C[6a]N[6]2)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	C(C[6]C[6a]N[6]2)(CCC)(H)	C(CC[6]H)(CH3)2	H(CC[6]C)	115.7460	0.000	1	115.7460	0.000	1	116.4890	0.855	34	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	3:4:4:	3:	Si-4:C-3:H-1:	C-3:C-4:C-4:	C-3:	C(SiIrCC)(CCC)(H)	C(CSiH)(CH3)2	H(CSiC)	C(SiIrCC)(CCC)(H)	C(CSiH)(CH3)2	H(CSiC)	114.2630	0.000	1	114.2630	0.000	1	114.2630	0.000	1	116.6461	1.034	97	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:2:3:	3:	C-4:C-3:H-1:	B-4:S-2:C-3:	C-3:	C(CC3)(CBS)(H)	C(BC[6a]2N)(SC[6a])(CCH)	H(CCC)	C(CC3)(CBS)(H)	C(BC[6a]2N)(SC[6a])(CCH)	H(CCC)	113.8740	0.000	1	113.8740	0.000	1	112.8700	2.016	2	114.1927	6.256	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:2:3:	3:	C-4:C-3:H-1:	B-4:S-2:C-3:	C-3:	C(CC3)(CBS)(H)	C(BC[6a]2N[6])(SC[6a])(CCH)	H(CCC)	C(CC3)(CBS)(H)	C(BC[6a]2N[6])(SC[6a])(CCH)	H(CCC)	111.8660	0.000	1	111.8660	0.000	1	112.8700	2.016	2	114.1927	6.256	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:2:3:	3:	S-4:C-3:H-1:	C[3]-4:Se-2:C-3:	C-3:	C(SC[6a]OO)(CC[3]Se)(H)	C(C[3]C[3]2H)(SeC[6a])(CHS)	H(CCS)	C(SC[6a]OO)(CC[3]Se)(H)	C(C[3]C[3]2H)(SeC[6a])(CHS)	H(CCS)	116.8380	0.000	1	116.8380	0.000	1	116.8380	0.000	1	114.1927	6.256	3	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	B-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(BC[6a]2C[5])(CCH)(H)	C(CC3)(CBH)(H)	H(CBC)	C(BC[6a]2C[5])(CCH)(H)	C(CC3)(CBH)(H)	H(CBC)	116.6400	0.000	1	116.6400	0.000	1	116.4310	0.042	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	B-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(BC[6a]N[6]C)(CCH)(H)	C(CC3)(CBH)(H)	H(CBC)	C(BC[6a]N[6]C)(CCH)(H)	C(CC3)(CBH)(H)	H(CBC)	116.2280	0.000	1	116.2280	0.000	1	116.4310	0.042	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	B-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(BC[6a]N[6]C)(CCH)(H)	C(CCHH)(CBH)(H)	H(CBC)	C(BC[6a]N[6]C)(CCH)(H)	C(CCHH)(CBH)(H)	H(CBC)	116.4250	0.000	1	116.4250	0.000	1	116.4310	0.042	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	B-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(BC[6a]2O)(CHP)(H)	C(PC[6a]2H)(CBH)(H)	H(CBC)	C(BC[6a]2O)(CHP)(H)	C(PC[6a]2H)(CBH)(H)	H(CBC)	115.9850	0.000	1	115.9850	0.000	1	118.5190	12.842	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	B-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(BC[6a]3)(CHP)(H)	C(PC3)(CBH)(H)	H(CBC)	C(BC[6a]3)(CHP)(H)	C(PC3)(CBH)(H)	H(CBC)	121.0530	0.000	1	121.0530	0.000	1	118.5190	12.842	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	B-4:C-3:H-1:	C-3:	C(CC3)(CBH)(H)	C(BC[6a]2C[5])(CCH)(H)	H(CCC)	C(CC3)(CBH)(H)	C(BC[6a]2C[5])(CCH)(H)	H(CCC)	116.1650	0.000	1	116.1650	0.000	1	116.0870	0.549	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	B-4:C-3:H-1:	C-3:	C(CC3)(CBH)(H)	C(BC[6a]N[6]C)(CCH)(H)	H(CCC)	C(CC3)(CBH)(H)	C(BC[6a]N[6]C)(CCH)(H)	H(CCC)	115.3100	0.000	1	115.3100	0.000	1	116.0870	0.549	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	B-4:C-3:H-1:	C-3:	C(CCHH)(CBH)(H)	C(BC[6a]N[6]C)(CCH)(H)	H(CCC)	C(CCHH)(CBH)(H)	C(BC[6a]N[6]C)(CCH)(H)	H(CCC)	116.7860	0.000	1	116.7860	0.000	1	116.0870	0.549	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:Br-1:	C-3:	C(CBrHH)(CBrC)(H)	C(CC[6a]HO)(CCH)(Br)	H(CCC)	C(CBrHH)(CBrC)(H)	C(CC[6a]HO)(CCH)(Br)	H(CCC)	117.2320	0.000	1	117.2320	0.000	1	116.5600	3.994	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:Br-1:	C-3:	C(CCHH)(CBrC)(H)	C(CCHH)(CCH)(Br)	H(CCC)	C(CCHH)(CBrC)(H)	C(CCHH)(CCH)(Br)	H(CCC)	116.2240	2.704	2	116.2240	7.311	2	116.5600	3.994	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:C-1:	C-3:	C(CHHN)(CCC)(H)	C(CCHH)(CCH)(C)	H(CCC)	C(CHHN)(CCC)(H)	C(CCHH)(CCH)(C)	H(CCC)	116.7390	0.000	1	116.7390	0.000	1	116.7390	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(CCCH)(CClC)(H)	C(CC[6a]HO)(CCH)(Cl)	H(CCC)	C(CCCH)(CClC)(H)	C(CC[6a]HO)(CCH)(Cl)	H(CCC)	117.0130	0.000	1	117.0130	0.000	1	116.3593	0.352	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(CCHH)(CClC)(H)	C(CCFF)(CCH)(Cl)	H(CCC)	C(CCHH)(CClC)(H)	C(CCFF)(CCH)(Cl)	H(CCC)	116.2090	0.000	1	116.2090	0.000	1	116.3593	0.352	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:Cl-1:	C-3:	C(CCHH)(CClC)(H)	C(CC[6]FF)(CCH)(Cl)	H(CCC)	C(CCHH)(CClC)(H)	C(CC[6]FF)(CCH)(Cl)	H(CCC)	115.8560	0.000	1	115.8560	0.000	1	116.3593	0.352	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:F-1:	C-3:	C(CCCH)(CCF)(H)	C(CHHN)(CCH)(F)	H(CCC)	C(CCCH)(CCF)(H)	C(CHHN)(CCH)(F)	H(CCC)	116.5850	0.000	1	116.5850	0.000	1	116.4059	2.816	7	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:F-1:	C-3:	C(CCHH)(CCF)(H)	C(CCFF)(CCH)(F)	H(CCC)	C(CCHH)(CCF)(H)	C(CCFF)(CCH)(F)	H(CCC)	117.3657	0.123	3	117.3657	0.015	3	116.4059	2.816	7	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:F-1:	C-3:	C(CCHH)(CCF)(H)	C(CC[6]FF)(CCH)(F)	H(CCC)	C(CCHH)(CCF)(H)	C(CC[6]FF)(CCH)(F)	H(CCC)	116.5420	0.000	1	116.5420	0.000	1	116.4059	2.816	7	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:F-1:	C-3:	C(CH3)(CCF)(H)	C(CCCH)(CCH)(F)	H(CCC)	C(CH3)(CCF)(H)	C(CCCH)(CCH)(F)	H(CCC)	116.9240	0.000	1	116.9240	0.000	1	116.4059	2.816	7	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:F-1:	C-3:	C(CIrHH)(CCF)(H)	C(CCFF)(CCH)(F)	H(CCC)	C(CIrHH)(CCF)(H)	C(CCFF)(CCH)(F)	H(CCC)	112.6930	0.000	1	112.6930	0.000	1	116.4059	2.816	7	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CAuCH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CAuCH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	116.6510	0.000	1	116.6510	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CBHH)(CCH)(H)	C(CBHH)(CCH)(H)	H(CCC)	C(CBHH)(CCH)(H)	C(CBHH)(CCH)(H)	H(CCC)	116.8500	0.000	1	116.8500	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CBrHH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CBrHH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	118.7780	0.000	1	118.7780	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CBrHH)(CCH)(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	C(CBrHH)(CCH)(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	118.9910	0.000	1	118.9910	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC3)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	C(CC3)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	117.3392	1.126	4	117.3392	1.267	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC3)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CC3)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	116.4963	0.540	21	116.4963	0.291	21	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC3)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC3)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.5330	0.000	1	117.5330	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC3)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CC3)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	116.3600	0.257	3	116.3600	0.066	3	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC3)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	C(CC3)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	116.1550	0.248	3	116.1550	0.061	3	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC3)(CCH)(H)	C(CC[6a]CC)(CCH)(H)	H(CCC)	C(CC3)(CCH)(H)	C(CC[6a]CC)(CCH)(H)	H(CCC)	115.9360	0.000	1	115.9360	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC3)(CCH)(H)	C(CCo2C)(CCH)(H)	H(CCC)	C(CC3)(CCH)(H)	C(CCo2C)(CCH)(H)	H(CCC)	116.6650	0.000	1	116.6650	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC3)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC3)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	116.1140	0.068	2	116.1140	0.005	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	118.0997	0.940	21	118.0997	0.883	21	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	115.9562	1.513	8	115.9562	2.290	8	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	118.0686	2.847	13	118.0686	8.105	13	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CCHN)(CCH)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CCHN)(CCH)(H)	H(CCC)	114.5190	0.000	1	114.5190	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	116.3323	1.464	6	116.3323	2.142	6	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	116.5353	0.966	31	116.5353	0.934	31	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CC[6]CH)(CCH)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CC[6]CH)(CCH)(H)	H(CCC)	117.0685	0.225	4	117.0685	0.051	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCCH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	116.7980	0.580	3	116.7980	0.336	3	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCN)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCCN)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	115.1470	0.000	1	115.1470	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCO)(CCH)(H)	C(CC[5,6]HO)(CCH)(H)	H(CCC)	C(CCCO)(CCH)(H)	C(CC[5,6]HO)(CCH)(H)	H(CCC)	117.3895	0.613	2	117.3895	0.376	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCO)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CCCO)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	116.4140	0.000	1	116.4140	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCCO)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	C(CCCO)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	116.1280	0.000	1	116.1280	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCFH)(CCH)(H)	C(CCFH)(CCH)(H)	H(CCC)	C(CCFH)(CCH)(H)	C(CCFH)(CCH)(H)	H(CCC)	118.2475	0.732	2	118.2475	0.536	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	118.2720	0.000	1	118.2720	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	118.5052	2.304	13	118.5052	5.307	13	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCCN)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCCN)(CCH)(H)	H(CCC)	115.2670	0.000	1	115.2670	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.0218	3.490	190	117.0218	12.180	190	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCHN)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCHN)(CCH)(H)	H(CCC)	117.1463	0.912	9	117.1463	0.831	9	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	117.9001	1.560	37	117.9001	2.435	37	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CCHS)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CCHS)(CCH)(H)	H(CCC)	117.9350	0.214	2	117.9350	0.046	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[3]HO)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[3]HO)(CCH)(H)	H(CCC)	117.6980	0.000	1	117.6980	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[3x6]HH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[3x6]HH)(CCH)(H)	H(CCC)	118.4412	0.398	5	118.4412	0.158	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[4]HO)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[4]HO)(CCH)(H)	H(CCC)	116.9320	0.000	1	116.9320	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	115.8462	3.591	4	115.8462	12.892	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	117.4712	1.474	26	117.4712	2.173	26	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	118.0037	0.979	4	118.0037	0.958	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[5a]HH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[5a]HH)(CCH)(H)	H(CCC)	118.0490	0.000	1	118.0490	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	113.0520	8.453	3	113.0520	71.446	3	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[6]HO)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[6]HO)(CCH)(H)	H(CCC)	120.1650	0.000	1	120.1650	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	116.6860	1.551	4	116.6860	2.405	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[6a]C[5]H)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[6a]C[5]H)(CCH)(H)	H(CCC)	117.1745	0.380	2	117.1745	0.144	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	116.8596	0.427	8	116.8596	0.182	8	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CGeCH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CGeCH)(CCH)(H)	H(CCC)	117.3960	0.000	1	117.3960	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	116.7853	2.707	12	116.7853	7.330	12	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	116.4597	0.613	12	116.4597	0.376	12	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	117.3706	0.980	11	117.3706	0.960	11	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CHHS)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CHHS)(CCH)(H)	H(CCC)	118.4555	1.992	2	118.4555	3.968	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CPtCH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CPtCH)(CCH)(H)	H(CCC)	114.9040	0.000	1	114.9040	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHH)(CCH)(H)	C(CRuCH)(CCH)(H)	H(CCC)	C(CCHH)(CCH)(H)	C(CRuCH)(CCH)(H)	H(CCC)	117.1577	0.271	8	117.1577	0.073	8	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHN)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CCHN)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	114.9880	0.000	1	114.9880	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHN)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCHN)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.6691	1.705	9	117.6691	2.908	9	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHN)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CCHN)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	119.5810	0.000	1	119.5810	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHN)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CCHN)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	117.3800	0.000	1	117.3800	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHN)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCHN)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	119.1008	1.975	5	119.1008	3.902	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	118.2393	0.219	3	118.2393	0.048	3	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	117.1700	0.845	6	117.1700	0.714	6	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	118.2449	2.352	36	118.2449	5.530	36	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CCHN)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CCHN)(CCH)(H)	H(CCC)	119.0230	0.000	1	119.0230	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	117.8548	1.836	13	117.8548	3.370	13	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CC[5]CO)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CC[5]CO)(CCH)(H)	H(CCC)	114.9680	0.752	2	114.9680	0.566	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CC[6a]HO)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CC[6a]HO)(CCH)(H)	H(CCC)	117.9660	0.000	1	117.9660	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	117.5720	0.283	4	117.5720	0.080	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	120.0740	0.000	1	120.0740	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHO)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	C(CCHO)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	117.6380	0.000	1	117.6380	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCHS)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CCHS)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	119.2390	0.270	2	119.2390	0.073	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[3]CH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC[3]CH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	116.0300	0.000	1	116.0300	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[3]HO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[3]HO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	116.7560	0.000	1	116.7560	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[3]HO)(CCH)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	C(CC[3]HO)(CCH)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	117.3730	0.000	1	117.3730	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[3x6]HH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[3x6]HH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	118.8764	0.374	5	118.8764	0.140	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[4]HH)(CCH)(H)	C(CSi[4]HH)(CCH)(H)	H(CCC)	C(CC[4]HH)(CCH)(H)	C(CSi[4]HH)(CCH)(H)	H(CCC)	111.9210	0.000	1	111.9210	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[4]HO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[4]HO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	118.0360	0.000	1	118.0360	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5,6]HH)(CCH)(H)	C(CC[5,6]HH)(CCH)(H)	H(CCC)	C(CC[5,6]HH)(CCH)(H)	C(CC[5,6]HH)(CCH)(H)	H(CCC)	118.0680	0.000	1	118.0680	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5,6]HH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC[5,6]HH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	119.0720	0.827	2	119.0720	0.684	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5,6]HO)(CCH)(H)	C(CCCO)(CCH)(H)	H(CCC)	C(CC[5,6]HO)(CCH)(H)	C(CCCO)(CCH)(H)	H(CCC)	116.9170	0.330	2	116.9170	0.109	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]CH)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CC[5]CH)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	116.5426	1.217	31	116.5426	1.481	31	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]CH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[5]CH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	119.2933	1.586	4	119.2933	2.516	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]CH)(CCH)(H)	C(CC[3]HO)(CCH)(H)	H(CCC)	C(CC[5]CH)(CCH)(H)	C(CC[3]HO)(CCH)(H)	H(CCC)	116.5630	0.000	1	116.5630	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]CH)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CC[5]CH)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	113.8310	0.659	2	113.8310	0.434	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]CO)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CC[5]CO)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	113.2900	1.302	2	113.2900	1.696	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CCCO)(CCH)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CCCO)(CCH)(H)	H(CCC)	117.7040	0.000	1	117.7040	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.7158	1.884	26	117.7158	3.548	26	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CCHN)(CCH)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CCHN)(CCH)(H)	H(CCC)	117.2610	0.000	1	117.2610	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CC[5]CH)(CCH)(H)	H(CCC)	114.6605	5.171	2	114.6605	26.740	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	117.1332	1.332	16	117.1332	1.774	16	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CC[5a]CH)(CCH)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CC[5a]CH)(CCH)(H)	H(CCC)	117.0210	0.000	1	117.0210	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	120.4210	0.000	1	120.4210	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CC[6]HO)(CCH)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CC[6]HO)(CCH)(H)	H(CCC)	118.0930	0.000	1	118.0930	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	116.8757	2.723	3	116.8757	7.414	3	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CC[5]HH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	117.4160	0.000	1	117.4160	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[5]HO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	118.0765	0.917	4	118.0765	0.841	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HO)(CCH)(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	C(CC[5]HO)(CCH)(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	114.4010	0.033	2	114.4010	0.001	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5]HO)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC[5]HO)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	117.7905	0.398	2	117.7905	0.158	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5a]CH)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CC[5a]CH)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	116.6250	0.000	1	116.6250	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5a]HH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[5a]HH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.3260	0.000	1	117.3260	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5a]HH)(CCH)(H)	C(CC[6a]C[5]H)(CCH)(H)	H(CCC)	C(CC[5a]HH)(CCH)(H)	C(CC[6a]C[5]H)(CCH)(H)	H(CCC)	117.9060	0.106	2	117.9060	0.011	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5a]HH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC[5a]HH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	119.1810	0.000	1	119.1810	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[5x3,5x5,20x6]HH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CC[5x3,5x5,20x6]HH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	120.4580	0.000	1	120.4580	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]CH)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CC[6]CH)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	117.3817	0.554	4	117.3817	0.307	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]CH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC[6]CH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	118.1680	0.690	2	118.1680	0.476	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]HH)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	C(CC[6]HH)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	118.1320	0.719	3	118.1320	0.517	3	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]HH)(CCH)(H)	C(CCCO)(CCH)(H)	H(CCC)	C(CC[6]HH)(CCH)(H)	C(CCCO)(CCH)(H)	H(CCC)	117.8350	0.000	1	117.8350	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]HH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[6]HH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	112.6190	8.099	3	112.6190	65.598	3	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]HH)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CC[6]HH)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	115.6160	0.000	1	115.6160	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]HH)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	C(CC[6]HH)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	115.3052	1.337	6	115.3052	1.787	6	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]HH)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	C(CC[6]HH)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	116.1910	0.000	1	116.1910	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]HN)(CCH)(H)	C(CC[6]HN)(CCH)(H)	H(CCC)	C(CC[6]HN)(CCH)(H)	C(CC[6]HN)(CCH)(H)	H(CCC)	117.3555	0.063	2	117.3555	0.004	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]HO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[6]HO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	119.8040	0.000	1	119.8040	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6]HO)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CC[6]HO)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	118.3410	0.000	1	118.3410	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]CC)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	C(CC[6a]CC)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	116.4930	0.000	1	116.4930	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]CC)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC[6a]CC)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	115.2990	0.058	2	115.2990	0.003	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]CH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[6a]CH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	116.6610	1.940	4	116.6610	3.765	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]CH)(CCH)(H)	C(CF3)(CCH)(H)	H(CCC)	C(CC[6a]CH)(CCH)(H)	C(CF3)(CCH)(H)	H(CCC)	117.5910	0.000	1	117.5910	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]CH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CC[6a]CH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	119.5540	0.000	1	119.5540	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]C[5]H)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[6a]C[5]H)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.7745	0.610	2	117.7745	0.372	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]C[5]H)(CCH)(H)	C(CC[5a]HH)(CCH)(H)	H(CCC)	C(CC[6a]C[5]H)(CCH)(H)	C(CC[5a]HH)(CCH)(H)	H(CCC)	118.3625	0.282	2	118.3625	0.080	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]HH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CC[6a]HH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.6886	0.395	8	117.6886	0.156	8	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]HH)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	C(CC[6a]HH)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	117.0839	1.128	12	117.0839	1.273	12	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]HH)(CCH)(H)	C(CC[6a]HN)(CCH)(H)	H(CCC)	C(CC[6a]HH)(CCH)(H)	C(CC[6a]HN)(CCH)(H)	H(CCC)	115.3500	0.000	1	115.3500	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]HH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CC[6a]HH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	116.9285	0.725	4	116.9285	0.525	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]HH)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	C(CC[6a]HH)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	117.8310	0.000	1	117.8310	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]HN)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	C(CC[6a]HN)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	114.9730	0.000	1	114.9730	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]HO)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CC[6a]HO)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	117.2680	0.000	1	117.2680	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CC[6a]HP)(CCH)(H)	C(CHHS)(CCH)(H)	H(CCC)	C(CC[6a]HP)(CCH)(H)	C(CHHS)(CCH)(H)	H(CCC)	118.3550	0.000	1	118.3550	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CClHH)(CCH)(H)	C(CClHH)(CCH)(H)	H(CCC)	C(CClHH)(CCH)(H)	C(CClHH)(CCH)(H)	H(CCC)	106.7767	0.413	3	106.7767	0.171	3	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CClHH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CClHH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	116.6570	0.000	1	116.6570	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCo2C)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	C(CCo2C)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	119.0610	0.000	1	119.0610	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCoCH)(CCH)(H)	C(CCoCH)(CCH)(H)	H(CCC)	C(CCoCH)(CCH)(H)	C(CCoCH)(CCH)(H)	H(CCC)	122.6718	1.283	4	122.6718	1.646	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCoCH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CCoCH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	117.8870	0.000	1	117.8870	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CCoHP)(CCH)(H)	C(CHHP)(CCH)(H)	H(CCC)	C(CCoHP)(CCH)(H)	C(CHHP)(CCH)(H)	H(CCC)	114.8290	0.000	1	114.8290	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CF3)(CCH)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	C(CF3)(CCH)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	119.1070	0.000	1	119.1070	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CGeCH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CGeCH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	119.0320	0.000	1	119.0320	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CAuCH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CAuCH)(CCH)(H)	H(CCC)	117.0460	0.000	1	117.0460	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC3)(CCH)(H)	H(CCC)	117.7030	0.016	2	117.7030	0.000	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCCH)(CCH)(H)	H(CCC)	117.8773	1.959	3	117.8773	3.839	3	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.8053	2.614	12	117.8053	6.835	12	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCHN)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCHN)(CCH)(H)	H(CCC)	117.7292	1.600	5	117.7292	2.560	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	117.3770	0.324	4	117.3770	0.105	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC[3]CH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC[3]CH)(CCH)(H)	H(CCC)	116.4840	0.000	1	116.4840	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC[5,6]HH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC[5,6]HH)(CCH)(H)	H(CCC)	117.3415	0.986	2	117.3415	0.973	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	113.6267	2.790	3	113.6267	7.786	3	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC[5]HO)(CCH)(H)	H(CCC)	117.3015	0.142	2	117.3015	0.020	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC[5a]HH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC[5a]HH)(CCH)(H)	H(CCC)	121.1740	0.000	1	121.1740	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC[6]CH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC[6]CH)(CCH)(H)	H(CCC)	117.7780	0.871	2	117.7780	0.759	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC[6a]CC)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC[6a]CC)(CCH)(H)	H(CCC)	117.0325	0.383	2	117.0325	0.146	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CC[6a]CH)(CCH)(H)	H(CCC)	117.8370	0.000	1	117.8370	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CCoCH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CCoCH)(CCH)(H)	H(CCC)	117.6050	0.000	1	117.6050	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	113.4766	9.271	5	113.4766	85.956	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	118.8878	5.338	5	118.8878	28.493	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CHoOO)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CHoOO)(CCH)(H)	H(CCC)	116.8628	0.209	6	116.8628	0.044	6	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	117.2165	0.780	4	117.2165	0.609	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CN[6]HH)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CN[6]HH)(CCH)(H)	H(CCC)	116.9340	0.000	1	116.9340	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CSnHN)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CSnHN)(CCH)(H)	H(CCC)	114.8540	0.000	1	114.8540	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CBrHH)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CBrHH)(CCH)(H)	H(CCC)	118.0530	0.000	1	118.0530	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.0000	0.853	12	117.0000	0.728	12	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	117.9380	0.000	1	117.9380	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CC[5]HH)(CCH)(H)	H(CCC)	117.6920	0.000	1	117.6920	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CC[5x3,5x5,20x6]HH)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CC[5x3,5x5,20x6]HH)(CCH)(H)	H(CCC)	115.1600	0.000	1	115.1600	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	116.3768	1.290	4	116.3768	1.665	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CClHH)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CClHH)(CCH)(H)	H(CCC)	116.5250	0.000	1	116.5250	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	117.8450	4.168	5	117.8450	17.376	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	117.3025	0.806	4	117.3025	0.650	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	117.2300	0.410	2	117.2300	0.168	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CHOP)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CHOP)(CCH)(H)	H(CCC)	117.2260	0.000	1	117.2260	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(CN[6a]HH)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(CN[6a]HH)(CCH)(H)	H(CCC)	117.1010	0.656	9	117.1010	0.430	9	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHN)(CCH)(H)	C(COsCC)(CCH)(H)	H(CCC)	C(CHHN)(CCH)(H)	C(COsCC)(CCH)(H)	H(CCC)	117.4660	0.317	2	117.4660	0.100	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CHHO)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.6178	0.607	11	117.6178	0.369	11	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHO)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	C(CHHO)(CCH)(H)	C(CCHO)(CCH)(H)	H(CCC)	116.3960	0.000	1	116.3960	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHO)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	C(CHHO)(CCH)(H)	C(CC[6]HH)(CCH)(H)	H(CCC)	116.9310	0.000	1	116.9310	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHO)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	C(CHHO)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	H(CCC)	117.8400	0.000	1	117.8400	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHO)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CHHO)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	118.0908	3.153	5	118.0908	9.944	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHO)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CHHO)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	116.8995	0.155	2	116.8995	0.024	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHO)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	C(CHHO)(CCH)(H)	C(CHHO)(CCH)(H)	H(CCC)	117.6599	1.708	70	117.6599	2.918	70	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHP)(CCH)(H)	C(CCoHP)(CCH)(H)	H(CCC)	C(CHHP)(CCH)(H)	C(CCoHP)(CCH)(H)	H(CCC)	116.9460	0.000	1	116.9460	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHS)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CHHS)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	118.7640	0.185	2	118.7640	0.034	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHS)(CCH)(H)	C(CC[6a]HP)(CCH)(H)	H(CCC)	C(CHHS)(CCH)(H)	C(CC[6a]HP)(CCH)(H)	H(CCC)	119.3000	0.000	1	119.3000	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHHS)(CCH)(H)	C(CHHS)(CCH)(H)	H(CCC)	C(CHHS)(CCH)(H)	C(CHHS)(CCH)(H)	H(CCC)	117.5751	0.677	7	117.5751	0.458	7	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHOP)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CHOP)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	118.2770	0.000	1	118.2770	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHoOO)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CHoOO)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	118.1405	0.383	6	118.1405	0.147	6	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CIrCH)(CCH)(H)	C(CIrCH)(CCH)(H)	H(CCC)	C(CIrCH)(CCH)(H)	C(CIrCH)(CCH)(H)	H(CCC)	122.1703	1.074	4	122.1703	1.153	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CMnOO)(CCH)(H)	C(CMnOO)(CCH)(H)	H(CCC)	C(CMnOO)(CCH)(H)	C(CMnOO)(CCH)(H)	H(CCC)	117.8580	0.000	1	117.8580	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[5]HH)(CCH)(H)	C(CBrHH)(CCH)(H)	H(CCC)	C(CN[5]HH)(CCH)(H)	C(CBrHH)(CCH)(H)	H(CCC)	118.9360	0.000	1	118.9360	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[5]HH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CN[5]HH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	118.4518	1.134	4	118.4518	1.287	4	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[5]HH)(CCH)(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	C(CN[5]HH)(CCH)(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	118.1766	1.124	5	118.1766	1.264	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[5]HH)(CCH)(H)	C(CN[6a]HH)(CCH)(H)	H(CCC)	C(CN[5]HH)(CCH)(H)	C(CN[6a]HH)(CCH)(H)	H(CCC)	117.6058	1.258	5	117.6058	1.583	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[5a]HH)(CCH)(H)	C(CN[5a]HH)(CCH)(H)	H(CCC)	C(CN[5a]HH)(CCH)(H)	C(CN[5a]HH)(CCH)(H)	H(CCC)	117.5060	0.209	2	117.5060	0.044	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[6]HH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CN[6]HH)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	116.3820	0.000	1	116.3820	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[6]HH)(CCH)(H)	C(CN[6]HH)(CCH)(H)	H(CCC)	C(CN[6]HH)(CCH)(H)	C(CN[6]HH)(CCH)(H)	H(CCC)	121.3950	0.000	1	121.3950	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[6a]HH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(CN[6a]HH)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	117.1186	0.716	9	117.1186	0.513	9	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CN[6a]HH)(CCH)(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	C(CN[6a]HH)(CCH)(H)	C(CN[5]HH)(CCH)(H)	H(CCC)	117.2592	0.868	5	117.2592	0.753	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(COsCC)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	C(COsCC)(CCH)(H)	C(CHHN)(CCH)(H)	H(CCC)	114.8350	0.416	2	114.8350	0.173	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(COsCH)(CCH)(H)	C(COsCH)(CCH)(H)	H(CCC)	C(COsCH)(CCH)(H)	C(COsCH)(CCH)(H)	H(CCC)	120.5245	3.145	2	120.5245	9.888	2	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CPdCH)(CCH)(H)	C(CPdCH)(CCH)(H)	H(CCC)	C(CPdCH)(CCH)(H)	C(CPdCH)(CCH)(H)	H(CCC)	112.8810	0.000	1	112.8810	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CPtCH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CPtCH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	115.8890	0.000	1	115.8890	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CPtCH)(CCH)(H)	C(CPtCH)(CCH)(H)	H(CCC)	C(CPtCH)(CCH)(H)	C(CPtCH)(CCH)(H)	H(CCC)	119.0932	0.786	31	119.0932	0.618	31	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CRuCH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	C(CRuCH)(CCH)(H)	C(CCHH)(CCH)(H)	H(CCC)	117.4311	0.156	8	117.4311	0.024	8	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CRuCH)(CCH)(H)	C(CRuCH)(CCH)(H)	H(CCC)	C(CRuCH)(CCH)(H)	C(CRuCH)(CCH)(H)	H(CCC)	120.6839	1.988	8	120.6839	3.953	8	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CSiHH)(CCH)(H)	C(CSiHH)(CCH)(H)	H(CCC)	C(CSiHH)(CCH)(H)	C(CSiHH)(CCH)(H)	H(CCC)	117.9666	1.180	5	117.9666	1.393	5	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CSiHH)(CCH)(H)	C(CSiTiH)(CCH)(H)	H(CCC)	C(CSiHH)(CCH)(H)	C(CSiTiH)(CCH)(H)	H(CCC)	118.3400	0.000	1	118.3400	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CSiTiH)(CCH)(H)	C(CSiHH)(CCH)(H)	H(CCC)	C(CSiTiH)(CCH)(H)	C(CSiHH)(CCH)(H)	H(CCC)	117.0070	0.000	1	117.0070	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CSi[4]HH)(CCH)(H)	C(CC[4]HH)(CCH)(H)	H(CCC)	C(CSi[4]HH)(CCH)(H)	C(CC[4]HH)(CCH)(H)	H(CCC)	113.9490	0.000	1	113.9490	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CSnHN)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CSnHN)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	112.5920	0.000	1	112.5920	0.000	1	117.3529	5.843	1100	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:I-1:	C-3:	C(CC[6]HN)(CCI)(H)	C(CH3)(CCH)(I)	H(CCC)	C(CC[6]HN)(CCI)(H)	C(CH3)(CCH)(I)	H(CCC)	116.3310	1.564	2	116.3310	2.446	2	116.3540	1.225	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:C-3:I-1:	C-3:	C(CHHO)(CCI)(H)	C(CN[5]HH)(CCH)(I)	H(CCC)	C(CHHO)(CCI)(H)	C(CN[5]HH)(CCH)(I)	H(CCC)	116.4000	0.000	1	116.4000	0.000	1	116.3540	1.225	3	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[4]CH)(CC[3]H)(H)	C(C[3]C[3]2H)(CCH)(H)	H(CCC)	C(CC[4]CH)(CC[3]H)(H)	C(C[3]C[3]2H)(CCH)(H)	H(CCC)	117.5885	0.412	2	117.5885	0.170	2	117.4020	0.282	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[5]HO)(CC[3]H)(H)	C(C[3]C[3,5]2H)(CCH)(H)	H(CCC)	C(CC[5]HO)(CC[3]H)(H)	C(C[3]C[3,5]2H)(CCH)(H)	H(CCC)	117.5580	0.000	1	117.5580	0.000	1	117.4020	0.282	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[5a]CC)(CC[3]H)(H)	C(C[3]C[3]2H)(CCH)(H)	H(CCC)	C(CC[5a]CC)(CC[3]H)(H)	C(C[3]C[3]2H)(CCH)(H)	H(CCC)	116.5350	0.000	1	116.5350	0.000	1	117.4020	0.282	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(CC[6a]HO)(CC[3]H)(H)	C(C[3]C[3]O[3]H)(CCH)(H)	H(CCC)	C(CC[6a]HO)(CC[3]H)(H)	C(C[3]C[3]O[3]H)(CCH)(H)	H(CCC)	117.7400	0.000	1	117.7400	0.000	1	117.4020	0.282	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[4]-4:C-3:H-1:	C-3:	C(CC[6]CH)(CC[4]H)(H)	C(C[4]C[4,6]N[4]H)(CCH)(H)	H(CCC)	C(CC[6]CH)(CC[4]H)(H)	C(C[4]C[4,6]N[4]H)(CCH)(H)	H(CCC)	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[5]HO)(CC[5]H)(H)	C(C[5]C[3,5]C[5]H)(CCH)(H)	H(CCC)	C(CC[5]HO)(CC[5]H)(H)	C(C[5]C[3,5]C[5]H)(CCH)(H)	H(CCC)	115.0050	0.000	1	115.0050	0.000	1	115.9400	1.748	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(CC[6a]HH)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	H(CCC)	C(CC[6a]HH)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	H(CCC)	116.8750	0.000	1	116.8750	0.000	1	115.9400	1.748	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[4]HH)(CC[6]H)(H)	C(C[6]C[4,6]C[6]C)(CCH)(H)	H(CCC)	C(CC[4]HH)(CC[6]H)(H)	C(C[6]C[4,6]C[6]C)(CCH)(H)	H(CCC)	114.6290	0.000	1	114.6290	0.000	1	115.0466	0.755	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[5a]CC)(CC[6]H)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	H(CCC)	C(CC[5a]CC)(CC[6]H)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	H(CCC)	113.8120	0.000	1	113.8120	0.000	1	115.0466	0.755	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]ClH)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]ClH)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	H(CCC)	115.8330	0.000	1	115.8330	0.000	1	115.0466	0.755	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CC[6]HO)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	H(CCC)	C(CC[6]HO)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	H(CCC)	115.8850	0.000	1	115.8850	0.000	1	115.0466	0.755	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(CP[6]HH)(CC[6]H)(H)	C(C[6]P[5,5,6]C[6]H)(CCH)(H)	H(CCC)	C(CP[6]HH)(CC[6]H)(H)	C(C[6]P[5,5,6]C[6]H)(CCH)(H)	H(CCC)	115.0740	0.000	1	115.0740	0.000	1	115.0466	0.755	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	N-4:C-3:H-1:	C-3:	C(CPtHH)(CHN)(H)	C(NPtCC)(CCH)(H)	H(CCC)	C(CPtHH)(CHN)(H)	C(NPtCC)(CCH)(H)	H(CCC)	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	P-4:C-3:Br-1:	C-3:	C(CCCO)(CBrP)(H)	C(PC[6a]2O)(CCH)(Br)	H(CCC)	C(CCCO)(CBrP)(H)	C(PC[6a]2O)(CCH)(Br)	H(CCC)	115.0820	0.000	1	115.0820	0.000	1	115.0820	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(CC3)(CHP)(H)	C(PC[6a]3)(CCH)(H)	H(CCC)	C(CC3)(CHP)(H)	C(PC[6a]3)(CCH)(H)	H(CCC)	119.0460	0.000	1	119.0460	0.000	1	116.2432	2.090	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(CC[5]CH)(CHP)(H)	C(PO3)(CCH)(H)	H(CCC)	C(CC[5]CH)(CHP)(H)	C(PO3)(CCH)(H)	H(CCC)	116.9970	0.000	1	116.9970	0.000	1	116.2432	2.090	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(CC[6a]HN)(CHP)(H)	C(PO3)(CCH)(H)	H(CCC)	C(CC[6a]HN)(CHP)(H)	C(PO3)(CCH)(H)	H(CCC)	117.4430	0.000	1	117.4430	0.000	1	116.2432	2.090	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(CH3)(CHP)(H)	C(PC[6a]3)(CCH)(H)	H(CCC)	C(CH3)(CHP)(H)	C(PC[6a]3)(CCH)(H)	H(CCC)	117.1825	0.110	2	117.1825	0.012	2	116.2432	2.090	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(CH3)(CHP)(H)	C(PC[6a]PdC)(CCH)(H)	H(CCC)	C(CH3)(CHP)(H)	C(PC[6a]PdC)(CCH)(H)	H(CCC)	115.1373	0.620	6	115.1373	0.385	6	116.2432	2.090	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	S-4:C-3:H-1:	C-3:	C(CCHN)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	C(CCHN)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	118.0770	0.000	1	118.0770	0.000	1	117.1865	2.711	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	S-4:C-3:H-1:	C-3:	C(CCHO)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	C(CCHO)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	116.1830	1.455	6	116.1830	2.117	6	117.1865	2.711	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	S-4:C-3:H-1:	C-3:	C(CC[6a]HN)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	C(CC[6a]HN)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	118.0460	0.409	2	118.0460	0.167	2	117.1865	2.711	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	S-4:C-3:H-1:	C-3:	C(CH3)(CHS)(H)	C(SC[6a]NO)(CCH)(H)	H(CCC)	C(CH3)(CHS)(H)	C(SC[6a]NO)(CCH)(H)	H(CCC)	117.8370	0.000	1	117.8370	0.000	1	117.1865	2.711	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	S-4:C-3:H-1:	C-3:	C(CN[5]CH)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	C(CN[5]CH)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	H(CCC)	119.9480	0.000	1	119.9480	0.000	1	117.1865	2.711	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CAlSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CAlSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	116.1837	0.125	3	116.1837	0.016	3	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CAsSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CAsSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	116.4493	0.226	3	116.4493	0.051	3	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CCCO)(CSiH)(H)	C(SiC[6a]3)(CCH)(H)	H(CCC)	C(CCCO)(CSiH)(H)	C(SiC[6a]3)(CCH)(H)	H(CCC)	116.2180	0.000	1	116.2180	0.000	1	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CFeSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CFeSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	115.0630	0.000	1	115.0630	0.000	1	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CHHS)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CHHS)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	122.1290	0.000	1	122.1290	0.000	1	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CIrCH)(CSiH)(H)	C(SiIrCC)(CCH)(H)	H(CCC)	C(CIrCH)(CSiH)(H)	C(SiIrCC)(CCH)(H)	H(CCC)	124.3750	0.000	1	124.3750	0.000	1	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CLiCH)(CSiH)(H)	C(SiCCN)(CCH)(H)	H(CCC)	C(CLiCH)(CSiH)(H)	C(SiCCN)(CCH)(H)	H(CCC)	117.0005	0.968	2	117.0005	0.937	2	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CMnSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CMnSiH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	113.3413	6.479	4	113.3413	41.975	4	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CRuCC)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CRuCC)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	115.8270	0.000	1	115.8270	0.000	1	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CSeHH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CSeHH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	118.0180	0.000	1	118.0180	0.000	1	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiSnH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CSiSnH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	116.5585	0.250	4	116.5585	0.063	4	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(CSiZnH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	C(CSiZnH)(CSiH)(H)	C(SiC3)(CCH)(H)	H(CCC)	115.4353	0.173	3	115.4353	0.030	3	116.3774	11.234	25	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[3]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[3]C[3,5]2H)(CCH)(H)	C(CC[5]HO)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3,5]2H)(CCH)(H)	C(CC[5]HO)(CC[3]H)(H)	H(CC[3]C)	112.5480	0.000	1	112.5480	0.000	1	116.0660	4.199	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[3]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[3]C[3]2H)(CCH)(H)	C(CC[4]CH)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3]2H)(CCH)(H)	C(CC[4]CH)(CC[3]H)(H)	H(CC[3]C)	116.3850	0.173	2	116.3850	0.030	2	116.0660	4.199	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[3]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[3]C[3]2H)(CCH)(H)	C(CC[5a]CC)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3]2H)(CCH)(H)	C(CC[5a]CC)(CC[3]H)(H)	H(CC[3]C)	117.3670	0.000	1	117.3670	0.000	1	116.0660	4.199	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[3]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[3]C[3]O[3]H)(CCH)(H)	C(CC[6a]HO)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3]O[3]H)(CCH)(H)	C(CC[6a]HO)(CC[3]H)(H)	H(CC[3]C)	117.6450	0.000	1	117.6450	0.000	1	116.0660	4.199	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[3]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[3]C[3,6]2H)(CC[5]H)(H)	C(C[5]C[5,6]C[5]H)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3,6]2H)(CC[5]H)(H)	C(C[5]C[5,6]C[5]H)(CC[3]H)(H)	H(CC[3]C)	113.7650	0.000	1	113.7650	0.000	1	116.0040	10.026	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[3]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[3]C[3]2H)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CC[3]H)(H)	H(CC[3]C)	C(C[3]C[3]2H)(CC[5]H)(H)	C(C[5]C[5]N[5]H)(CC[3]H)(H)	H(CC[3]C)	118.2430	0.000	1	118.2430	0.000	1	116.0040	10.026	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[4]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[4]C[4,6]N[4]H)(CCH)(H)	C(CC[6]CH)(CC[4]H)(H)	H(CC[4]C)	C(C[4]C[4,6]N[4]H)(CCH)(H)	C(CC[6]CH)(CC[4]H)(H)	H(CC[4]C)	115.5040	0.000	1	115.5040	0.000	1	115.5040	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[5]C[3,5]C[5]H)(CCH)(H)	C(CC[5]HO)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[3,5]C[5]H)(CCH)(H)	C(CC[5]HO)(CC[5]H)(H)	H(CC[5]C)	116.1940	0.000	1	116.1940	0.000	1	117.3270	2.567	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CCH)(H)	C(CC[6a]HH)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CCH)(H)	C(CC[6a]HH)(CC[5]H)(H)	H(CC[5]C)	118.4600	0.000	1	118.4600	0.000	1	117.3270	2.567	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(C[5]C[5,6]C[5]H)(CC[3]H)(H)	C(C[3]C[3,6]2H)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5,6]C[5]H)(CC[3]H)(H)	C(C[3]C[3,6]2H)(CC[5]H)(H)	H(CC[5]C)	114.2720	0.000	1	114.2720	0.000	1	116.1735	7.231	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:	C(C[5]C[5]N[5]H)(CC[3]H)(H)	C(C[3]C[3]2H)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[3]H)(H)	C(C[3]C[3]2H)(CC[5]H)(H)	H(CC[5]C)	118.0750	0.000	1	118.0750	0.000	1	116.1735	7.231	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2C)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2C)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[5]H)(H)	H(CC[5]C)	118.7970	0.000	1	118.7970	0.000	1	117.5439	0.607	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[5]H)(H)	H(CC[5]C)	117.2660	0.875	6	117.2660	0.765	6	117.5439	0.607	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[5]H)(H)	C(C[5]C[5]2C)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[5]H)(H)	C(C[5]C[5]2C)(CC[5]H)(H)	H(CC[5]C)	117.9070	0.000	1	117.9070	0.000	1	117.5439	0.607	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[5]C[5]2H)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2H)(CC[5]H)(H)	C(C[5]C[5]2H)(CC[5]H)(H)	H(CC[5]C)	117.5610	0.193	3	117.5610	0.037	3	117.5439	0.607	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[5]C[5]2Fe)(CC[6]H)(H)	C(C[6]C[6]2Ru)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]2Fe)(CC[6]H)(H)	C(C[6]C[6]2Ru)(CC[5]H)(H)	H(CC[5]C)	117.0390	0.000	1	117.0390	0.000	1	117.7160	0.917	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(CC[6]H)(H)	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[6]H)(H)	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	H(CC[5]C)	118.3930	0.000	1	118.3930	0.000	1	117.7160	0.917	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6]C[4,6]C[6]C)(CCH)(H)	C(CC[4]HH)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[4,6]C[6]C)(CCH)(H)	C(CC[4]HH)(CC[6]H)(H)	H(CC[6]C)	113.6320	0.000	1	113.6320	0.000	1	115.4726	1.851	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C(CC[5a]CC)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C(CC[5a]CC)(CC[6]H)(H)	H(CC[6]C)	115.0610	0.000	1	115.0610	0.000	1	115.4726	1.851	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CC[6]ClH)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CC[6]ClH)(CC[6]H)(H)	H(CC[6]C)	116.8000	0.000	1	116.8000	0.000	1	115.4726	1.851	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CC[6]HO)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CC[6]HO)(CC[6]H)(H)	H(CC[6]C)	116.8450	0.000	1	116.8450	0.000	1	115.4726	1.851	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(C[6]P[5,5,6]C[6]H)(CCH)(H)	C(CP[6]HH)(CC[6]H)(H)	H(CC[6]C)	C(C[6]P[5,5,6]C[6]H)(CCH)(H)	C(CP[6]HH)(CC[6]H)(H)	H(CC[6]C)	115.0250	0.000	1	115.0250	0.000	1	115.4726	1.851	5	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	C(C[5]C[5]O[5]H)(CC[6]H)(H)	H(CC[6]C)	117.4910	0.000	1	117.4910	0.000	1	117.1440	0.241	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:	C(C[6]C[6]2Ru)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2Ru)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CC[6]H)(H)	H(CC[6]C)	116.7970	0.000	1	116.7970	0.000	1	117.1440	0.241	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6,6]H)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6,6]H)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6]H)(H)	H(CC[6]C)	118.4700	0.000	1	118.4700	0.000	1	118.3949	3.541	7	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6]H)(H)	H(CC[6]C)	117.6630	0.000	2	117.6630	0.000	2	118.3949	3.541	7	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2Fe)(CC[6]H)(H)	C(C[6]C[6]2Fe)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2Fe)(CC[6]H)(H)	C(C[6]C[6]2Fe)(CC[6]H)(H)	H(CC[6]C)	117.7820	0.000	1	117.7820	0.000	1	118.3949	3.541	7	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6]H)(H)	C(C[6]C[5,6]C[6,6]H)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6]H)(H)	C(C[6]C[5,6]C[6,6]H)(CC[6]H)(H)	H(CC[6]C)	122.5700	0.000	1	122.5700	0.000	1	118.3949	3.541	7	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CC[6]H)(H)	H(CC[6]C)	117.3080	0.000	2	117.3080	0.000	2	118.3949	3.541	7	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(C[6]C[6]2O)(CHP)(H)	C(PC[6a]2O)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2O)(CHP)(H)	C(PC[6a]2O)(CC[6]H)(H)	H(CC[6]C)	116.9660	0.000	1	116.9660	0.000	1	118.7125	6.101	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(C[6]C[6]2Rh)(CHP)(H)	C(PC[6]2Rh)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]2Rh)(CHP)(H)	C(PC[6]2Rh)(CC[6]H)(H)	H(CC[6]C)	120.4590	0.000	1	120.4590	0.000	1	118.7125	6.101	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	S-4:C-3:H-1:	C-3:	C(C[6]C[6]N[6]C)(CHS)(H)	C(SC[6a]OO)(CC[6]H)(H)	H(CC[6]C)	C(C[6]C[6]N[6]C)(CHS)(H)	C(SC[6a]OO)(CC[6]H)(H)	H(CC[6]C)	122.7300	0.000	1	122.7300	0.000	1	122.7300	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	N-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(NPtCC)(CCH)(H)	C(CPtHH)(CHN)(H)	H(CCN)	C(NPtCC)(CCH)(H)	C(CPtHH)(CHN)(H)	H(CCN)	120.7310	0.000	1	120.7310	0.000	1	120.7310	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	N-4:C-3:H-1:	N-4:C-3:H-1:	C-3:	C(NAl2C)(CHN)(H)	C(NAl2C)(CHN)(H)	H(CCN)	C(NAl2C)(CHN)(H)	C(NAl2C)(CHN)(H)	H(CCN)	119.5800	0.219	2	119.5800	0.048	2	115.6492	20.717	4	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	N-4:C-3:H-1:	N-4:C-3:H-1:	C-3:	C(NCoCH)(CHN)(H)	C(NCoCH)(CHN)(H)	H(CCN)	C(NCoCH)(CHN)(H)	C(NCoCH)(CHN)(H)	H(CCN)	111.7185	0.548	2	111.7185	0.300	2	115.6492	20.717	4	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	N-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(NRuCC)(CHP)(H)	C(PRuCC)(CHN)(H)	H(CCN)	C(NRuCC)(CHP)(H)	C(PRuCC)(CHN)(H)	H(CCN)	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	N-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(NLi2C)(CSiH)(H)	C(SiC3)(CHN)(H)	H(CCN)	C(NLi2C)(CSiH)(H)	C(SiC3)(CHN)(H)	H(CCN)	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	B-4:C-3:H-1:	C-3:	C(PC3)(CBH)(H)	C(BC[6a]3)(CHP)(H)	H(CCP)	C(PC3)(CBH)(H)	C(BC[6a]3)(CHP)(H)	H(CCP)	118.4720	0.000	1	118.4720	0.000	1	118.6160	0.041	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	B-4:C-3:H-1:	C-3:	C(PC[6a]2H)(CBH)(H)	C(BC[6a]2O)(CHP)(H)	H(CCP)	C(PC[6a]2H)(CBH)(H)	C(BC[6a]2O)(CHP)(H)	H(CCP)	118.7600	0.000	1	118.7600	0.000	1	118.6160	0.041	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(PC[6a]3)(CCH)(H)	C(CC3)(CHP)(H)	H(CCP)	C(PC[6a]3)(CCH)(H)	C(CC3)(CHP)(H)	H(CCP)	116.7470	0.000	1	116.7470	0.000	1	116.9101	1.308	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(PC[6a]3)(CCH)(H)	C(CH3)(CHP)(H)	H(CCP)	C(PC[6a]3)(CCH)(H)	C(CH3)(CHP)(H)	H(CCP)	117.2365	0.021	2	117.2365	0.000	2	116.9101	1.308	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(PC[6a]PdC)(CCH)(H)	C(CH3)(CHP)(H)	H(CCP)	C(PC[6a]PdC)(CCH)(H)	C(CH3)(CHP)(H)	H(CCP)	116.2800	0.640	6	116.2800	0.410	6	116.9101	1.308	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(PO3)(CCH)(H)	C(CC[5]CH)(CHP)(H)	H(CCP)	C(PO3)(CCH)(H)	C(CC[5]CH)(CHP)(H)	H(CCP)	117.3310	0.000	1	117.3310	0.000	1	116.9101	1.308	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(PO3)(CCH)(H)	C(CC[6a]HN)(CHP)(H)	H(CCP)	C(PO3)(CCH)(H)	C(CC[6a]HN)(CHP)(H)	H(CCP)	119.7800	0.000	1	119.7800	0.000	1	116.9101	1.308	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:C-3:I-1:	C-3:	C(PC[6a]2O)(CCI)(H)	C(CCHO)(CHP)(I)	H(CCP)	C(PC[6a]2O)(CCI)(H)	C(CCHO)(CHP)(I)	H(CCP)	115.8260	0.000	1	115.8260	0.000	1	115.8260	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:C-3:O-1:	C-3:	C(PC3)(CCO)(H)	C(CF3)(CHP)(O)	H(CCP)	C(PC3)(CCO)(H)	C(CF3)(CHP)(O)	H(CCP)	118.1120	0.000	1	118.1120	0.000	1	118.1120	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:	C(PC[6a]3)(CC[5]O)(H)	C(C[5]C[5]2C)(CHP)(O)	H(CCP)	C(PC[6a]3)(CC[5]O)(H)	C(C[5]C[5]2C)(CHP)(O)	H(CCP)	124.6510	0.000	1	124.6510	0.000	1	124.6510	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(PC[6]2Rh)(CC[6]H)(H)	C(C[6]C[6]2Rh)(CHP)(H)	H(CCP)	C(PC[6]2Rh)(CC[6]H)(H)	C(C[6]C[6]2Rh)(CHP)(H)	H(CCP)	120.7370	0.000	1	120.7370	0.000	1	119.3155	4.041	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(PC[6a]2O)(CC[6]H)(H)	C(C[6]C[6]2O)(CHP)(H)	H(CCP)	C(PC[6a]2O)(CC[6]H)(H)	C(C[6]C[6]2O)(CHP)(H)	H(CCP)	117.8940	0.000	1	117.8940	0.000	1	119.3155	4.041	2	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	N-4:C-3:H-1:	C-3:	C(PRuCC)(CHN)(H)	C(NRuCC)(CHP)(H)	H(CCP)	C(PRuCC)(CHN)(H)	C(NRuCC)(CHP)(H)	H(CCP)	121.2350	0.000	1	121.2350	0.000	1	121.2350	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6]2Ni)(CHP)(H)	C(PC[6]2Ni)(CHP)(H)	H(CCP)	C(PC[6]2Ni)(CHP)(H)	C(PC[6]2Ni)(CHP)(H)	H(CCP)	121.5510	0.191	2	121.5510	0.036	2	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2Ag)(CHP)(H)	C(PC[6a]2Ag)(CHP)(H)	H(CCP)	C(PC[6a]2Ag)(CHP)(H)	C(PC[6a]2Ag)(CHP)(H)	H(CCP)	117.8353	0.400	6	117.8353	0.160	6	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2Au)(CHP)(H)	C(PC[6a]2Au)(CHP)(H)	H(CCP)	C(PC[6a]2Au)(CHP)(H)	C(PC[6a]2Au)(CHP)(H)	H(CCP)	118.4100	1.518	9	118.4100	2.305	9	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2Cu)(CHP)(H)	C(PC[6a]2Cu)(CHP)(H)	H(CCP)	C(PC[6a]2Cu)(CHP)(H)	C(PC[6a]2Cu)(CHP)(H)	H(CCP)	119.4085	0.278	6	119.4085	0.077	6	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2Fe)(CHP)(H)	C(PC[6a]2Fe)(CHP)(H)	H(CCP)	C(PC[6a]2Fe)(CHP)(H)	C(PC[6a]2Fe)(CHP)(H)	H(CCP)	121.1499	0.565	45	121.1499	0.320	45	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2Ir)(CHP)(H)	C(PC[6a]2Ir)(CHP)(H)	H(CCP)	C(PC[6a]2Ir)(CHP)(H)	C(PC[6a]2Ir)(CHP)(H)	H(CCP)	120.5630	3.430	6	120.5630	11.768	6	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2Mo)(CHP)(H)	C(PC[6a]2Mo)(CHP)(H)	H(CCP)	C(PC[6a]2Mo)(CHP)(H)	C(PC[6a]2Mo)(CHP)(H)	H(CCP)	119.5280	2.295	2	119.5280	5.268	2	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2Ni)(CHP)(H)	C(PC[6a]2Ni)(CHP)(H)	H(CCP)	C(PC[6a]2Ni)(CHP)(H)	C(PC[6a]2Ni)(CHP)(H)	H(CCP)	121.5545	0.136	4	121.5545	0.018	4	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2O)(CHP)(H)	C(PC[6a]2O)(CHP)(H)	H(CCP)	C(PC[6a]2O)(CHP)(H)	C(PC[6a]2O)(CHP)(H)	H(CCP)	115.7880	0.000	1	115.7880	0.000	1	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2Os)(CHP)(H)	C(PC[6a]2Os)(CHP)(H)	H(CCP)	C(PC[6a]2Os)(CHP)(H)	C(PC[6a]2Os)(CHP)(H)	H(CCP)	121.5832	1.048	6	121.5832	1.098	6	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2Pd)(CHP)(H)	C(PC[6a]2Pd)(CHP)(H)	H(CCP)	C(PC[6a]2Pd)(CHP)(H)	C(PC[6a]2Pd)(CHP)(H)	H(CCP)	120.8820	0.579	4	120.8820	0.336	4	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2Ru)(CHP)(H)	C(PC[6a]2Ru)(CHP)(H)	H(CCP)	C(PC[6a]2Ru)(CHP)(H)	C(PC[6a]2Ru)(CHP)(H)	H(CCP)	120.8747	0.560	14	120.8747	0.313	14	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]2Se)(CHP)(H)	C(PC[6a]2Se)(CHP)(H)	H(CCP)	C(PC[6a]2Se)(CHP)(H)	C(PC[6a]2Se)(CHP)(H)	H(CCP)	118.6275	0.045	2	118.6275	0.002	2	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]CO)(CHP)(H)	C(PC[6a]CO)(CHP)(H)	H(CCP)	C(PC[6a]CO)(CHP)(H)	C(PC[6a]CO)(CHP)(H)	H(CCP)	119.3345	0.437	4	119.3345	0.191	4	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]C[6]Mo)(CHP)(H)	C(PC[6a]C[6]Mo)(CHP)(H)	H(CCP)	C(PC[6a]C[6]Mo)(CHP)(H)	C(PC[6a]C[6]Mo)(CHP)(H)	H(CCP)	122.9465	0.077	2	122.9465	0.006	2	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	P-4:C-3:H-1:	C-3:	C(PC[6a]C[6]O)(CHP)(H)	C(PC[6a]C[6]O)(CHP)(H)	H(CCP)	C(PC[6a]C[6]O)(CHP)(H)	C(PC[6a]C[6]O)(CHP)(H)	H(CCP)	106.7680	0.000	1	106.7680	0.000	1	120.3594	4.143	114	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SC[6a]NO)(CCH)(H)	C(CH3)(CHS)(H)	H(CCS)	C(SC[6a]NO)(CCH)(H)	C(CH3)(CHS)(H)	H(CCS)	120.3260	0.000	1	120.3260	0.000	1	119.3249	6.240	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SC[6a]OO)(CCH)(H)	C(CCHN)(CHS)(H)	H(CCS)	C(SC[6a]OO)(CCH)(H)	C(CCHN)(CHS)(H)	H(CCS)	119.7070	0.000	1	119.7070	0.000	1	119.3249	6.240	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SC[6a]OO)(CCH)(H)	C(CCHO)(CHS)(H)	H(CCS)	C(SC[6a]OO)(CCH)(H)	C(CCHO)(CHS)(H)	H(CCS)	118.0055	2.065	6	118.0055	4.265	6	119.3249	6.240	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SC[6a]OO)(CCH)(H)	C(CC[6a]HN)(CHS)(H)	H(CCS)	C(SC[6a]OO)(CCH)(H)	C(CC[6a]HN)(CHS)(H)	H(CCS)	119.9155	0.380	2	119.9155	0.144	2	119.3249	6.240	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SC[6a]OO)(CCH)(H)	C(CN[5]CH)(CHS)(H)	H(CCS)	C(SC[6a]OO)(CCH)(H)	C(CN[5]CH)(CHS)(H)	H(CCS)	124.6770	0.000	1	124.6770	0.000	1	119.3249	6.240	11	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:	C(SC[6a]OO)(CC[6]H)(H)	C(C[6]C[6]N[6]C)(CHS)(H)	H(CCS)	C(SC[6a]OO)(CC[6]H)(H)	C(C[6]C[6]N[6]C)(CHS)(H)	H(CCS)	125.4760	0.000	1	125.4760	0.000	1	125.4760	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CAlSiH)(CSiH)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CAlSiH)(CSiH)(H)	H(CSiC)	116.7913	0.380	3	116.7913	0.144	3	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CAsSiH)(CSiH)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CAsSiH)(CSiH)(H)	H(CSiC)	117.4767	0.516	3	117.4767	0.266	3	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CFeSiH)(CSiH)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CFeSiH)(CSiH)(H)	H(CSiC)	117.5270	0.000	1	117.5270	0.000	1	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CHHS)(CSiH)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CHHS)(CSiH)(H)	H(CSiC)	116.9980	0.000	1	116.9980	0.000	1	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CMnSiH)(CSiH)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CMnSiH)(CSiH)(H)	H(CSiC)	111.3632	5.216	4	111.3632	27.209	4	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CRuCC)(CSiH)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CRuCC)(CSiH)(H)	H(CSiC)	116.3770	0.000	1	116.3770	0.000	1	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CSeHH)(CSiH)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CSeHH)(CSiH)(H)	H(CSiC)	117.5520	0.000	1	117.5520	0.000	1	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CSiSnH)(CSiH)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CSiSnH)(CSiH)(H)	H(CSiC)	116.9770	0.401	3	116.9770	0.161	3	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiC3)(CCH)(H)	C(CSiZnH)(CSiH)(H)	H(CSiC)	C(SiC3)(CCH)(H)	C(CSiZnH)(CSiH)(H)	H(CSiC)	117.5843	0.184	3	117.5843	0.034	3	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiCCN)(CCH)(H)	C(CLiCH)(CSiH)(H)	H(CSiC)	C(SiCCN)(CCH)(H)	C(CLiCH)(CSiH)(H)	H(CSiC)	117.4490	1.049	2	117.4490	1.101	2	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiC[6a]3)(CCH)(H)	C(CCCO)(CSiH)(H)	H(CSiC)	C(SiC[6a]3)(CCH)(H)	C(CCCO)(CSiH)(H)	H(CSiC)	116.6830	0.000	1	116.6830	0.000	1	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(SiIrCC)(CCH)(H)	C(CIrCH)(CSiH)(H)	H(CSiC)	C(SiIrCC)(CCH)(H)	C(CIrCH)(CSiH)(H)	H(CSiC)	123.9980	0.000	1	123.9980	0.000	1	116.4989	11.186	24	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	N-4:C-3:H-1:	C-3:	C(SiC3)(CHN)(H)	C(NLi2C)(CSiH)(H)	H(CSiC)	C(SiC3)(CHN)(H)	C(NLi2C)(CSiH)(H)	H(CSiC)	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(SiC3)(CSiH)(H)	C(SiC[6a]3)(CSiH)(H)	H(CSiC)	C(SiC3)(CSiH)(H)	C(SiC[6a]3)(CSiH)(H)	H(CSiC)	116.2600	0.000	1	116.2600	0.000	1	115.9766	9.774	10	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(SiC[3x3,4,3x5,14x6]CC)(CSiH)(H)	C(SiC[3x3,4,3x5,14x6]CC)(CSiH)(H)	H(CSiC)	C(SiC[3x3,4,3x5,14x6]CC)(CSiH)(H)	C(SiC[3x3,4,3x5,14x6]CC)(CSiH)(H)	H(CSiC)	116.1370	0.000	1	116.1370	0.000	1	115.9766	9.774	10	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(SiC[6a]2C)(CSiH)(H)	C(SiCl3)(CSiH)(H)	H(CSiC)	C(SiC[6a]2C)(CSiH)(H)	C(SiCl3)(CSiH)(H)	H(CSiC)	117.4370	0.000	1	117.4370	0.000	1	115.9766	9.774	10	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(SiC[6a]2C)(CSiH)(H)	C(SiClCC)(CSiH)(H)	H(CSiC)	C(SiC[6a]2C)(CSiH)(H)	C(SiClCC)(CSiH)(H)	H(CSiC)	117.1950	0.000	1	117.1950	0.000	1	115.9766	9.774	10	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(SiC[6a]2H)(CSiH)(H)	C(SiC[6a]3)(CSiH)(H)	H(CSiC)	C(SiC[6a]2H)(CSiH)(H)	C(SiC[6a]3)(CSiH)(H)	H(CSiC)	116.2810	0.000	1	116.2810	0.000	1	115.9766	9.774	10	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(SiC[6a]3)(CSiH)(H)	C(SiC3)(CSiH)(H)	H(CSiC)	C(SiC[6a]3)(CSiH)(H)	C(SiC3)(CSiH)(H)	H(CSiC)	115.5440	0.000	1	115.5440	0.000	1	115.9766	9.774	10	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(SiC[6a]3)(CSiH)(H)	C(SiC[6a]2H)(CSiH)(H)	H(CSiC)	C(SiC[6a]3)(CSiH)(H)	C(SiC[6a]2H)(CSiH)(H)	H(CSiC)	107.4710	0.000	1	107.4710	0.000	1	115.9766	9.774	10	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(SiC[6a]CC)(CSiH)(H)	C(SiC[6a]CC)(CSiH)(H)	H(CSiC)	C(SiC[6a]CC)(CSiH)(H)	C(SiC[6a]CC)(CSiH)(H)	H(CSiC)	116.8220	0.000	1	116.8220	0.000	1	115.9766	9.774	10	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(SiCl3)(CSiH)(H)	C(SiC[6a]2C)(CSiH)(H)	H(CSiC)	C(SiCl3)(CSiH)(H)	C(SiC[6a]2C)(CSiH)(H)	H(CSiC)	118.2170	0.000	1	118.2170	0.000	1	115.9766	9.774	10	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si-4:C-3:H-1:	Si-4:C-3:H-1:	C-3:	C(SiClCC)(CSiH)(H)	C(SiC[6a]2C)(CSiH)(H)	H(CSiC)	C(SiClCC)(CSiH)(H)	C(SiC[6a]2C)(CSiH)(H)	H(CSiC)	118.4020	0.000	1	118.4020	0.000	1	115.9766	9.774	10	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:1:	3:	Si[5]-4:C-3:H-1:	Si[5]-4:C-3:H-1:	C-3:	C(Si[5]C[5]2N)(CSi[5]H)(H)	C(Si[5]C[5]2N)(CSi[5]H)(H)	H(CSi[5]C)	C(Si[5]C[5]2N)(CSi[5]H)(H)	C(Si[5]C[5]2N)(CSi[5]H)(H)	H(CSi[5]C)	115.1740	0.000	1	115.1740	0.000	1	115.1740	0.000	1	117.5403	6.535	1417	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:C-2:	C-3:	C(CCCH)(CCC)(H)	C(CH3)(CCH)(CC)	H(CCC)	C(CCCH)(CCC)(H)	C(CH3)(CCH)(CC)	H(CCC)	118.0720	0.000	1	118.0720	0.000	1	117.9760	4.935	5	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:C-2:	C-3:	C(CCCH)(CCC)(H)	C(CH3)(CCH)(COs)	H(CCC)	C(CCCH)(CCC)(H)	C(CH3)(CCH)(COs)	H(CCC)	116.4770	0.000	1	116.4770	0.000	1	117.9760	4.935	5	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:C-2:	C-3:	C(CCHH)(CCC)(H)	C(CH3)(CCH)(CN)	H(CCC)	C(CCHH)(CCC)(H)	C(CH3)(CCH)(CN)	H(CCC)	116.9630	0.000	1	116.9630	0.000	1	117.9760	4.935	5	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:C-2:	C-3:	C(CH3)(CCC)(H)	C(CCHH)(CCH)(CC)	H(CCC)	C(CH3)(CCC)(H)	C(CCHH)(CCH)(CC)	H(CCC)	121.7860	0.000	1	121.7860	0.000	1	117.9760	4.935	5	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:C-2:	C-3:	C(CH3)(CCC)(H)	C(CCHH)(CCH)(CN)	H(CCC)	C(CH3)(CCC)(H)	C(CCHH)(CCH)(CN)	H(CCC)	116.5820	0.000	1	116.5820	0.000	1	117.9760	4.935	5	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(CC3)(CCN)(H)	C(CC3)(CCH)(NV)	H(CCC)	C(CC3)(CCN)(H)	C(CC3)(CCH)(NV)	H(CCC)	112.4930	0.000	1	112.4930	0.000	1	115.7767	5.001	4	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(CCCH)(CCN)(H)	C(CCHO)(CCH)(NS)	H(CCC)	C(CCCH)(CCN)(H)	C(CCHO)(CCH)(NS)	H(CCC)	116.5030	0.000	1	116.5030	0.000	1	115.7767	5.001	4	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(CCHH)(CCN)(H)	C(CCHH)(CCH)(NC)	H(CCC)	C(CCHH)(CCN)(H)	C(CCHH)(CCH)(NC)	H(CCC)	117.0555	0.650	2	117.0555	0.422	2	115.7767	5.001	4	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCFF)(CCO)(H)	C(CCFF)(CCH)(OC)	H(CCC)	C(CCFF)(CCO)(H)	C(CCFF)(CCH)(OC)	H(CCC)	116.0100	0.157	4	116.0100	0.025	4	115.9607	2.026	11	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCHH)(CCO)(H)	C(CCFF)(CCH)(OC)	H(CCC)	C(CCHH)(CCO)(H)	C(CCFF)(CCH)(OC)	H(CCC)	117.7950	0.000	1	117.7950	0.000	1	115.9607	2.026	11	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CCHH)(CCO)(H)	C(CCHH)(CCH)(OC)	H(CCC)	C(CCHH)(CCO)(H)	C(CCHH)(CCH)(OC)	H(CCC)	116.5365	0.435	2	116.5365	0.189	2	115.9607	2.026	11	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5]CH)(CCO)(H)	C(CC[5]HH)(CCH)(OSi)	H(CCC)	C(CC[5]CH)(CCO)(H)	C(CC[5]HH)(CCH)(OSi)	H(CCC)	112.3140	0.000	1	112.3140	0.000	1	115.9607	2.026	11	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[5]HH)(CCO)(H)	C(CC[5]CH)(CCH)(OSi)	H(CCC)	C(CC[5]HH)(CCO)(H)	C(CC[5]CH)(CCH)(OSi)	H(CCC)	115.4530	0.000	1	115.4530	0.000	1	115.9607	2.026	11	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CC[6]HN)(CCO)(H)	C(CH3)(CCH)(OPt)	H(CCC)	C(CC[6]HN)(CCO)(H)	C(CH3)(CCH)(OPt)	H(CCC)	117.4300	0.000	1	117.4300	0.000	1	115.9607	2.026	11	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(CSiCH)(CCO)(H)	C(CCHO)(CCH)(OSi)	H(CCC)	C(CSiCH)(CCO)(H)	C(CCHO)(CCH)(OSi)	H(CCC)	115.4630	0.000	1	115.4630	0.000	1	115.9607	2.026	11	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:	C(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(OSi)	H(CCC)	C(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(OSi)	H(CCC)	114.3935	0.043	2	114.3935	0.002	2	114.5270	0.054	3	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:	C(CC[6a]C[6]H)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(OSi)	H(CCC)	C(CC[6a]C[6]H)(CC[5]O)(H)	C(C[5]C[5]2H)(CCH)(OSi)	H(CCC)	114.7940	0.000	1	114.7940	0.000	1	114.5270	0.054	3	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	P-4:C-3:C-2:	C-3:	C(CCHH)(CCP)(H)	C(PC[6a]3)(CCH)(COs)	H(CCC)	C(CCHH)(CCP)(H)	C(PC[6a]3)(CCH)(COs)	H(CCC)	117.4860	0.000	1	117.4860	0.000	1	117.4860	0.000	1	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	P-4:C-3:O-2:	C-3:	C(CFe2C)(COP)(H)	C(PC[6a]3)(CCH)(OFe)	H(CCC)	C(CFe2C)(COP)(H)	C(PC[6a]3)(CCH)(OFe)	H(CCC)	124.2155	1.005	2	124.2155	1.010	2	123.7000	1.302	3	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	P-4:C-3:O-2:	C-3:	C(CFe2C)(COP)(H)	C(PN3)(CCH)(OFe)	H(CCC)	C(CFe2C)(COP)(H)	C(PN3)(CCH)(OFe)	H(CCC)	122.6690	0.000	1	122.6690	0.000	1	123.7000	1.302	3	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	Si-4:C-3:O-2:	C-3:	C(CC[6a]CH)(CSiO)(H)	C(SiC3)(CCH)(OC)	H(CCC)	C(CC[6a]CH)(CSiO)(H)	C(SiC3)(CCH)(OC)	H(CCC)	117.0050	0.000	1	117.0050	0.000	1	116.7057	0.068	3	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	Si-4:C-3:O-2:	C-3:	C(CC[6a]SiH)(CSiO)(H)	C(SiC3)(CCH)(OC)	H(CCC)	C(CC[6a]SiH)(CSiO)(H)	C(SiC3)(CCH)(OC)	H(CCC)	116.5850	0.000	1	116.5850	0.000	1	116.7057	0.068	3	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	Si-4:C-3:O-2:	C-3:	C(CC[6a]SnH)(CSiO)(H)	C(SiC3)(CCH)(OC)	H(CCC)	C(CC[6a]SnH)(CSiO)(H)	C(SiC3)(CCH)(OC)	H(CCC)	116.5270	0.000	1	116.5270	0.000	1	116.7057	0.068	3	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	C[5]-4:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(C[5]C[5]2Co)(CCN)(H)	C(CC[6a]2H)(CC[5]H)(NC[6a])	H(CC[5]C)	C(C[5]C[5]2Co)(CCN)(H)	C(CC[6a]2H)(CC[5]H)(NC[6a])	H(CC[5]C)	115.7140	0.000	1	115.7140	0.000	1	115.7140	0.000	1	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	P-4:C-3:H-1:	C-4:C-3:O-2:	C-3:	C(PC[6a]3)(CCO)(H)	C(CH3)(CHP)(OC)	H(CCP)	C(PC[6a]3)(CCO)(H)	C(CH3)(CHP)(OC)	H(CCP)	117.4520	0.000	1	117.4520	0.000	1	117.4520	0.000	1	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	S-4:C-3:H-1:	C-4:C-3:N-2:	C-3:	C(SCOO)(CCN)(H)	C(CH3)(CHS)(NC)	H(CCS)	C(SCOO)(CCN)(H)	C(CH3)(CHS)(NC)	H(CCS)	120.0630	0.000	1	120.0630	0.000	1	120.0630	0.000	1	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:2:	3:	Si-4:C-3:H-1:	C-4:C-3:C-2:	C-3:	C(SiC3)(CCC)(H)	C(CRu2C)(CSiH)(CC)	H(CSiC)	C(SiC3)(CCC)(H)	C(CRu2C)(CSiH)(CC)	H(CSiC)	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	116.9840	7.827	34	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	B-4:C-3:H-1:	P-4:C[6a]-3:C-3:	C-3:	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	H(CBC)	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	H(CBC)	112.7655	0.400	2	112.7655	0.160	2	112.7655	0.160	2	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CBrCH)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	C(CBrCH)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	118.0860	0.000	1	118.0860	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC3)(CCC)(H)	C(CC3)(CCH)(COO)	H(CCC)	C(CC3)(CCC)(H)	C(CC3)(CCH)(COO)	H(CCC)	112.4070	0.000	1	112.4070	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCCH)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	C(CCCH)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	113.9740	0.000	1	113.9740	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCCH)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CCCH)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	117.9130	3.271	3	117.9130	10.701	3	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHH)(CCC)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CCHH)(CCC)(CCH)	H(CCC)	116.5050	0.000	1	116.5050	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHH)(CCH)(CHO)	H(CCC)	C(CCHH)(CCC)(H)	C(CCHH)(CCH)(CHO)	H(CCC)	114.4483	0.808	4	114.4483	0.654	4	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	C(CCHH)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	114.5500	0.984	3	114.5500	0.969	3	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHH)(CCH)2	H(CCC)	C(CCHH)(CCC)(H)	C(CCHH)(CCH)2	H(CCC)	115.5460	0.000	1	115.5460	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHO)(CCH)(COO)	H(CCC)	C(CCHH)(CCC)(H)	C(CCHO)(CCH)(COO)	H(CCC)	115.4205	0.035	2	115.4205	0.001	2	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHS)(CCH)(COO)	H(CCC)	C(CCHH)(CCC)(H)	C(CCHS)(CCH)(COO)	H(CCC)	116.0490	0.000	1	116.0490	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[6a]CH)(CCH)(COO)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[6a]CH)(CCH)(COO)	H(CCC)	116.6680	0.000	1	116.6680	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CH3)(CCH)(CCO)	H(CCC)	C(CCHH)(CCC)(H)	C(CH3)(CCH)(CCO)	H(CCC)	115.4588	1.077	4	115.4588	1.159	4	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CH3)(CCH)(CHN)	H(CCC)	C(CCHH)(CCC)(H)	C(CH3)(CCH)(CHN)	H(CCC)	116.0440	0.427	2	116.0440	0.182	2	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CH3)(CCH)(CNO)	H(CCC)	C(CCHH)(CCC)(H)	C(CH3)(CCH)(CNO)	H(CCC)	116.4090	0.000	1	116.4090	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	C(CCHH)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	115.5432	1.379	5	115.5432	1.902	5	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CCHH)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	115.5486	0.337	5	115.5486	0.114	5	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CHHO)(CCH)(CCO)	H(CCC)	C(CCHH)(CCC)(H)	C(CHHO)(CCH)(CCO)	H(CCC)	116.3580	0.000	1	116.3580	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHN)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CCHN)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	116.5385	0.598	2	116.5385	0.357	2	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHO)(CCC)(H)	C(CCHH)(CCH)2	H(CCC)	C(CCHO)(CCC)(H)	C(CCHH)(CCH)2	H(CCC)	115.6140	0.396	2	115.6140	0.157	2	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CCHO)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	C(CCHO)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	115.8680	0.226	5	115.8680	0.051	5	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5,6,6]HH)(CCC)(H)	C(CH3)(CCH)(CHO)	H(CCC)	C(CC[5,6,6]HH)(CCC)(H)	C(CH3)(CCH)(CHO)	H(CCC)	116.8385	0.254	2	116.8385	0.064	2	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]CH)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	C(CC[5]CH)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	118.3160	0.000	1	118.3160	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]CH)(CCC)(H)	C(CH3)(CCH)(CHO)	H(CCC)	C(CC[5]CH)(CCC)(H)	C(CH3)(CCH)(CHO)	H(CCC)	117.1180	0.000	1	117.1180	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]CH)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	C(CC[5]CH)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	117.0040	0.000	1	117.0040	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]HH)(CCC)(H)	C(CC[5]HH)(CCC)(CCH)	H(CCC)	C(CC[5]HH)(CCC)(H)	C(CC[5]HH)(CCC)(CCH)	H(CCC)	119.4480	0.000	1	119.4480	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]HH)(CCC)(H)	C(CC[6a]CH)(CCH)(CHO)	H(CCC)	C(CC[5]HH)(CCC)(H)	C(CC[6a]CH)(CCH)(CHO)	H(CCC)	116.5630	0.000	1	116.5630	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]HO)(CCC)(H)	C(CH3)(CCH)(CCO)	H(CCC)	C(CC[5]HO)(CCC)(H)	C(CH3)(CCH)(CCO)	H(CCC)	116.3880	0.000	1	116.3880	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[5]HO)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	C(CC[5]HO)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	116.7470	0.000	1	116.7470	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6]HH)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	C(CC[6]HH)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	118.3610	0.000	1	118.3610	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6]HH)(CCC)(H)	C(CC[6a]HN)(CCH)(COO)	H(CCC)	C(CC[6]HH)(CCC)(H)	C(CC[6a]HN)(CCH)(COO)	H(CCC)	114.7120	1.677	2	114.7120	2.813	2	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6]HH)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CC[6]HH)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	117.8163	3.321	3	117.8163	11.031	3	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6]HN)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CC[6]HN)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	115.6260	0.371	2	115.6260	0.137	2	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]2C)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	C(CC[6a]2C)(CCC)(H)	C(CCHH)(CCH)(COO)	H(CCC)	113.4130	0.000	1	113.4130	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CC[6a]HH)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	C(CC[6a]HH)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	116.3560	0.000	1	116.3560	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CH3)(CCC)(H)	C(CCHH)(CCH)(CCO)	H(CCC)	C(CH3)(CCC)(H)	C(CCHH)(CCH)(CCO)	H(CCC)	116.6300	0.000	2	116.6300	0.000	2	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CH3)(CCC)(H)	C(CH3)(CCH)(CNO)	H(CCC)	C(CH3)(CCC)(H)	C(CH3)(CCH)(CNO)	H(CCC)	116.8662	0.436	5	116.8662	0.190	5	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CH3)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	C(CH3)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	115.6998	1.672	36	115.6998	2.796	36	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CH3)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CH3)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	116.8310	0.000	1	116.8310	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CH3)(CCC)(H)	C(CHHO)(CCH)(COO)	H(CCC)	C(CH3)(CCC)(H)	C(CHHO)(CCH)(COO)	H(CCC)	114.8350	0.078	2	114.8350	0.006	2	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CHHN)(CCC)(H)	C(CCCH)(CCH)(COO)	H(CCC)	C(CHHN)(CCC)(H)	C(CCCH)(CCH)(COO)	H(CCC)	116.4600	0.000	1	116.4600	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CHHO)(CCC)(H)	C(CC[5a]C[6a]H)(CCH)(COO)	H(CCC)	C(CHHO)(CCC)(H)	C(CC[5a]C[6a]H)(CCH)(COO)	H(CCC)	116.6735	2.801	2	116.6735	7.845	2	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CHHO)(CCC)(H)	C(CC[6a]C[5]H)(CCH)(COO)	H(CCC)	C(CHHO)(CCC)(H)	C(CC[6a]C[5]H)(CCH)(COO)	H(CCC)	118.7595	0.409	2	118.7595	0.168	2	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CHHO)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	C(CHHO)(CCC)(H)	C(CH3)(CCH)(COO)	H(CCC)	117.3178	1.101	4	117.3178	1.212	4	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CHHS)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	C(CHHS)(CCC)(H)	C(CH3)(CCH)2	H(CCC)	116.5550	0.035	4	116.5550	0.001	4	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CIrHH)(CCC)(H)	C(CIrCC)(CCH)(COO)	H(CCC)	C(CIrHH)(CCC)(H)	C(CIrCC)(CCH)(COO)	H(CCC)	120.1020	0.000	1	120.1020	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(CN[5]HH)(CCC)(H)	C(CCCH)(CCH)(COO)	H(CCC)	C(CN[5]HH)(CCC)(H)	C(CCCH)(CCH)(COO)	H(CCC)	116.5450	0.000	1	116.5450	0.000	1	116.0898	2.617	126	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(CCHH)(CCN)(H)	C(CCHH)(CCH)(NOO)	H(CCC)	C(CCHH)(CCN)(H)	C(CCHH)(CCH)(NOO)	H(CCC)	118.2760	0.000	1	118.2760	0.000	1	118.2760	0.000	1	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:O-3:C-3:	C-3:	C(CH3)(CCO)(H)	C(CCHH)(OCa2)(CCH)	H(CCC)	C(CH3)(CCO)(H)	C(CCHH)(OCa2)(CCH)	H(CCC)	118.3400	0.000	1	118.3400	0.000	1	118.3400	0.000	1	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2H)(CCH)(CHO)	H(CCC)	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2H)(CCH)(CHO)	H(CCC)	115.3290	1.786	2	115.3290	3.190	2	115.3290	3.190	2	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	P-4:C-3:C-3:	C-3:	C(CCCO)(CCP)(H)	C(PC[6a]2O)(CCH)(CCP)	H(CCC)	C(CCCO)(CCP)(H)	C(PC[6a]2O)(CCH)(CCP)	H(CCC)	113.1985	0.220	4	113.1985	0.048	4	113.1985	0.048	4	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	P-4:P-3:C-3:	C-3:	C(CC3)(CPP)(H)	C(PC[6a]CC)(PC[6a]Al)(CCH)	H(CCC)	C(CC3)(CPP)(H)	C(PC[6a]CC)(PC[6a]Al)(CCH)	H(CCC)	114.5300	0.951	3	114.5300	0.904	3	114.3003	0.814	4	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	P-4:P-3:C-3:	C-3:	C(CC3)(CPP)(H)	C(PC[6a]CH)(PC[6a]Al)(CCH)	H(CCC)	C(CC3)(CPP)(H)	C(PC[6a]CH)(PC[6a]Al)(CCH)	H(CCC)	113.6110	0.000	1	113.6110	0.000	1	114.3003	0.814	4	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C[3]-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[3]C[3]2H)(CCC)(H)	C(CC[6a]HH)(CC[6a]O)(CC[3]H)	H(CC[3]C)	C(C[3]C[3]2H)(CCC)(H)	C(CC[6a]HH)(CC[6a]O)(CC[3]H)	H(CC[3]C)	117.2040	0.000	1	117.2040	0.000	1	117.2040	0.000	1	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C[5]-4:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:	C(C[5]C[5]N[5]H)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	H(CC[5]C)	114.4513	0.044	3	114.4513	0.002	3	114.4513	0.002	3	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C[6]-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6]C[3,6]C[6]H)(CCC)(H)	C(CC[5]HH)(CC[6]H)(CHO)	H(CC[6]C)	C(C[6]C[3,6]C[6]H)(CCC)(H)	C(CC[5]HH)(CC[6]H)(CHO)	H(CC[6]C)	113.7150	0.000	1	113.7150	0.000	1	115.6300	7.334	2	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	C[6]-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C(CC[6a]C[6]H)(CC[6]H)(COO)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C(CC[6a]C[6]H)(CC[6]H)(COO)	H(CC[6]C)	117.5450	0.000	1	117.5450	0.000	1	115.6300	7.334	2	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	P-4:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(PC[6a]2Pd)(CCN)(H)	C(CC3)(CHP)(NHN)	H(CCP)	C(PC[6a]2Pd)(CCN)(H)	C(CC3)(CHP)(NHN)	H(CCP)	116.1185	0.197	2	116.1185	0.039	2	116.0332	0.036	4	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	P-4:C-3:H-1:	C-4:C-3:N-3:	C-3:	C(PC[6a]3)(CCN)(H)	C(CH3)(CHP)(NCH)	H(CCP)	C(PC[6a]3)(CCN)(H)	C(CH3)(CHP)(NCH)	H(CCP)	115.9480	0.202	2	115.9480	0.041	2	116.0332	0.036	4	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	S-4:C-3:H-1:	C-4:C-3:C-3:	C-3:	C(SC[6a]OO)(CCC)(H)	C(CH3)(CCH)(CHS)	H(CCS)	C(SC[6a]OO)(CCC)(H)	C(CH3)(CCH)(CHS)	H(CCS)	117.4415	1.624	2	117.4415	2.638	2	117.4415	2.638	2	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	Si-4:C-3:H-1:	Si-4:C-3:C-3:	C-3:	C(SiC[5]ClN)(CSiC)(H)	C(SiC3)(CSiH)(COO)	H(CSiC)	C(SiC[5]ClN)(CSiC)(H)	C(SiC3)(CSiH)(COO)	H(CSiC)	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:3:	3:	Si-4:C-3:H-1:	Si-4:C[6a]-3:C-3:	C-3:	C(SiC[3x3,4,3x5,14x6]CC)(CC[6a]Si)(H)	C(SiC[3x3,4,3x5,14x6]CC)(C[6a]C[6a]2)(CSiH)	H(CSiC)	C(SiC[3x3,4,3x5,14x6]CC)(CC[6a]Si)(H)	C(SiC[3x3,4,3x5,14x6]CC)(C[6a]C[6a]2)(CSiH)	H(CSiC)	114.8500	0.000	1	114.8500	0.000	1	114.8500	0.000	1	115.8979	2.907	154	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[3]-4:C-3:H-1:	C[6]-4:C-3:C-4:	C-3:	C(C[3]C[3]2H)(CC[6]C)(H)	C(C[6]C[6,6]C[6]H)(CC[3]H)(CCHH)	H(CC[3]C)	C(C[3]C[3]2H)(CC[6]C)(H)	C(C[6]C[6,6]C[6]H)(CC[3]H)(CCHH)	H(CC[3]C)	116.8550	0.000	1	116.8550	0.000	1	116.8550	0.000	1	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[5]-4:C-3:H-1:	C-4:C-3:C-4:	C-3:	C(C[5]C[5]N[5]C)(CCC)(H)	C(CC[6a]CH)(CC[5]H)(CH3)	H(CC[5]C)	C(C[5]C[5]N[5]C)(CCC)(H)	C(CC[6a]CH)(CC[5]H)(CH3)	H(CC[5]C)	115.0410	0.000	1	115.0410	0.000	1	116.3483	1.288	3	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[5]-4:C-3:H-1:	C-4:C-3:C-4:	C-3:	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]HH)(CC[5]H)(CH3)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CCC)(H)	C(CC[5]HH)(CC[5]H)(CH3)	H(CC[5]C)	117.0020	0.110	2	117.0020	0.012	2	116.3483	1.288	3	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[5]-4:C-3:H-1:	C[3]-4:C-3:C-4:	C-3:	C(C[5]C[5]O[5]H)(CC[3]C)(H)	C(C[3]C[3]O[3]H)(CC[5]H)(CH3)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[3]C)(H)	C(C[3]C[3]O[3]H)(CC[5]H)(CH3)	H(CC[5]C)	116.9930	0.371	2	116.9930	0.137	2	116.9930	0.137	2	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[5]-4:C-3:H-1:	C[5]-4:C-3:C-4:	C-3:	C(C[5]C[5]O[5]H)(CC[5]C)(H)	C(C[5]C[5,6]C[5]H)(CC[5]H)(CH3)	H(CC[5]C)	C(C[5]C[5]O[5]H)(CC[5]C)(H)	C(C[5]C[5,6]C[5]H)(CC[5]H)(CH3)	H(CC[5]C)	116.0610	0.000	1	116.0610	0.000	1	116.0610	0.000	1	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[5]-4:C-3:H-1:	C[6]-4:C-3:C-4:	C-3:	C(C[5]C[5]N[5]H)(CC[6]C)(H)	C(C[6]C[6]O[6]H)(CC[5]H)(CH3)	H(CC[5]C)	C(C[5]C[5]N[5]H)(CC[6]C)(H)	C(C[6]C[6]O[6]H)(CC[5]H)(CH3)	H(CC[5]C)	115.6910	0.000	1	115.6910	0.000	1	115.6910	0.000	1	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[6]-4:C-3:H-1:	C-4:C-3:C-4:	C-3:	C(C[6]C[3,6]C[6]H)(CCC)(H)	C(CC[5]HH)(CC[6]H)(CH3)	H(CC[6]C)	C(C[6]C[3,6]C[6]H)(CCC)(H)	C(CC[5]HH)(CC[6]H)(CH3)	H(CC[6]C)	118.1380	0.000	1	118.1380	0.000	1	115.9777	3.344	7	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[6]-4:C-3:H-1:	C-4:C-3:C-4:	C-3:	C(C[6]C[3,6]C[6]H)(CCC)(H)	C(CC[5]HH)(CC[6]H)(CHHO)	H(CC[6]C)	C(C[6]C[3,6]C[6]H)(CCC)(H)	C(CC[5]HH)(CC[6]H)(CHHO)	H(CC[6]C)	114.0720	0.000	1	114.0720	0.000	1	115.9777	3.344	7	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[6]-4:C-3:H-1:	C-4:C-3:C-4:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C(CC[5]HH)(CC[6]H)(CH3)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C(CC[5]HH)(CC[6]H)(CH3)	H(CC[6]C)	115.6813	2.017	3	115.6813	4.067	3	115.9777	3.344	7	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[6]-4:C-3:H-1:	C-4:C-3:C-4:	C-3:	C(C[6]C[6]2N)(CCC)(H)	C(CC[6]CC)(CC[6]H)(CH3)	H(CC[6]C)	C(C[6]C[6]2N)(CCC)(H)	C(CC[6]CC)(CC[6]H)(CH3)	H(CC[6]C)	115.0370	0.000	1	115.0370	0.000	1	115.9777	3.344	7	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[6]-4:C-3:H-1:	C-4:C-3:C-4:	C-3:	C(C[6]C[6]O[6]H)(CCC)(H)	C(CC[5]HH)(CC[6]H)(CH3)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCC)(H)	C(CC[5]HH)(CC[6]H)(CH3)	H(CC[6]C)	117.5530	0.000	1	117.5530	0.000	1	115.9777	3.344	7	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	C[6]-4:C-3:H-1:	P[4]-4:C-3:C-4:	C-3:	C(C[6]C[6]2Ru)(CP[4]C)(H)	C(P[4]C[4,6a]C[4]Ru)(CC[6]H)(CH3)	H(CC[6]C)	C(C[6]C[6]2Ru)(CP[4]C)(H)	C(P[4]C[4,6a]C[4]Ru)(CC[6]H)(CH3)	H(CC[6]C)	119.9450	0.000	1	119.9450	0.000	1	119.9450	0.000	1	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	P[5]-4:C-3:H-1:	As-4:C-3:C-4:	C-3:	C(P[5]C[5,6a]2Mo)(CAsC)(H)	C(AsC[6a]2Mo)(CP[5]H)(CH3)	H(CP[5]C)	C(P[5]C[5,6a]2Mo)(CAsC)(H)	C(AsC[6a]2Mo)(CP[5]H)(CH3)	H(CP[5]C)	118.0770	0.000	1	118.0770	0.000	1	118.0770	0.000	1	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	Si-4:C-3:H-1:	C-4:C-3:C-4:	C-3:	C(SiIrCC)(CCC)(H)	C(CIrHH)(CSiH)(CH3)	H(CSiC)	C(SiIrCC)(CCC)(H)	C(CIrHH)(CSiH)(CH3)	H(CSiC)	121.8950	0.000	1	121.8950	0.000	1	121.8950	0.000	1	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:3:4:	3:	Si-4:C-3:H-1:	Si-4:C-3:C-4:	C-3:	C(SiC[5]CC)(CSiC)(H)	C(SiC3)(CSiH)(CH3)	H(CSiC)	C(SiC[5]CC)(CSiC)(H)	C(SiC3)(CSiH)(CH3)	H(CSiC)	112.7990	0.000	1	112.7990	0.000	1	112.7990	0.000	1	116.6420	4.610	19	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	B-4:C-3:H-1:	C-4:P-4:C-3:	C-3:	C(BC[6a]2C)(CCP)(H)	C(CC[5]HH)(PC3)(CBH)	H(CBC)	C(BC[6a]2C)(CCP)(H)	C(CC[5]HH)(PC3)(CBH)	H(CBC)	110.4620	0.000	1	110.4620	0.000	1	110.8870	0.361	2	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	B-4:C-3:H-1:	C-4:P-4:C-3:	C-3:	C(BC[6a]2C)(CCP)(H)	C(CC[5]HH)(PC[6a]3)(CBH)	H(CBC)	C(BC[6a]2C)(CCP)(H)	C(CC[5]HH)(PC[6a]3)(CBH)	H(CBC)	111.3120	0.000	1	111.3120	0.000	1	110.8870	0.361	2	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	B-4:C-3:H-1:	N-4:C-4:C-3:	C-3:	C(BC[6a]3)(CCN)(H)	C(NC[6a]CC)(CCHH)(CBH)	H(CBC)	C(BC[6a]3)(CCN)(H)	C(NC[6a]CC)(CCHH)(CBH)	H(CBC)	114.7520	0.000	1	114.7520	0.000	1	114.7520	0.000	1	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	B-4:C-3:H-1:	N[6]-4:C-4:C-3:	C-3:	C(BC[6a]2C)(CN[6]C)(H)	C(N[6]C[6]2H)(CCHH)(CBH)	H(CBC)	C(BC[6a]2C)(CN[6]C)(H)	C(N[6]C[6]2H)(CCHH)(CBH)	H(CBC)	111.7660	0.000	1	111.7660	0.000	1	113.2275	2.413	4	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	B-4:C-3:H-1:	N[6]-4:C-4:C-3:	C-3:	C(BC[6a]2H)(CN[6]C)(H)	C(N[6]C[6]2H)(CCHH)(CBH)	H(CBC)	C(BC[6a]2H)(CN[6]C)(H)	C(N[6]C[6]2H)(CCHH)(CBH)	H(CBC)	115.3900	0.000	1	115.3900	0.000	1	113.2275	2.413	4	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	B-4:C-3:H-1:	N[6]-4:C-4:C-3:	C-3:	C(BC[6a]2O)(CN[6]C)(H)	C(N[6]C[6]2H)(CCHH)(CBH)	H(CBC)	C(BC[6a]2O)(CN[6]C)(H)	C(N[6]C[6]2H)(CCHH)(CBH)	H(CBC)	112.8770	0.424	2	112.8770	0.180	2	113.2275	2.413	4	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	B-4:C-3:H-1:	P-4:C-4:C-3:	C-3:	C(BC[6a]2C)(CCP)(H)	C(PC[6a]3)(CCHH)(CBH)	H(CBC)	C(BC[6a]2C)(CCP)(H)	C(PC[6a]3)(CCHH)(CBH)	H(CBC)	111.5500	0.000	1	111.5500	0.000	1	111.2620	0.166	2	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	B-4:C-3:H-1:	P-4:C-4:C-3:	C-3:	C(BC[6a]3)(CCP)(H)	C(PC[6a]3)(CCHH)(CBH)	H(CBC)	C(BC[6a]3)(CCP)(H)	C(PC[6a]3)(CCHH)(CBH)	H(CBC)	110.9740	0.000	1	110.9740	0.000	1	111.2620	0.166	2	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	B-4:P-4:C-3:	C-3:	C(CC3)(CBP)(H)	C(BC[6a]2F)(PC[6a]HH)(CCH)	H(CCC)	C(CC3)(CBP)(H)	C(BC[6a]2F)(PC[6a]HH)(CCH)	H(CCC)	109.9980	0.000	1	109.9980	0.000	1	110.1420	0.041	2	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	B-4:P-4:C-3:	C-3:	C(CC3)(CBP)(H)	C(BC[6a]2H)(PC[6a]HH)(CCH)	H(CCC)	C(CC3)(CBP)(H)	C(BC[6a]2H)(PC[6a]HH)(CCH)	H(CCC)	110.2860	0.000	1	110.2860	0.000	1	110.1420	0.041	2	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CBHH)(CCC)(H)	C(CHHP)(CH3)(CCH)	H(CCC)	C(CBHH)(CCC)(H)	C(CHHP)(CH3)(CCH)	H(CCC)	116.3960	0.000	1	116.3960	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CB[5]CH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CB[5]CH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	115.9435	0.021	2	115.9435	0.000	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC3)(CCC)(H)	C(CCo2C)(CH3)(CCH)	H(CCC)	C(CC3)(CCC)(H)	C(CCo2C)(CH3)(CCH)	H(CCC)	114.4720	0.000	1	114.4720	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC3)(CCC)(H)	C(CMoCH)(CCHH)(CCH)	H(CCC)	C(CC3)(CCC)(H)	C(CMoCH)(CCHH)(CCH)	H(CCC)	118.6970	0.000	1	118.6970	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCCH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CCCH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	115.7786	0.600	10	115.7786	0.360	10	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCCH)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	C(CCCH)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	116.0768	0.726	8	116.0768	0.527	8	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCCH)(CCC)(H)	C(CC[6a]HN)(CH3)(CCH)	H(CCC)	C(CCCH)(CCC)(H)	C(CC[6a]HN)(CH3)(CCH)	H(CCC)	118.1010	0.000	1	118.1010	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCCH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CCCH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.7293	0.732	3	116.7293	0.535	3	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCCO)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CCCO)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	115.3170	0.000	1	115.3170	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CBrHH)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CBrHH)(CH3)(CCH)	H(CCC)	116.9705	0.095	2	116.9705	0.009	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC3)2(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC3)2(CCH)	H(CCC)	113.3990	0.000	1	113.3990	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCCH)(CCHH)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CCCH)(CCHH)(CCH)	H(CCC)	118.7810	0.000	1	118.7810	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCCH)(CCHO)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CCCH)(CCHO)(CCH)	H(CCC)	116.8070	0.000	1	116.8070	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCCH)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CCCH)(CH3)(CCH)	H(CCC)	117.3490	1.153	3	117.3490	1.329	3	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHH)(CC3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CCHH)(CC3)(CCH)	H(CCC)	117.3050	0.000	1	117.3050	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHH)(CF3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CCHH)(CF3)(CCH)	H(CCC)	116.2210	0.000	1	116.2210	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	116.2178	0.838	87	116.2178	0.703	87	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHH)(CHHO)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CCHH)(CHHO)(CCH)	H(CCC)	116.2084	0.550	7	116.2084	0.303	7	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHH)2(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CCHH)2(CCH)	H(CCC)	115.6250	0.000	1	115.6250	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	116.1946	0.560	18	116.1946	0.314	18	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	115.8707	0.420	9	115.8707	0.176	9	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[5a]HH)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[5a]HH)(CH3)(CCH)	H(CCC)	116.4070	0.000	1	116.4070	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[6]HH)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[6]HH)(CH3)(CCH)	H(CCC)	116.6561	0.977	7	116.6561	0.954	7	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[6]HO)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[6]HO)(CH3)(CCH)	H(CCC)	116.5380	0.000	1	116.5380	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CC[6a]HH)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CC[6a]HH)(CH3)(CCH)	H(CCC)	115.7107	1.043	4	115.7107	1.088	4	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.1382	0.704	90	116.1382	0.495	90	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CHHN)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CHHN)(CH3)(CCH)	H(CCC)	116.3445	0.120	2	116.3445	0.014	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHH)(CCC)(H)	C(CHHO)(CH3)(CCH)	H(CCC)	C(CCHH)(CCC)(H)	C(CHHO)(CH3)(CCH)	H(CCC)	118.8540	5.971	4	118.8540	35.647	4	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHO)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CCHO)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	116.5750	0.779	4	116.5750	0.607	4	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHO)(CCC)(H)	C(CC[5,5,6]HH)(CH3)(CCH)	H(CCC)	C(CCHO)(CCC)(H)	C(CC[5,5,6]HH)(CH3)(CCH)	H(CCC)	116.9065	0.977	2	116.9065	0.954	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHO)(CCC)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	C(CCHO)(CCC)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	117.7490	0.000	1	117.7490	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHO)(CCC)(H)	C(CC[5a]HH)(CH3)(CCH)	H(CCC)	C(CCHO)(CCC)(H)	C(CC[5a]HH)(CH3)(CCH)	H(CCC)	118.1050	0.000	1	118.1050	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CCHO)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CCHO)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.1695	0.171	4	116.1695	0.029	4	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[3,6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[3,6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	114.1790	2.365	2	114.1790	5.591	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[3]CH)(CCC)(H)	C(CC[5,5]HO)(CHHS)(CCH)	H(CCC)	C(CC[3]CH)(CCC)(H)	C(CC[5,5]HO)(CHHS)(CCH)	H(CCC)	120.0070	0.000	1	120.0070	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[3]CH)(CCC)(H)	C(CC[5]HO)(CH3)(CCH)	H(CCC)	C(CC[3]CH)(CCC)(H)	C(CC[5]HO)(CH3)(CCH)	H(CCC)	120.5255	0.095	2	120.5255	0.009	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[3]HH)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	C(CC[3]HH)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	116.7680	0.000	1	116.7680	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[3x6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[3x6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.7434	0.382	12	116.7434	0.146	12	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[4]HN)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[4]HN)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.4720	0.000	1	116.4720	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5,5,6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[5,5,6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.6230	0.000	1	116.6230	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5,5]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[5,5]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.0070	0.000	1	116.0070	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5,6,6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[5,6,6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.5667	0.410	8	116.5667	0.168	8	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5,6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[5,6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.3963	0.263	3	116.3963	0.069	3	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5]HH)(CCC)(H)	C(CCCH)(CCHH)(CCH)	H(CCC)	C(CC[5]HH)(CCC)(H)	C(CCCH)(CCHH)(CCH)	H(CCC)	117.1150	0.000	1	117.1150	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5]HH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CC[5]HH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	115.4424	0.456	7	115.4424	0.208	7	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5]HH)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	C(CC[5]HH)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	116.2540	0.000	1	116.2540	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5]HH)(CCC)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	C(CC[5]HH)(CCC)(H)	C(CC[5]HH)(CH3)(CCH)	H(CCC)	114.6977	2.399	3	114.6977	5.757	3	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[5]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.1702	0.505	9	116.1702	0.255	9	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5]HO)(CCC)(H)	C(CCCH)(CCHH)(CCH)	H(CCC)	C(CC[5]HO)(CCC)(H)	C(CCCH)(CCHH)(CCH)	H(CCC)	114.5920	0.246	3	114.5920	0.060	3	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5a]CH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[5a]CH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.2115	0.220	2	116.2115	0.048	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[5a]C[6a]H)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CC[5a]C[6a]H)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	113.8400	0.127	2	113.8400	0.016	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6,6]HH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CC[6,6]HH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	116.3360	0.000	1	116.3360	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6,6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[6,6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.5340	0.857	24	116.5340	0.735	24	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6]HH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CC[6]HH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	116.8253	2.245	7	116.8253	5.040	7	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.2425	0.583	61	116.2425	0.339	61	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6]HO)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CC[6]HO)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	117.5740	2.908	4	117.5740	8.454	4	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6a]CH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[6a]CH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.7890	0.000	1	116.7890	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6a]HH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CC[6a]HH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	116.3074	0.328	5	116.3074	0.107	5	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6a]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[6a]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.3099	0.691	58	116.3099	0.478	58	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6a]HH)(CCC)(H)	C(CHHO)2(CCH)	H(CCC)	C(CC[6a]HH)(CCC)(H)	C(CHHO)2(CCH)	H(CCC)	116.0530	0.376	2	116.0530	0.142	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6a]HH)(CCC)(H)	C(CHHS)(CH3)(CCH)	H(CCC)	C(CC[6a]HH)(CCC)(H)	C(CHHS)(CH3)(CCH)	H(CCC)	117.0790	0.000	1	117.0790	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CC[6a]HN)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CC[6a]HN)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.9495	0.846	8	116.9495	0.715	8	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CH3)(CCC)(H)	C(CCCH)(CH3)(CCH)	H(CCC)	C(CH3)(CCC)(H)	C(CCCH)(CH3)(CCH)	H(CCC)	116.3190	0.000	1	116.3190	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CH3)(CCC)(H)	C(CCCO)(CH3)(CCH)	H(CCC)	C(CH3)(CCC)(H)	C(CCCO)(CH3)(CCH)	H(CCC)	116.8230	0.000	2	116.8230	0.000	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CH3)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CH3)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	119.9160	0.000	1	119.9160	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CH3)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	C(CH3)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	116.4640	0.000	1	116.4640	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CH3)(CCC)(H)	C(CC[6a]HN)(CH3)(CCH)	H(CCC)	C(CH3)(CCC)(H)	C(CC[6a]HN)(CH3)(CCH)	H(CCC)	117.1645	1.063	2	117.1645	1.130	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CHHN)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CHHN)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	115.6613	0.428	3	115.6613	0.183	3	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CHHN)(CCC)(H)	C(CC[5a]HH)(CH3)(CCH)	H(CCC)	C(CHHN)(CCC)(H)	C(CC[5a]HH)(CH3)(CCH)	H(CCC)	115.9125	2.780	2	115.9125	7.726	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CHHN)(CCC)(H)	C(CC[6]HH)(CH3)(CCH)	H(CCC)	C(CHHN)(CCC)(H)	C(CC[6]HH)(CH3)(CCH)	H(CCC)	114.8590	0.000	1	114.8590	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CHHN)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CHHN)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.5576	0.391	7	116.5576	0.153	7	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CHHO)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CHHO)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	117.3500	0.979	2	117.3500	0.958	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CHHO)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	C(CHHO)(CCC)(H)	C(CCHO)(CH3)(CCH)	H(CCC)	116.4480	0.000	1	116.4480	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CHHO)(CCC)(H)	C(CC[5]HO)(CHHO)(CCH)	H(CCC)	C(CHHO)(CCC)(H)	C(CC[5]HO)(CHHO)(CCH)	H(CCC)	115.8570	0.000	1	115.8570	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CHHO)(CCC)(H)	C(CC[6]HO)(CH3)(CCH)	H(CCC)	C(CHHO)(CCC)(H)	C(CC[6]HO)(CH3)(CCH)	H(CCC)	116.7770	0.000	1	116.7770	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CHHO)(CCC)(H)	C(CC[6a]HH)(CHHO)(CCH)	H(CCC)	C(CHHO)(CCC)(H)	C(CC[6a]HH)(CHHO)(CCH)	H(CCC)	116.9590	0.000	1	116.9590	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CHHO)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CHHO)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.8772	1.028	12	116.8772	1.057	12	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CN[5]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CN[5]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	117.1553	0.717	3	117.1553	0.514	3	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CN[5a]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CN[5a]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.4530	1.059	2	116.4530	1.122	2	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CN[5a]HO)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CN[5a]HO)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	117.0610	0.000	1	117.0610	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CN[6]HH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	C(CN[6]HH)(CCC)(H)	C(CCHH)(CH3)(CCH)	H(CCC)	116.1030	0.000	1	116.1030	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CN[6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CN[6]HH)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	117.5493	1.107	3	117.5493	1.224	3	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(CSiHO)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	C(CSiHO)(CCC)(H)	C(CH3)2(CCH)	H(CCC)	116.1610	0.000	1	116.1610	0.000	1	116.3377	1.141	562	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:S-4:C-3:	C-3:	C(CCHO)(CCS)(H)	C(CN[5a]CH)(SC[6a]OO)(CCH)	H(CCC)	C(CCHO)(CCS)(H)	C(CN[5a]CH)(SC[6a]OO)(CCH)	H(CCC)	114.9610	0.000	1	114.9610	0.000	1	114.9610	0.000	1	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:Si-4:C-3:	C-3:	C(CCCH)(CSiC)(H)	C(CCHH)(SiC3)(CCH)	H(CCC)	C(CCCH)(CSiC)(H)	C(CCHH)(SiC3)(CCH)	H(CCC)	115.2150	0.000	1	115.2150	0.000	1	119.0530	14.811	4	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:Si-4:C-3:	C-3:	C(CCCH)(CSiC)(H)	C(CC[6a]HN)(SiC3)(CCH)	H(CCC)	C(CCCH)(CSiC)(H)	C(CC[6a]HN)(SiC3)(CCH)	H(CCC)	116.2670	0.000	1	116.2670	0.000	1	119.0530	14.811	4	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:Si-4:C-3:	C-3:	C(CRhCH)(CSiC)(H)	C(CRhCH)(SiC3)(CCH)	H(CCC)	C(CRhCH)(CSiC)(H)	C(CRhCH)(SiC3)(CCH)	H(CCC)	122.3650	0.033	2	122.3650	0.001	2	119.0530	14.811	4	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2H)(CH3)(CCH)	H(CCC)	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2H)(CH3)(CCH)	H(CCC)	116.6440	0.219	2	116.6440	0.048	2	115.5337	1.519	6	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2H)(CHHO)(CCH)	H(CCC)	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]2H)(CHHO)(CCH)	H(CCC)	113.4370	0.000	1	113.4370	0.000	1	115.5337	1.519	6	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)	H(CCC)	C(CC[5]HH)(CC[5]C)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)	H(CCC)	116.0180	0.000	1	116.0180	0.000	1	115.5337	1.519	6	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C[5]-4:C-4:C-3:	C-3:	C(CC[5]HN)(CC[5]C)(H)	C(C[5]C[5]2Fe)(CH3)(CCH)	H(CCC)	C(CC[5]HN)(CC[5]C)(H)	C(C[5]C[5]2Fe)(CH3)(CCH)	H(CCC)	115.2295	0.514	2	115.2295	0.264	2	115.5337	1.519	6	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(CC[5]HH)(CC[5]2)(H)	C(C[5]C[5]2Fe)2(CCH)	H(CCC)	C(CC[5]HH)(CC[5]2)(H)	C(C[5]C[5]2Fe)2(CCH)	H(CCC)	118.4510	0.000	1	118.4510	0.000	1	118.4510	0.000	1	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C[6]-4:C-4:C-3:	C-3:	C(CC[6]HH)(CC[6]C)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)	H(CCC)	C(CC[6]HH)(CC[6]C)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)	H(CCC)	114.5500	0.000	1	114.5500	0.000	1	114.5500	0.000	1	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	N-4:C-4:C-3:	C-3:	C(CCCN)(CCN)(H)	C(NNiCH)(CH3)(CCH)	H(CCC)	C(CCCN)(CCN)(H)	C(NNiCH)(CH3)(CCH)	H(CCC)	122.1070	0.000	1	122.1070	0.000	1	120.0865	8.165	2	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	N-4:C-4:C-3:	C-3:	C(CCHH)(CCN)(H)	C(NLi2H)(CC3)(CCH)	H(CCC)	C(CCHH)(CCN)(H)	C(NLi2H)(CC3)(CCH)	H(CCC)	118.0660	0.000	1	118.0660	0.000	1	120.0865	8.165	2	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	P-4:C-4:C-3:	C-3:	C(CCHH)(CCP)(H)	C(PC[6a]2S)(CCHH)(CCH)	H(CCC)	C(CCHH)(CCP)(H)	C(PC[6a]2S)(CCHH)(CCH)	H(CCC)	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	S-4:C-4:C-3:	C-3:	C(CCHH)(CCS)(H)	C(SC[6a]OO)(CCCH)(CCH)	H(CCC)	C(CCHH)(CCS)(H)	C(SC[6a]OO)(CCCH)(CCH)	H(CCC)	117.0770	0.273	9	117.0770	0.075	9	116.9864	0.178	17	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	S-4:C-4:C-3:	C-3:	C(CCHO)(CCS)(H)	C(SC[6a]OO)(CCCH)(CCH)	H(CCC)	C(CCHO)(CCS)(H)	C(SC[6a]OO)(CCCH)(CCH)	H(CCC)	116.8933	0.591	7	116.8933	0.349	7	116.9864	0.178	17	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	S-4:C-4:C-3:	C-3:	C(CCHO)(CCS)(H)	C(SC[6a]OO)(CCHH)(CCH)	H(CCC)	C(CCHO)(CCS)(H)	C(SC[6a]OO)(CCHH)(CCH)	H(CCC)	116.8230	0.000	1	116.8230	0.000	1	116.9864	0.178	17	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	S-4:Si-4:C-3:	C-3:	C(CCCH)(CSiS)(H)	C(SC[6a]NO)(SiC3)(CCH)	H(CCC)	C(CCCH)(CSiS)(H)	C(SC[6a]NO)(SiC3)(CCH)	H(CCC)	116.5510	0.245	2	116.5510	0.060	2	116.5510	0.060	2	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	Si-4:C-4:C-3:	C-3:	C(CCHH)(CSiC)(H)	C(SiC[6a]CC)(CH3)(CCH)	H(CCC)	C(CCHH)(CSiC)(H)	C(SiC[6a]CC)(CH3)(CCH)	H(CCC)	116.6670	0.085	2	116.6670	0.007	2	116.3493	0.306	3	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	Si-4:C-4:C-3:	C-3:	C(CC[6a]SiH)(CSiC)(H)	C(SiC[6a]CC)(CCHH)(CCH)	H(CCC)	C(CC[6a]SiH)(CSiC)(H)	C(SiC[6a]CC)(CCHH)(CCH)	H(CCC)	115.7140	0.000	1	115.7140	0.000	1	116.3493	0.306	3	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	Si-4:Si-4:C-3:	C-3:	C(CC[6]HO)(CSi2)(H)	C(SiC3)2(CCH)	H(CCC)	C(CC[6]HO)(CSi2)(H)	C(SiC3)2(CCH)	H(CCC)	115.0640	0.000	1	115.0640	0.000	1	115.0640	0.000	1	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	P-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(PO3)(CCC)(H)	C(CC[5]HH)(CH3)(CHP)	H(CCP)	C(PO3)(CCC)(H)	C(CC[5]HH)(CH3)(CHP)	H(CCP)	117.6020	0.000	1	117.6020	0.000	1	117.6020	0.000	1	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	P-4:C-3:H-1:	P-4:C-4:C-3:	C-3:	C(PC[6a]2Cr)(CCP)(H)	C(PC[6a]2Cr)(CC3)(CHP)	H(CCP)	C(PC[6a]2Cr)(CCP)(H)	C(PC[6a]2Cr)(CC3)(CHP)	H(CCP)	118.6500	0.156	2	118.6500	0.024	2	119.3650	0.690	4	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	P-4:C-3:H-1:	P-4:C-4:C-3:	C-3:	C(PC[6a]2Ni)(CCP)(H)	C(PC[6a]2Ni)(CC3)(CHP)	H(CCP)	C(PC[6a]2Ni)(CCP)(H)	C(PC[6a]2Ni)(CC3)(CHP)	H(CCP)	120.0500	0.000	1	120.0500	0.000	1	119.3650	0.690	4	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	P-4:C-3:H-1:	P-4:C-4:C-3:	C-3:	C(PC[6a]RuC)(CCP)(H)	C(PC[6a]2Ru)(CH3)(CHP)	H(CCP)	C(PC[6a]RuC)(CCP)(H)	C(PC[6a]2Ru)(CH3)(CHP)	H(CCP)	120.1100	0.000	1	120.1100	0.000	1	119.3650	0.690	4	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	S-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(SC[6a]NO)(CCC)(H)	C(CCCH)(CCHH)(CHS)	H(CCS)	C(SC[6a]NO)(CCC)(H)	C(CCCH)(CCHH)(CHS)	H(CCS)	117.4705	0.677	2	117.4705	0.458	2	117.0103	0.864	3	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	4:4:3:	3:	S-4:C-3:H-1:	C-4:C-4:C-3:	C-3:	C(SC[6a]NO)(CCC)(H)	C(CCCH)(CH3)(CHS)	H(CCS)	C(SC[6a]NO)(CCC)(H)	C(CCCH)(CH3)(CHS)	H(CCS)	116.0900	0.000	1	116.0900	0.000	1	117.0103	0.864	3	116.3230	1.719	620	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	4:3:1:	5:3:1:	3:	C-4:C-3:H-1:	C-5:C-3:H-1:	C-3:	C(CH3)(CCH)(H)	C(CHo2OO)(CCH)(H)	H(CCC)	C(CH3)(CCH)(H)	C(CHo2OO)(CCH)(H)	H(CCC)	117.7735	0.330	2	117.7735	0.109	2	117.7735	0.109	2	117.7735	0.109	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	5:3:1:	3:1:1:	3:	Ge[3,4,4,5,5,4x6]-5:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]2)(CHH)(H)	C(CGe[3,4,4,5,5,4x6]H)(H)2	H(CGe[3,4,4,5,5,4x6]C)	C(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]2)(CHH)(H)	C(CGe[3,4,4,5,5,4x6]H)(H)2	H(CGe[3,4,4,5,5,4x6]C)	118.1355	0.450	2	118.1355	0.203	2	118.1355	0.203	2	117.9636	2.315	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	5:3:1:	3:1:1:	3:	P-5:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(PHoO3)(CHH)(H)	C(CHP)(H)2	H(CCP)	C(PHoO3)(CHH)(H)	C(CHP)(H)2	H(CCP)	120.2290	0.000	1	120.2290	0.000	1	120.2290	0.000	1	117.9636	2.315	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	5:3:1:	3:1:1:	3:	Si-5:C-3:H-1:	C-3:H-1:H-1:	C-3:	C(SiC[5]2ZrC)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	C(SiC[5]2ZrC)(CHH)(H)	C(CSiH)(H)2	H(CSiC)	116.6590	0.680	2	116.6590	0.463	2	116.6590	0.463	2	117.9636	2.315	5	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	5:3:1:	3:3:1:	3:	P-5:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:	C(PC[5]C[6]Fe2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	H(CCP)	C(PC[5]C[6]Fe2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	H(CCP)	117.1650	0.000	1	117.1650	0.000	1	117.1650	0.000	1	117.1650	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	5:3:1:	3:3:2:	3:	C[3x3,4,3x5,14x6]-5:C-3:H-1:	C-3:C[6a]-3:O-2:	C-3:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]O)(H)	C(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(ON[6])	H(CC[3x3,4,3x5,14x6]C)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]O)(H)	C(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(ON[6])	H(CC[3x3,4,3x5,14x6]C)	115.3530	0.000	1	115.3530	0.000	1	115.3530	0.000	1	115.3530	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	5:3:1:	3:4:1:	3:	C[3x3,4,3x5,14x6]-5:C-3:H-1:	C-3:C-4:H-1:	C-3:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(H)	C(CC[3x3,4,3x5,14x6]H)(CH3)(H)	H(CC[3x3,4,3x5,14x6]C)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(H)	C(CC[3x3,4,3x5,14x6]H)(CH3)(H)	H(CC[3x3,4,3x5,14x6]C)	118.4600	0.000	1	118.4600	0.000	1	118.4600	0.000	1	118.4600	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	5:3:1:	3:4:3:	3:	P-5:C-3:H-1:	N-3:C-4:C-3:	C-3:	C(PC[6a]2LiO)(CCN)(H)	C(NLiH)(CC3)(CHP)	H(CCP)	C(PC[6a]2LiO)(CCN)(H)	C(NLiH)(CC3)(CHP)	H(CCP)	120.1500	0.000	1	120.1500	0.000	1	120.1500	0.000	1	120.1500	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	5:3:1:	4:3:1:	3:	C-5:C-3:H-1:	C-4:C-3:H-1:	C-3:	C(CHo2OO)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	C(CHo2OO)(CCH)(H)	C(CH3)(CCH)(H)	H(CCC)	118.7060	0.602	2	118.7060	0.363	2	118.7060	0.363	2	118.7060	0.363	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	3:3:1:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	H(CB[5x3,5x5,20x6]C)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	H(CB[5x3,5x5,20x6]C)	117.3969	1.071	7	117.3969	1.148	7	115.4756	4.809	14	115.6985	3.986	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	3:3:1:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	C(CB[5x3,5x5,20x6]H)(COO)(H)	H(CB[5x3,5x5,20x6]C)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	C(CB[5x3,5x5,20x6]H)(COO)(H)	H(CB[5x3,5x5,20x6]C)	113.6960	0.788	6	113.6960	0.621	6	115.4756	4.809	14	115.6985	3.986	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	3:3:1:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(CCH)(H)	C(CB[5x3,5x5,20x6]H)(COO)(H)	H(CB[5x3,5x5,20x6]C)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(CCH)(H)	C(CB[5x3,5x5,20x6]H)(COO)(H)	H(CB[5x3,5x5,20x6]C)	112.7040	0.000	1	112.7040	0.000	1	115.4756	4.809	14	115.6985	3.986	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	3:3:1:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C[6a]-3:H-1:	C-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	C(CB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(H)	H(CB[5x3,5x5,20x6]C)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	C(CB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(H)	H(CB[5x3,5x5,20x6]C)	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	115.6985	3.986	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	3:3:1:	3:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CC[5x3,5x5,20x6]H)(CCC)(H)	H(CC[5x3,5x5,20x6]C)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CC[5x3,5x5,20x6]H)(CCC)(H)	H(CC[5x3,5x5,20x6]C)	115.0870	0.000	1	115.0870	0.000	1	114.7040	0.131	4	115.6985	3.986	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	3:3:1:	3:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CC[5x3,5x5,20x6]H)(CCH)(H)	H(CC[5x3,5x5,20x6]C)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CC[5x3,5x5,20x6]H)(CCH)(H)	H(CC[5x3,5x5,20x6]C)	114.3610	0.000	1	114.3610	0.000	1	114.7040	0.131	4	115.6985	3.986	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	3:3:1:	3:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C-3:H-1:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	H(CC[5x3,5x5,20x6]C)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	H(CC[5x3,5x5,20x6]C)	114.6840	0.356	2	114.6840	0.127	2	114.7040	0.131	4	115.6985	3.986	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	3:3:1:	3:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C[6a]-3:H-1:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	C(CC[5x3,5x5,20x6]H)(C[6a]C[6a,6a]2)(H)	H(CC[5x3,5x5,20x6]C)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	C(CC[5x3,5x5,20x6]H)(C[6a]C[6a,6a]2)(H)	H(CC[5x3,5x5,20x6]C)	117.5210	1.379	2	117.5210	1.901	2	117.5210	1.901	2	115.6985	3.986	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	3:3:1:	3:	S-6:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:	C(SC[6a]F4)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CHS)(Cl)	H(CCS)	C(SC[6a]F4)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CHS)(Cl)	H(CCS)	116.5230	0.000	1	116.5230	0.000	1	116.5230	0.000	1	115.6985	3.986	22	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	3:4:1:	3:	B[4x3,5,4x6]-6:C-3:H-1:	C-3:Si-4:H-1:	C-3:	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CSiH)(H)	C(CB[4x3,5,4x6]H)(SiC3)(H)	H(CB[4x3,5,4x6]C)	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CSiH)(H)	C(CB[4x3,5,4x6]H)(SiC3)(H)	H(CB[4x3,5,4x6]C)	117.1730	0.000	2	117.1730	0.000	2	117.1730	0.000	2	117.1730	0.000	2	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	3:4:3:	3:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C-4:C-3:	C-3:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCC)(H)	C(CC[5x3,5x5,20x6]H)(CH3)(CCH)	H(CC[5x3,5x5,20x6]C)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCC)(H)	C(CC[5x3,5x5,20x6]H)(CH3)(CCH)	H(CC[5x3,5x5,20x6]C)	114.3270	0.000	1	114.3270	0.000	1	114.3270	0.000	1	114.3270	0.000	1	117.5191	5.912	44542	117.5191	5.912	44542
930	930	951	0:SP2_SP-NON_SP2	C	C	H	6:3:1:	6:3:1:	3:	B[3x3,3x5,12x6]-6:C-3:H-1:	B[3x3,3x5,12x6]-6:C-3:H-1:	C-3:	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CB[3x3,3x5,12x6]H)(H)	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CB[3x3,3x5,12x6]H)(H)	H(CB[3x3,3x5,12x6]C)	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CB[3x3,3x5,12x6]H)(H)	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CB[3x3,3x5,12x6]H)(H)	H(CB[3x3,3x5,12x6]C)	121.1945	0.050	2	121.1945	0.003	2	121.1945	0.003	2	121.1945	0.003	2	117.5191	5.912	44542	117.5191	5.912	44542