956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	2:3:1:	3:3:	N-2:C-3:H-1:	O-2:N-3:O-1:	C[5]-3:N-3:	N(NC[5])(COO)(H)	C(OC[6a])(NHN)(O)	N(C[5]C[5,6a]2)(NCH)	N(NC[5])(COO)(H)	C(OC[6a])(NHN)(O)	N(C[5]C[5,6a]2)(NCH)	121.2490	0.000	1	121.2490	0.000	1	121.2490	0.000	1	121.2490	0.000	1	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:2:1:	3:3:	N-2:C-3:H-1:	N-3:N-2:O-1:	C[6]-3:N-3:	N(NC[6])(CNO)(H)	C(NHN)(NH)(O)	N(C[6]C[6]2)(NCH)	N(NC[6])(CNO)(H)	C(NHN)(NH)(O)	N(C[6]C[6]2)(NCH)	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	119.1598	1.982	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:2:1:	3:3:	N-2:C-3:H-1:	N-3:O-2:O-1:	C[5]-3:N-3:	N(NC[5])(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5,6a]C[5])(NCH)	N(NC[5])(COO)(H)	C(NHN)(OC)(O)	N(C[5]C[5,6a]C[5])(NCH)	116.9080	0.000	1	116.9080	0.000	1	116.9080	0.000	1	119.1598	1.982	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:2:1:	3:3:	N-2:C-3:H-1:	N-3:O-2:O-1:	C[6,6]-3:N-3:	N(NC[6,6])(COO)(H)	C(NHN)(OC)(O)	N(C[6,6]C[6,6]2)(NCH)	N(NC[6,6])(COO)(H)	C(NHN)(OC)(O)	N(C[6,6]C[6,6]2)(NCH)	119.8000	0.000	1	119.8000	0.000	1	119.8000	0.000	1	119.1598	1.982	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:2:1:	3:3:	N-2:C-3:H-1:	N-3:O-2:O-1:	C[6]-3:N-3:	N(NC[6])(COO)(H)	C(NHN)(OC)(O)	N(C[6]C[6]2)(NCH)	N(NC[6])(COO)(H)	C(NHN)(OC)(O)	N(C[6]C[6]2)(NCH)	118.4020	0.000	1	118.4020	0.000	1	118.4020	0.000	1	119.1598	1.982	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:2:1:	3:3:	N-2:C-3:H-1:	N-3:S-2:S-1:	C[5]-3:N-3:	N(NC[5])(CSS)(H)	C(NHN)(SC)(S)	N(C[5]C[5,6a]C[5])(NCH)	N(NC[5])(CSS)(H)	C(NHN)(SC)(S)	N(C[5]C[5,6a]C[5])(NCH)	120.4910	0.000	1	120.4910	0.000	1	120.4910	0.000	1	119.1598	1.982	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:2:1:	3:3:	N-2:C-3:H-1:	N-3:S-2:S-1:	C[6]-3:N-3:	N(NC[6])(CSS)(H)	C(NHN)(SC)(S)	N(C[6]C[6,6a]C[6])(NCH)	N(NC[6])(CSS)(H)	C(NHN)(SC)(S)	N(C[6]C[6,6a]C[6])(NCH)	120.2210	0.000	1	120.2210	0.000	1	119.9280	1.336	3	119.1598	1.982	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:2:1:	3:3:	N-2:C-3:H-1:	N-3:S-2:S-1:	C[6]-3:N-3:	N(NC[6])(CSS)(H)	C(NHN)(SC)(S)	N(C[6]C[6]2)(NCH)	N(NC[6])(CSS)(H)	C(NHN)(SC)(S)	N(C[6]C[6]2)(NCH)	119.7815	1.595	2	119.7815	2.543	2	119.9280	1.336	3	119.1598	1.982	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	C-3:N-3:O-1:	C[6]-3:N-3:	N(NC[6])(CCO)(H)	C(CNO)(NHN)(O)	N(C[6]C[6]2)(NCH)	N(NC[6])(CCO)(H)	C(CNO)(NHN)(O)	N(C[6]C[6]2)(NCH)	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:O-1:	C[5,6]-3:N-3:	N(NC[5,6])(CNO)(H)	C(NHH)(NHN)(O)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	N(NC[5,6])(CNO)(H)	C(NHH)(NHN)(O)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	118.4340	0.000	1	118.4340	0.000	1	118.4340	0.000	1	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:O-1:	C[5]-3:N-3:	N(NC[5])(CNO)(H)	C(NHH)(NHN)(O)	N(C[5]C[5]2)(NCH)	N(NC[5])(CNO)(H)	C(NHH)(NHN)(O)	N(C[5]C[5]2)(NCH)	119.5530	0.546	2	119.5530	0.298	2	119.5530	0.298	2	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:O-1:	C[6,6]-3:N-3:	N(NC[6,6])(CNO)(H)	C(NHH)(NHN)(O)	N(C[6,6]C[3x6]C[6,6])(NCH)	N(NC[6,6])(CNO)(H)	C(NHH)(NHN)(O)	N(C[6,6]C[3x6]C[6,6])(NCH)	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:O-1:	C[6]-3:N-3:	N(NC[6])(CNO)(H)	C(NHH)(NHN)(O)	N(C[6]C[6]2)(NCH)	N(NC[6])(CNO)(H)	C(NHH)(NHN)(O)	N(C[6]C[6]2)(NCH)	120.0415	0.576	2	120.0415	0.332	2	120.0415	0.332	2	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[5,6]-3:N-3:	N(NC[5,6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	N(NC[5,6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	120.7190	0.000	1	120.7190	0.000	1	119.6583	0.849	3	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[5,6]-3:N-3:	N(NC[5,6])(CNS)(H)	C(NHH)(NHN)(S)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	N(NC[5,6])(CNS)(H)	C(NHH)(NHN)(S)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	119.1280	0.102	2	119.1280	0.010	2	119.6583	0.849	3	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[5]-3:N-3:	N(NC[5])(CNS)(H)	C(NCH)(NHN)(S)	N(C[5]C[5,6a]C[5])(NCH)	N(NC[5])(CNS)(H)	C(NCH)(NHN)(S)	N(C[5]C[5,6a]C[5])(NCH)	120.4924	1.010	15	120.4924	1.021	15	120.4243	1.093	42	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[5]-3:N-3:	N(NC[5])(CNS)(H)	C(NCH)(NHN)(S)	N(C[5]C[5]2)(NCH)	N(NC[5])(CNS)(H)	C(NCH)(NHN)(S)	N(C[5]C[5]2)(NCH)	119.1030	0.000	1	119.1030	0.000	1	120.4243	1.093	42	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[5]-3:N-3:	N(NC[5])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[5]C[5,6a]C[5])(NCH)	N(NC[5])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[5]C[5,6a]C[5])(NCH)	120.8504	0.858	17	120.8504	0.736	17	120.4243	1.093	42	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[5]-3:N-3:	N(NC[5])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[5]C[5]2)(NCH)	N(NC[5])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[5]C[5]2)(NCH)	118.4390	0.000	1	118.4390	0.000	1	120.4243	1.093	42	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[5]-3:N-3:	N(NC[5])(CNS)(H)	C(NHH)(NHN)(S)	N(C[5]C[5,6a]C[5])(NCH)	N(NC[5])(CNS)(H)	C(NHH)(NHN)(S)	N(C[5]C[5,6a]C[5])(NCH)	119.8046	0.989	8	119.8046	0.978	8	120.4243	1.093	42	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[6]-3:N-3:	N(NC[6])(CNS)(H)	C(NCH)(NHN)(S)	N(C[6]C[6,6a]C[6])(NCH)	N(NC[6])(CNS)(H)	C(NCH)(NHN)(S)	N(C[6]C[6,6a]C[6])(NCH)	119.1755	0.016	2	119.1755	0.000	2	118.5172	1.410	19	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[6]-3:N-3:	N(NC[6])(CNS)(H)	C(NCH)(NHN)(S)	N(C[6]C[6]2)(NCH)	N(NC[6])(CNS)(H)	C(NCH)(NHN)(S)	N(C[6]C[6]2)(NCH)	118.3348	1.360	5	118.3348	1.849	5	118.5172	1.410	19	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[6]-3:N-3:	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6]C[6,6]C[6])(NCH)	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6]C[6,6]C[6])(NCH)	119.8550	0.000	1	119.8550	0.000	1	118.5172	1.410	19	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[6]-3:N-3:	N(NC[6])(CNS)(H)	C(NHH)(NHN)(S)	N(C[6]C[6,6a]C[6])(NCH)	N(NC[6])(CNS)(H)	C(NHH)(NHN)(S)	N(C[6]C[6,6a]C[6])(NCH)	118.4357	1.188	6	118.4357	1.412	6	118.5172	1.410	19	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[6]-3:N-3:	N(NC[6])(CNS)(H)	C(NHH)(NHN)(S)	N(C[6]C[6]2)(NCH)	N(NC[6])(CNS)(H)	C(NHH)(NHN)(S)	N(C[6]C[6]2)(NCH)	118.2664	1.392	5	118.2664	1.938	5	118.5172	1.410	19	119.8178	1.829	71	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	3:3:2:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-2:	C[5]-3:N-3:	N(NC[5])(CNS)(H)	C(NCH)(NHN)(SCu)	N(C[5]C[5]2)(NCH)	N(NC[5])(CNS)(H)	C(NCH)(NHN)(SCu)	N(C[5]C[5]2)(NCH)	117.0070	0.000	1	117.0070	0.000	1	117.0070	0.000	1	117.0070	0.000	1	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	4:3:1:	3:3:	N-2:C-3:H-1:	C-4:N-3:O-1:	C[5]-3:N-3:	N(NC[5])(CCO)(H)	C(CC[6a]CH)(NHN)(O)	N(C[5]C[5,6a]C[5])(NCH)	N(NC[5])(CCO)(H)	C(CC[6a]CH)(NHN)(O)	N(C[5]C[5,6a]C[5])(NCH)	118.1310	0.000	1	118.1310	0.000	1	118.5065	0.282	2	119.2402	0.593	5	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	4:3:1:	3:3:	N-2:C-3:H-1:	C-4:N-3:O-1:	C[5]-3:N-3:	N(NC[5])(CCO)(H)	C(CHHO)(NHN)(O)	N(C[5]C[5,6a]C[5])(NCH)	N(NC[5])(CCO)(H)	C(CHHO)(NHN)(O)	N(C[5]C[5,6a]C[5])(NCH)	118.8820	0.000	1	118.8820	0.000	1	118.5065	0.282	2	119.2402	0.593	5	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	4:3:1:	3:3:	N-2:C-3:H-1:	C-4:N-3:O-1:	C[6]-3:N-3:	N(NC[6])(CCO)(H)	C(CCHH)(NHN)(O)	N(C[6]C[6]2)(NCH)	N(NC[6])(CCO)(H)	C(CCHH)(NHN)(O)	N(C[6]C[6]2)(NCH)	119.3050	0.000	1	119.3050	0.000	1	119.7293	0.148	3	119.2402	0.593	5	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	2:3:1:	4:3:1:	3:3:	N-2:C-3:H-1:	C-4:N-3:O-1:	C[6]-3:N-3:	N(NC[6])(CCO)(H)	C(CH3)(NHN)(O)	N(C[6]C[6]2)(NCH)	N(NC[6])(CCO)(H)	C(CH3)(NHN)(O)	N(C[6]C[6]2)(NCH)	119.9415	0.163	2	119.9415	0.027	2	119.7293	0.148	3	119.2402	0.593	5	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	2:3:1:	3:3:	C-3:N-2:H-1:	N-2:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a])(NHN)(S)	N(CCC)(NCH)	N(CNS)(NC)(H)	C(NC[6a])(NHN)(S)	N(CCC)(NCH)	117.6530	0.000	1	117.6530	0.000	1	117.6530	0.000	1	117.6530	0.000	1	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	2:3:3:	3:3:	C-3:N-2:H-1:	S-2:N-3:N-3:	C-3:N-3:	N(CNS)(NC)(H)	C(SIn[5,5])(NCH)(NHN)	N(CC[6]C)(NCH)	N(CNS)(NC)(H)	C(SIn[5,5])(NCH)(NHN)	N(CC[6]C)(NCH)	120.7350	0.000	1	120.7350	0.000	1	120.7710	0.003	2	120.7710	0.003	2	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	2:3:3:	3:3:	C-3:N-2:H-1:	S-2:N-3:N-3:	C-3:N-3:	N(CNS)(NC)(H)	C(SIn[5,5])(NHH)(NHN)	N(CC[6]C)(NCH)	N(CNS)(NC)(H)	C(SIn[5,5])(NHH)(NHN)	N(CC[6]C)(NCH)	120.8070	0.000	1	120.8070	0.000	1	120.7710	0.003	2	120.7710	0.003	2	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:1:1:	3:3:	C-3:N-2:H-1:	N-3:H-1:O-1:	C-3:N-3:	N(CHO)(NC)(H)	C(NHN)(H)(O)	N(CC[5a]H)(NCH)	N(CHO)(NC)(H)	C(NHN)(H)(O)	N(CC[5a]H)(NCH)	119.5330	0.000	1	119.5330	0.000	1	118.3392	0.869	5	118.3392	0.869	5	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:1:1:	3:3:	C-3:N-2:H-1:	N-3:H-1:O-1:	C-3:N-3:	N(CHO)(NC)(H)	C(NHN)(H)(O)	N(CC[6a]C)(NCH)	N(CHO)(NC)(H)	C(NHN)(H)(O)	N(CC[6a]C)(NCH)	117.5555	0.260	2	117.5555	0.067	2	118.3392	0.869	5	118.3392	0.869	5	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:1:1:	3:3:	C-3:N-2:H-1:	N-3:H-1:O-1:	C-3:N-3:	N(CHO)(NC)(H)	C(NHN)(H)(O)	N(CC[6a]H)(NCH)	N(CHO)(NC)(H)	C(NHN)(H)(O)	N(CC[6a]H)(NCH)	118.5260	0.829	2	118.5260	0.687	2	118.3392	0.869	5	118.3392	0.869	5	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:N-2:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHN)(NH)(O)	N(CC[5a]C)(NCH)	N(CNO)(NC)(H)	C(NHN)(NH)(O)	N(CC[5a]C)(NCH)	116.5740	0.000	1	116.5740	0.000	1	118.7165	9.181	2	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:N-2:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHN)(NN)(O)	N(CC[6a]H)(NCH)	N(CNO)(NC)(H)	C(NHN)(NN)(O)	N(CC[6a]H)(NCH)	120.8590	0.000	1	120.8590	0.000	1	118.7165	9.181	2	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:N-2:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)(NC)(S)	N(CC[5a]C)(NCH)	N(CNS)(NC)(H)	C(NHN)(NC)(S)	N(CC[5a]C)(NCH)	118.7630	0.000	1	118.7630	0.000	1	119.7215	0.474	6	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:N-2:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)(NC)(S)	N(CC[6a]C)(NCH)	N(CNS)(NC)(H)	C(NHN)(NC)(S)	N(CC[6a]C)(NCH)	119.0280	0.000	1	119.0280	0.000	1	119.7215	0.474	6	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:N-2:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)(NC)(S)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NHN)(NC)(S)	N(CC[6a]H)(NCH)	120.0355	0.400	2	120.0355	0.160	2	119.7215	0.474	6	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:N-2:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)(NH)(S)	N(CC[5a]H)(NCH)	N(CNS)(NC)(H)	C(NHN)(NH)(S)	N(CC[5a]H)(NCH)	120.2335	0.296	2	120.2335	0.088	2	119.7215	0.474	6	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:N-2:Se-1:	C-3:N-3:	N(CSeN)(NC)(H)	C(NHN)(NH)(Se)	N(CC[6a]H)(NCH)	N(CSeN)(NC)(H)	C(NHN)(NH)(Se)	N(CC[6a]H)(NCH)	119.3310	0.000	1	119.3310	0.000	1	119.3310	0.000	1	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:O-2:O-1:	C-3:N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CCC)(NCH)	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CCC)(NCH)	117.4513	1.201	3	117.4513	1.442	3	119.0043	1.450	65	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:O-2:O-1:	C-3:N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CCH)(NCH)	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CCH)(NCH)	118.8340	0.000	1	118.8340	0.000	1	119.0043	1.450	65	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:O-2:O-1:	C-3:N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CCN)(NCH)	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CCN)(NCH)	120.3040	0.000	1	120.3040	0.000	1	119.0043	1.450	65	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:O-2:O-1:	C-3:N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[5]C)(NCH)	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[5]C)(NCH)	121.1390	0.000	1	121.1390	0.000	1	119.0043	1.450	65	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:O-2:O-1:	C-3:N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[5a]H)(NCH)	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[5a]H)(NCH)	118.6620	0.604	7	118.6620	0.365	7	119.0043	1.450	65	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:O-2:O-1:	C-3:N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[6]C)(NCH)	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[6]C)(NCH)	117.8820	0.000	1	117.8820	0.000	1	119.0043	1.450	65	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:O-2:O-1:	C-3:N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[6a]C)(NCH)	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[6a]C)(NCH)	118.9704	1.827	8	118.9704	3.337	8	119.0043	1.450	65	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:O-2:O-1:	C-3:N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[6a]H)(NCH)	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[6a]H)(NCH)	119.1248	1.071	43	119.1248	1.147	43	119.0043	1.450	65	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:S-2:S-1:	C-3:N-3:	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CCC)(NCH)	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CCC)(NCH)	117.0770	0.000	1	117.0770	0.000	1	119.9166	1.780	63	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:S-2:S-1:	C-3:N-3:	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CCH)(NCH)	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CCH)(NCH)	120.4925	0.611	6	120.4925	0.374	6	119.9166	1.780	63	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:S-2:S-1:	C-3:N-3:	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[5a]C)(NCH)	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[5a]C)(NCH)	118.8307	1.011	4	118.8307	1.022	4	119.9166	1.780	63	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:S-2:S-1:	C-3:N-3:	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[5a]H)(NCH)	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[5a]H)(NCH)	120.8338	0.485	5	120.8338	0.235	5	119.9166	1.780	63	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:S-2:S-1:	C-3:N-3:	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[6a]2)(NCH)	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[6a]2)(NCH)	120.4100	0.000	1	120.4100	0.000	1	119.9166	1.780	63	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:S-2:S-1:	C-3:N-3:	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[6a]C)(NCH)	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[6a]C)(NCH)	118.0092	1.011	9	118.0092	1.022	9	119.9166	1.780	63	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:S-2:S-1:	C-3:N-3:	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[6a]H)(NCH)	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[6a]H)(NCH)	120.3530	1.035	36	120.3530	1.071	36	119.9166	1.780	63	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:S-2:S-1:	C-3:N-3:	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[6a]N)(NCH)	N(CSS)(NC)(H)	C(NHN)(SC)(S)	N(CC[6a]N)(NCH)	120.0240	0.000	1	120.0240	0.000	1	119.9166	1.780	63	119.4534	1.786	137	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:2:	3:3:	C-3:N-2:H-1:	N-3:N-2:N-2:	C-3:N-3:	N(CNN)(NC)(H)	C(NHN)(NN)2	N(CC[6a]H)(NCH)	N(CNN)(NC)(H)	C(NHN)(NN)2	N(CC[6a]H)(NCH)	117.8540	0.000	1	117.8540	0.000	1	117.8540	0.000	1	120.2626	1.618	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:2:	3:3:	C-3:N-2:H-1:	N-3:O-2:N-2:	C-3:N-3:	N(CNO)(NC)(H)	C(NHN)(OMo)(NN)	N(CC[6a]H)(NCH)	N(CNO)(NC)(H)	C(NHN)(OMo)(NN)	N(CC[6a]H)(NCH)	120.1340	0.000	1	120.1340	0.000	1	120.1340	0.000	1	120.2626	1.618	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:2:	3:3:	C-3:N-2:H-1:	N-3:S-2:N-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)(SNi)(NN)	N(CC[5a]H)(NCH)	N(CNS)(NC)(H)	C(NHN)(SNi)(NN)	N(CC[5a]H)(NCH)	120.1290	0.000	1	120.1290	0.000	1	120.6855	0.886	6	120.2626	1.618	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:2:	3:3:	C-3:N-2:H-1:	N-3:S-2:N-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)(SSn)(NN)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NHN)(SSn)(NN)	N(CC[6a]H)(NCH)	120.9175	1.121	4	120.9175	1.256	4	120.6855	0.886	6	120.2626	1.618	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:2:2:	3:3:	C-3:N-2:H-1:	N-3:S-2:N-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)(SZn)(NN)	N(CC[6a]C)(NCH)	N(CNS)(NC)(H)	C(NHN)(SZn)(NN)	N(CC[6a]C)(NCH)	120.3140	0.000	1	120.3140	0.000	1	120.6855	0.886	6	120.2626	1.618	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:1:	C-3:N-2:H-1:	C-3:N-3:H-1:	N-3:H-1:	N(CCH)(NH)(H)	C(CCH)(NHN)(H)	N(NCH)(H)	N(CCH)(NH)(H)	C(CCH)(NHN)(H)	N(NCH)(H)	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	120.4098	17.865	6	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:1:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:H-1:	N(CC[6a]O)(NH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(NCH)(H)	N(CC[6a]O)(NH)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(NCH)(H)	122.5710	0.549	2	122.5710	0.301	2	122.5710	0.301	2	120.4098	17.865	6	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:1:	C-3:N-2:H-1:	N-3:N-3:S-1:	N-3:H-1:	N(CNS)(NH)(H)	C(NC[6a]H)(NHN)(S)	N(NCH)(H)	N(CNS)(NH)(H)	C(NC[6a]H)(NHN)(S)	N(NCH)(H)	122.7950	0.000	1	122.7950	0.000	1	122.7950	0.000	1	120.4098	17.865	6	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:1:	C-3:N-2:H-1:	N-3:P-3:O-1:	N-3:H-1:	N(COP)(NH)(H)	C(NHN)(PHH)(O)	N(NCH)(H)	N(COP)(NH)(H)	C(NHN)(PHH)(O)	N(NCH)(H)	121.3095	0.103	2	121.3095	0.011	2	121.3095	0.011	2	120.4098	17.865	6	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCH)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CCH)(NHN)(O)	N(CC[6a]H)(NCH)	118.5450	0.000	1	118.5450	0.000	1	118.7378	3.110	13	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCN)(NHN)(O)	N(CC[6a]C)(NCH)	N(CCO)(NC)(H)	C(CCN)(NHN)(O)	N(CC[6a]C)(NCH)	120.1640	0.000	1	120.1640	0.000	1	118.7378	3.110	13	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCN)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CCN)(NHN)(O)	N(CC[6a]H)(NCH)	118.6177	2.609	3	118.6177	6.805	3	118.7378	3.110	13	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	N(CC[6a]C)(NCH)	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	N(CC[6a]C)(NCH)	119.8520	0.000	1	119.8520	0.000	1	118.7378	3.110	13	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	N(CC[6a]H)(NCH)	118.2947	0.754	3	118.2947	0.568	3	118.7378	3.110	13	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CNO)(NHN)(O)	N(CC[6]C)(NCH)	N(CCO)(NC)(H)	C(CNO)(NHN)(O)	N(CC[6]C)(NCH)	118.1540	0.000	1	118.1540	0.000	1	118.7378	3.110	13	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CN[5a]N)(NHN)(O)	N(CC[6a]C)(NCH)	N(CCO)(NC)(H)	C(CN[5a]N)(NHN)(O)	N(CC[6a]C)(NCH)	118.7133	3.024	3	118.7133	9.142	3	118.7378	3.110	13	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:N-3:O-1:	N-3:N-3:	N(CCO)(NN)(H)	C(CC[6a]O)(NHN)(O)	N(NCC)(NCH)	N(CCO)(NN)(H)	C(CC[6a]O)(NHN)(O)	N(NCC)(NCH)	113.3700	0.000	1	113.3700	0.000	1	113.3700	0.000	1	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]2)(NHN)(O)	N(CCC)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]2)(NHN)(O)	N(CCC)(NCH)	121.5750	0.000	1	121.5750	0.000	1	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]2)(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]2)(NHN)(O)	N(CC[6a]H)(NCH)	121.5388	2.551	5	121.5388	6.506	5	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CCC)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CCC)(NCH)	121.1190	0.000	1	121.1190	0.000	1	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[5a]C)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[5a]C)(NCH)	120.3553	0.707	3	120.3553	0.499	3	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[5a]H)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[5a]H)(NCH)	117.7580	0.000	1	117.7580	0.000	1	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[6a]2)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[6a]2)(NCH)	118.4760	0.000	1	118.4760	0.000	1	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[6a]C)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[6a]C)(NCH)	119.3013	1.959	3	119.3013	3.840	3	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(CC[6a]H)(NCH)	119.3676	0.973	10	119.3676	0.947	10	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CCC)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CCC)(NCH)	121.3820	0.000	1	121.3820	0.000	1	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CCH)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CCH)(NCH)	119.2300	0.000	1	119.2300	0.000	1	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CC[5a]H)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CC[5a]H)(NCH)	119.0326	0.326	5	119.0326	0.106	5	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CC[6a]C)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CC[6a]C)(NCH)	117.4810	0.311	2	117.4810	0.097	2	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CC[6a]H)(NCH)	119.1971	0.999	19	119.1971	0.998	19	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CSS)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(CSS)(NCH)	121.4420	0.000	1	121.4420	0.000	1	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CCC)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CCC)(NCH)	120.7920	0.000	1	120.7920	0.000	1	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[5a]H)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[5a]H)(NCH)	117.7755	0.375	2	117.7755	0.141	2	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6]H)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6]H)(NCH)	122.6960	1.182	3	122.6960	1.396	3	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6a]C)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6a]C)(NCH)	115.4870	0.000	1	115.4870	0.000	1	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	N(CC[6a]H)(NCH)	120.8929	1.619	18	120.8929	2.620	18	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a,5a]C[5a])(NHN)(O)	N(CCC)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a,5a]C[5a])(NHN)(O)	N(CCC)(NCH)	117.6710	0.000	1	117.6710	0.000	1	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a]2)(NHN)(O)	N(CC[5a]H)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a]2)(NHN)(O)	N(CC[5a]H)(NCH)	129.4210	0.000	1	129.4210	0.000	1	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C-3:N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a]2)(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a]2)(NHN)(O)	N(CC[6a]H)(NCH)	121.1548	1.246	4	121.1548	1.553	4	120.0458	4.086	85	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C[5,6]-3:N-3:	N(CC[5a]O)(NC[5,6])(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	N(CC[5a]O)(NC[5,6])(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	120.9100	0.013	2	120.9100	0.000	2	120.9100	0.000	2	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[5a]O)(NC[5])(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(C[5]C[5,6a]C[5])(NCH)	N(CC[5a]O)(NC[5])(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(C[5]C[5,6a]C[5])(NCH)	120.7050	0.000	1	120.7050	0.000	1	120.7050	0.000	1	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	C[6]-3:N-3:	N(CC[5a]O)(NC[6])(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(C[6]C[6]2)(NCH)	N(CC[5a]O)(NC[6])(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	N(C[6]C[6]2)(NCH)	120.2250	0.676	3	120.2250	0.456	3	120.2250	0.456	3	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6]-3:N-3:O-1:	C-3:N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]2)(NHN)(O)	N(CCC)(NCH)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2)(NHN)(O)	N(CCC)(NCH)	117.3650	0.000	1	117.3650	0.000	1	118.2798	2.612	21	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6]-3:N-3:O-1:	C-3:N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]2)(NHN)(O)	N(CC[5a]H)(NCH)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2)(NHN)(O)	N(CC[5a]H)(NCH)	117.6775	0.039	2	117.6775	0.002	2	118.2798	2.612	21	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6]-3:N-3:O-1:	C-3:N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]2)(NHN)(O)	N(CC[6]H)(NCH)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2)(NHN)(O)	N(CC[6]H)(NCH)	119.7380	1.177	4	119.7380	1.385	4	118.2798	2.612	21	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6]-3:N-3:O-1:	C-3:N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]2)(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2)(NHN)(O)	N(CC[6a]H)(NCH)	117.8193	1.584	13	117.8193	2.508	13	118.2798	2.612	21	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6]-3:N-3:O-1:	C-3:N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]N[6])(NHN)(O)	N(CC[6a]C)(NCH)	N(CC[6]O)(NC)(H)	C(C[6]C[6]N[6])(NHN)(O)	N(CC[6a]C)(NCH)	120.5530	0.000	1	120.5530	0.000	1	118.2798	2.612	21	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	N(CC[6a]H)(NCH)	118.8785	0.021	2	118.8785	0.000	2	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCC)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCC)(NCH)	118.0750	1.619	38	118.0750	2.621	38	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCH)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCH)(NCH)	118.8280	1.041	21	118.8280	1.083	21	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5]H)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5]H)(NCH)	117.4680	0.000	1	117.4680	0.000	1	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]C)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]C)(NCH)	120.2260	1.202	3	120.2260	1.445	3	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]C[6a])(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]C[6a])(NCH)	120.2890	0.000	1	120.2890	0.000	1	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]H)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]H)(NCH)	119.4461	1.394	48	119.4461	1.943	48	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6]C)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6]C)(NCH)	118.2990	0.629	2	118.2990	0.396	2	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6]H)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6]H)(NCH)	118.4611	0.906	7	118.4611	0.820	7	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]2)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]2)(NCH)	119.5918	0.914	22	119.5918	0.835	22	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]C)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]C)(NCH)	118.1180	2.002	56	118.1180	4.007	56	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]C[6])(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]C[6])(NCH)	120.4950	0.000	1	120.4950	0.000	1	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]H)(NCH)	118.8392	1.291	664	118.8392	1.668	664	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]N)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]N)(NCH)	119.2015	1.880	2	119.2015	3.535	2	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CSS)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CSS)(NCH)	118.8406	1.773	10	118.8406	3.142	10	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CCC)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CCC)(NCH)	118.4705	1.858	4	118.4705	3.454	4	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[5a]C)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[5a]C)(NCH)	119.4570	0.000	1	119.4570	0.000	1	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[5a]H)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[5a]H)(NCH)	120.8290	0.000	1	120.8290	0.000	1	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[6a]C)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[6a]C)(NCH)	119.5131	1.930	7	119.5131	3.724	7	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[6a]H)(NCH)	119.4823	1.539	44	119.4823	2.368	44	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[6a]N)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CC[6a]N)(NCH)	116.5950	0.000	1	116.5950	0.000	1	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CSS)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(CSS)(NCH)	121.1845	1.282	2	121.1845	1.643	2	118.8558	1.993	938	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5,6]C[5])(NCH)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5,6]C[5])(NCH)	116.8000	0.283	4	116.8000	0.080	4	118.9214	3.174	27	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5,6a]2)(NCH)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5,6a]2)(NCH)	116.5010	0.000	1	116.5010	0.000	1	118.9214	3.174	27	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5,6a]C[5])(NCH)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5,6a]C[5])(NCH)	119.8249	1.014	12	119.8249	1.028	12	118.9214	3.174	27	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5,6a]N[5])(NCH)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5,6a]N[5])(NCH)	119.2960	0.000	1	119.2960	0.000	1	118.9214	3.174	27	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5]2)(NCH)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5]2)(NCH)	117.9050	0.000	1	117.9050	0.000	1	118.9214	3.174	27	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]N[5]S[5])(NCH)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]N[5]S[5])(NCH)	120.9505	1.322	2	120.9505	1.747	2	118.9214	3.174	27	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]S[5]2)(NCH)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]S[5]2)(NCH)	115.6875	0.087	2	115.6875	0.008	2	118.9214	3.174	27	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(C[5]C[5,6]C[5])(NCH)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	N(C[5]C[5,6]C[5])(NCH)	119.7002	0.969	4	119.7002	0.939	4	118.9214	3.174	27	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5a]-3:N-3:	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5a]C[5a,6a]N[5a])(NCH)	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5a]C[5a,6a]N[5a])(NCH)	117.1240	0.000	1	117.1240	0.000	1	117.1240	0.000	1	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[6,6]-3:N-3:	N(CC[6a]O)(NC[6,6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6,6]C[3x6]2)(NCH)	N(CC[6a]O)(NC[6,6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6,6]C[3x6]2)(NCH)	117.0020	0.000	1	117.0020	0.000	1	117.0020	0.000	1	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[6]-3:N-3:	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[5a,6]C[6])(NCH)	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[5a,6]C[6])(NCH)	117.0470	0.000	1	117.0470	0.000	1	119.2599	8.557	14	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[6]-3:N-3:	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6,6a]C[6])(NCH)	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6,6a]C[6])(NCH)	124.3480	0.000	2	124.3480	0.000	2	119.2599	8.557	14	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[6]-3:N-3:	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6,6a]N[6])(NCH)	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6,6a]N[6])(NCH)	121.3950	0.000	1	121.3950	0.000	1	119.2599	8.557	14	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[6]-3:N-3:	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6,6a]O[6])(NCH)	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6,6a]O[6])(NCH)	120.2030	0.000	1	120.2030	0.000	1	119.2599	8.557	14	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[6]-3:N-3:	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6]2)(NCH)	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[6]C[6]2)(NCH)	118.0331	2.109	9	118.0331	4.447	9	119.2599	8.557	14	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CCC)(NCH)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CCC)(NCH)	119.2085	0.127	2	119.2085	0.016	2	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CCH)(NCH)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CCH)(NCH)	120.4435	0.262	2	120.4435	0.069	2	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[5a]C)(NCH)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[5a]C)(NCH)	119.6045	0.408	2	119.6045	0.166	2	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[5a]C[6a])(NCH)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[5a]C[6a])(NCH)	118.1482	1.760	6	118.1482	3.098	6	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[6a]2)(NCH)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[6a]2)(NCH)	119.5487	1.436	3	119.5487	2.063	3	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[6a]C)(NCH)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[6a]C)(NCH)	118.0793	0.778	3	118.0793	0.605	3	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[6a]C[6])(NCH)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[6a]C[6])(NCH)	117.2020	0.000	1	117.2020	0.000	1	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[6a]H)(NCH)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[6a]H)(NCH)	121.1026	1.067	8	121.1026	1.139	8	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CCC)(NCH)	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CCC)(NCH)	119.0990	1.398	5	119.0990	1.954	5	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[5]H)(NCH)	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[5]H)(NCH)	119.7700	0.000	1	119.7700	0.000	1	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[5a]H)(NCH)	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[5a]H)(NCH)	120.1624	0.777	17	120.1624	0.604	17	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[6]C)(NCH)	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[6]C)(NCH)	117.9175	1.538	2	117.9175	2.365	2	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[6]H)(NCH)	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[6]H)(NCH)	119.3134	0.766	5	119.3134	0.587	5	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[6a]2)(NCH)	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[6a]2)(NCH)	119.8363	1.573	3	119.8363	2.473	3	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[6a]C)(NCH)	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[6a]C)(NCH)	118.3016	0.720	9	118.3016	0.519	9	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[6a]H)(NCH)	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	N(CC[6a]H)(NCH)	120.6051	0.791	21	120.6051	0.626	21	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[5]C)(NCH)	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[5]C)(NCH)	118.9915	1.641	2	118.9915	2.694	2	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[5a]H)(NCH)	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[5a]H)(NCH)	118.3090	0.000	1	118.3090	0.000	1	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6]C)(NCH)	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6]C)(NCH)	117.8140	0.042	2	117.8140	0.002	2	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6]H)(NCH)	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6]H)(NCH)	119.1576	1.535	10	119.1576	2.355	10	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6a]2)(NCH)	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6a]2)(NCH)	118.8417	1.486	3	118.8417	2.208	3	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6a]C)(NCH)	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6a]C)(NCH)	118.2108	1.429	10	118.2108	2.042	10	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6a]C[6])(NCH)	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6a]C[6])(NCH)	116.7640	0.000	1	116.7640	0.000	1	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6a]H)(NCH)	N(CNO)(NC)(H)	C(NHN)2(O)	N(CC[6a]H)(NCH)	117.9435	1.668	22	117.9435	2.781	22	119.2008	2.501	141	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCC)(NHN)(S)	N(CC[6a]2)(NCH)	N(CNS)(NC)(H)	C(NCC)(NHN)(S)	N(CC[6a]2)(NCH)	121.9880	0.000	1	121.9880	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCC)(NHN)(S)	N(CC[6a]C)(NCH)	N(CNS)(NC)(H)	C(NCC)(NHN)(S)	N(CC[6a]C)(NCH)	119.5510	0.994	3	119.5510	0.988	3	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCC)(NHN)(S)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NCC)(NHN)(S)	N(CC[6a]H)(NCH)	119.7092	0.996	4	119.7092	0.991	4	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CCC)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CCC)(NCH)	118.0744	0.914	10	118.0744	0.835	10	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CCH)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CCH)(NCH)	119.4810	0.000	1	119.4810	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[5]C)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[5]C)(NCH)	118.4682	0.358	5	118.4682	0.128	5	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[5]H)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[5]H)(NCH)	119.0055	0.596	2	119.0055	0.355	2	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[5a]C[6a])(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[5a]C[6a])(NCH)	119.3950	0.266	2	119.3950	0.071	2	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[5a]H)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[5a]H)(NCH)	119.0000	0.000	1	119.0000	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[6]C)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[6]C)(NCH)	118.8650	0.000	1	118.8650	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[6a]C)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[6a]C)(NCH)	118.8154	1.229	22	118.8154	1.510	22	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[6a]C[6])(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[6a]C[6])(NCH)	118.3280	0.000	1	118.3280	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[6a]H)(NCH)	120.2232	1.065	45	120.2232	1.134	45	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(CCC)(NCH)	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(CCC)(NCH)	117.9535	0.322	2	117.9535	0.104	2	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(CC[6]H)(NCH)	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(CC[6]H)(NCH)	118.3570	0.000	1	118.3570	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(CC[6a]C)(NCH)	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(CC[6a]C)(NCH)	118.1650	0.000	1	118.1650	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(CC[6a]H)(NCH)	120.7290	0.584	9	120.7290	0.342	9	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]C)(NHN)(S)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NC[6a]C)(NHN)(S)	N(CC[6a]H)(NCH)	118.0735	0.163	2	118.0735	0.027	2	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CCC)(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CCC)(NCH)	118.9215	1.191	15	118.9215	1.417	15	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CCH)(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CCH)(NCH)	120.3298	0.724	4	120.3298	0.524	4	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[5a]C[6a])(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[5a]C[6a])(NCH)	118.7850	0.000	1	118.7850	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[5a]H)(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[5a]H)(NCH)	120.2853	0.800	3	120.2853	0.641	3	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6]C)(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6]C)(NCH)	119.3880	0.000	1	119.3880	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6]H)(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6]H)(NCH)	120.3130	0.000	1	120.3130	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6a]2)(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6a]2)(NCH)	120.9155	0.301	2	120.9155	0.090	2	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6a]C)(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6a]C)(NCH)	119.0829	1.322	9	119.0829	1.748	9	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6a]H)(NCH)	120.3991	1.264	31	120.3991	1.598	31	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6a]O)(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(CC[6a]O)(NCH)	121.0238	1.487	4	121.0238	2.211	4	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CCC)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CCC)(NCH)	118.9901	0.766	8	118.9901	0.587	8	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CCH)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CCH)(NCH)	119.3847	1.070	3	119.3847	1.144	3	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[4]C)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[4]C)(NCH)	119.3590	0.000	1	119.3590	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[5,6]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[5,6]H)(NCH)	120.0910	0.000	1	120.0910	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[5]C)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[5]C)(NCH)	119.0183	0.906	3	119.0183	0.821	3	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[5]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[5]H)(NCH)	119.9500	0.527	3	119.9500	0.278	3	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[5a]C)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[5a]C)(NCH)	118.5578	0.782	6	118.5578	0.612	6	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[5a]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[5a]H)(NCH)	119.8847	0.810	9	119.8847	0.656	9	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[6]C)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[6]C)(NCH)	119.5945	0.245	2	119.5945	0.060	2	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[6]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[6]H)(NCH)	119.8674	0.560	5	119.8674	0.314	5	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[6a]2)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[6a]2)(NCH)	118.7755	2.329	2	118.7755	5.422	2	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[6a]C)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[6a]C)(NCH)	118.3170	0.973	25	118.3170	0.946	25	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CC[6a]H)(NCH)	119.8547	0.860	65	119.8547	0.740	65	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CHO)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CHO)(NCH)	121.1650	0.000	1	121.1650	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CNS)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	N(CNS)(NCH)	121.4600	0.000	1	121.4600	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)2(S)	N(CC[5]C)(NCH)	N(CNS)(NC)(H)	C(NHN)2(S)	N(CC[5]C)(NCH)	117.7590	0.000	1	117.7590	0.000	1	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)2(S)	N(CC[5a]H)(NCH)	N(CNS)(NC)(H)	C(NHN)2(S)	N(CC[5a]H)(NCH)	121.1790	3.254	2	121.1790	10.589	2	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)2(S)	N(CC[6a]C)(NCH)	N(CNS)(NC)(H)	C(NHN)2(S)	N(CC[6a]C)(NCH)	119.6827	1.848	6	119.6827	3.414	6	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)2(S)	N(CC[6a]C[6])(NCH)	N(CNS)(NC)(H)	C(NHN)2(S)	N(CC[6a]C[6])(NCH)	120.2830	0.481	2	120.2830	0.231	2	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NHN)2(S)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NHN)2(S)	N(CC[6a]H)(NCH)	120.0113	1.391	14	120.0113	1.935	14	119.5975	1.613	344	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:Se-1:	C-3:N-3:	N(CSeN)(NC)(H)	C(NHH)(NHN)(Se)	N(CC[6a]H)(NCH)	N(CSeN)(NC)(H)	C(NHH)(NHN)(Se)	N(CC[6a]H)(NCH)	119.8840	0.000	1	119.8840	0.000	1	119.8840	0.000	1	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N[5]-3:N-3:S-1:	C[5]-3:N-3:	N(CN[5]S)(NC[5])(H)	C(N[5]C[5]2)(NHN)(S)	N(C[5]C[5,6a]C[5])(NCH)	N(CN[5]S)(NC[5])(H)	C(N[5]C[5]2)(NHN)(S)	N(C[5]C[5,6a]C[5])(NCH)	121.3126	0.517	5	121.3126	0.267	5	121.3126	0.267	5	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N[6]-3:N-3:S-1:	C-3:N-3:	N(CN[6]S)(NC)(H)	C(N[6]C[6]2)(NHN)(S)	N(CC[6a]H)(NCH)	N(CN[6]S)(NC)(H)	C(N[6]C[6]2)(NHN)(S)	N(CC[6a]H)(NCH)	122.4630	5.334	2	122.4630	28.456	2	122.4630	28.456	2	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	O[3x4]-3:N-3:O-1:	C-3:N-3:	N(CO[3x4]O)(NC)(H)	C(O[3x4]C[6x4]2)(NHN)(O)	N(CCH)(NCH)	N(CO[3x4]O)(NC)(H)	C(O[3x4]C[6x4]2)(NHN)(O)	N(CCH)(NCH)	119.9420	0.000	1	119.9420	0.000	1	119.9420	0.000	1	119.1190	2.353	1601	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:1:	C-3:N-2:H-1:	C[6]-3:N-3:N-2:	N-3:H-1:	N(CC[6]N)(NH)(H)	C(C[6]C[6]N[6])(NHN)(NCu)	N(NCH)(H)	N(CC[6]N)(NH)(H)	C(C[6]C[6]N[6])(NHN)(NCu)	N(NCH)(H)	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1	117.9760	1.037	2	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:1:	C-3:N-2:H-1:	N-3:N-3:N-2:	N-3:H-1:	N(CNN)(NH)(H)	C(NHH)(NHN)(NH)	N(NCH)(H)	N(CNN)(NH)(H)	C(NHH)(NHN)(NH)	N(NCH)(H)	117.2560	0.000	1	117.2560	0.000	1	117.2560	0.000	1	117.9760	1.037	2	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:N-2:	C-3:N-3:	N(CNN)(NC)(H)	C(NPdN)(NHN)(NN)	N(CC[6a]H)(NCH)	N(CNN)(NC)(H)	C(NPdN)(NHN)(NN)	N(CC[6a]H)(NCH)	118.8510	0.000	1	118.8510	0.000	1	118.8510	0.000	1	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NCC)(NHN)(SPt)	N(CC[5a]C)(NCH)	N(CNS)(NC)(H)	C(NCC)(NHN)(SPt)	N(CC[5a]C)(NCH)	119.5950	0.000	1	119.5950	0.000	1	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(SAg)	N(CC[6a]C)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(SAg)	N(CC[6a]C)(NCH)	117.2665	0.480	2	117.2665	0.231	2	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(SCu)	N(CC[5a]C)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(SCu)	N(CC[5a]C)(NCH)	117.5690	0.000	1	117.5690	0.000	1	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(SCu)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(SCu)	N(CC[6a]H)(NCH)	119.2650	0.000	1	119.2650	0.000	1	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(SCd)	N(CC[5a]C)(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(SCd)	N(CC[5a]C)(NCH)	118.7940	0.000	1	118.7940	0.000	1	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(SCu)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(SCu)	N(CC[6a]H)(NCH)	120.3285	1.131	2	120.3285	1.278	2	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SAg)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(SAg)	N(CC[6a]H)(NCH)	120.5313	0.560	3	120.5313	0.314	3	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SC)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(SC)	N(CC[6a]H)(NCH)	118.1680	0.181	2	118.1680	0.033	2	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SCd)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(SCd)	N(CC[6a]H)(NCH)	119.5265	0.681	2	119.5265	0.464	2	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SCu)	N(CCC)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(SCu)	N(CCC)(NCH)	117.7040	0.000	1	117.7040	0.000	1	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SCu)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(SCu)	N(CC[6a]H)(NCH)	121.0970	0.000	1	121.0970	0.000	1	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SHg)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(SHg)	N(CC[6a]H)(NCH)	118.7520	0.000	1	118.7520	0.000	1	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SPb)	N(CC[6a]C)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(SPb)	N(CC[6a]C)(NCH)	117.5940	0.000	1	117.5940	0.000	1	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SPd)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(SPd)	N(CC[6a]H)(NCH)	121.2210	0.000	1	121.2210	0.000	1	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SPt)	N(CC[5a]C)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(SPt)	N(CC[5a]C)(NCH)	117.7680	0.000	1	117.7680	0.000	1	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SPt)	N(CC[6a]N)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(SPt)	N(CC[6a]N)(NCH)	117.6940	0.000	1	117.6940	0.000	1	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SZn)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NHH)(NHN)(SZn)	N(CC[6a]H)(NCH)	120.5770	1.973	3	120.5770	3.892	3	119.2383	2.240	25	119.2234	2.156	26	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:1:	C-3:N-2:H-1:	N-3:N-3:N-3:	N-3:H-1:	N(CNN)(NH)(H)	C(NHH)2(NHN)	N(NCH)(H)	N(CNN)(NH)(H)	C(NHH)2(NHN)	N(NCH)(H)	117.8750	0.918	2	117.8750	0.842	2	117.8843	0.421	3	117.7955	0.313	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:1:	C-3:N-2:H-1:	N-3:N-3:N-3:	N-3:H-1:	N(CNN)(NH)(H)	C(NHN)3	N(NCH)(H)	N(CNN)(NH)(H)	C(NHN)3	N(NCH)(H)	117.9030	0.000	1	117.9030	0.000	1	117.8843	0.421	3	117.7955	0.313	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:1:	C-3:N-2:O-1:	C-3:C-3:N-3:	N-3:O-1:	N(CCC)(NO)(O)	C(CCO)(COO)(NNO)	N(NCO)(O)	N(CCC)(NO)(O)	C(CCO)(COO)(NNO)	N(NCO)(O)	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1	117.7955	0.313	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	C-3:N-3:N-3:	C-3:N-3:	N(CCN)(NC)(H)	C(CNN)(NHH)(NHN)	N(CCC)(NCH)	N(CCN)(NC)(H)	C(CNN)(NHH)(NHN)	N(CCC)(NCH)	117.8220	0.000	1	117.8220	0.000	1	117.8220	0.000	1	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:N-3:	C-3:N-3:	N(CC[6a]N)(NC)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CN[6]S)(NCH)	N(CC[6a]N)(NC)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CN[6]S)(NCH)	120.1430	1.615	3	120.1430	2.610	3	120.1430	2.610	3	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	N-3:N-3:N-3:	C-3:N-3:	N(CNN)(NC)(H)	C(NCH)(NHH)(NHN)	N(CC[5a]H)(NCH)	N(CNN)(NC)(H)	C(NCH)(NHH)(NHN)	N(CC[5a]H)(NCH)	116.3315	0.545	2	116.3315	0.297	2	117.6180	1.847	52	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	N-3:N-3:N-3:	C-3:N-3:	N(CNN)(NC)(H)	C(NHH)(NHN)2	N(CC[6a]H)(NCH)	N(CNN)(NC)(H)	C(NHH)(NHN)2	N(CC[6a]H)(NCH)	117.7878	0.704	6	117.7878	0.495	6	117.6180	1.847	52	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	N-3:N-3:N-3:	C-3:N-3:	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CCC)(NCH)	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CCC)(NCH)	117.3807	1.776	3	117.3807	3.153	3	117.6180	1.847	52	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	N-3:N-3:N-3:	C-3:N-3:	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CC[5]H)(NCH)	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CC[5]H)(NCH)	118.6730	0.349	5	118.6730	0.122	5	117.6180	1.847	52	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	N-3:N-3:N-3:	C-3:N-3:	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CC[6]C)(NCH)	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CC[6]C)(NCH)	117.5755	0.993	2	117.5755	0.987	2	117.6180	1.847	52	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	N-3:N-3:N-3:	C-3:N-3:	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CC[6]H)(NCH)	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CC[6]H)(NCH)	116.6137	1.365	3	116.6137	1.864	3	117.6180	1.847	52	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	N-3:N-3:N-3:	C-3:N-3:	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CC[6a]C)(NCH)	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CC[6a]C)(NCH)	118.5900	0.000	1	118.5900	0.000	1	117.6180	1.847	52	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	N-3:N-3:N-3:	C-3:N-3:	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CC[6a]H)(NCH)	N(CNN)(NC)(H)	C(NHH)2(NHN)	N(CC[6a]H)(NCH)	118.0223	0.424	15	118.0223	0.180	15	117.6180	1.847	52	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	N-3:N-3:N-3:	C-3:N-3:	N(CNN)(NC)(H)	C(NHN)3	N(CC[6a]H)(NCH)	N(CNN)(NC)(H)	C(NHN)3	N(CC[6a]H)(NCH)	117.1549	2.045	15	117.1549	4.182	15	117.6180	1.847	52	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	S-3:N-3:N-3:	C-3:N-3:	N(CNS)(NC)(H)	C(SAg2)(NCH)(NHN)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(SAg2)(NCH)(NHN)	N(CC[6a]H)(NCH)	118.4610	0.000	1	118.4610	0.000	1	119.8962	1.201	4	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	S-3:N-3:N-3:	C-3:N-3:	N(CNS)(NC)(H)	C(SCu2)(NHH)(NHN)	N(CC[6a]2)(NCH)	N(CNS)(NC)(H)	C(SCu2)(NHH)(NHN)	N(CC[6a]2)(NCH)	120.6765	0.558	2	120.6765	0.311	2	119.8962	1.201	4	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:3:3:	3:3:	C-3:N-2:H-1:	S-3:N-3:N-3:	C-3:N-3:	N(CNS)(NC)(H)	C(SCu2)(NHH)(NHN)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(SCu2)(NHH)(NHN)	N(CC[6a]H)(NCH)	119.7710	0.000	1	119.7710	0.000	1	119.8962	1.201	4	117.8996	2.342	60	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:4:3:	3:3:	C-3:N-2:H-1:	C[6]-3:C-4:N-3:	C-3:N-3:	N(CC[6]C)(NC)(H)	C(C[6]C[6]2)(CH3)(NHN)	N(CC[6a]H)(NCH)	N(CC[6]C)(NC)(H)	C(C[6]C[6]2)(CH3)(NHN)	N(CC[6a]H)(NCH)	121.6370	0.000	1	121.6370	0.000	1	121.6370	0.000	1	122.1436	6.480	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:4:3:	3:3:	C-3:N-2:H-1:	C[6a]-3:C-4:N-3:	C-3:N-3:	N(CC[6a]C)(NC)(H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)	N(CN[6]S)(NCH)	N(CC[6a]C)(NC)(H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)	N(CN[6]S)(NCH)	124.4397	0.254	3	124.4397	0.065	3	124.3247	0.096	4	122.1436	6.480	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:4:3:	3:3:	C-3:N-2:H-1:	C[6a]-3:C-4:N-3:	C-3:N-3:	N(CC[6a]C)(NC)(H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)	N(CN[6]Se)(NCH)	N(CC[6a]C)(NC)(H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)	N(CN[6]Se)(NCH)	123.9800	0.000	1	123.9800	0.000	1	124.3247	0.096	4	122.1436	6.480	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:4:3:	3:3:	C-3:N-2:H-1:	N-3:C-4:N-3:	C-3:N-3:	N(CCN)(NC)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	N(CC[6a]2)(NCH)	N(CCN)(NC)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	N(CC[6a]2)(NCH)	118.3410	0.000	1	118.3410	0.000	1	119.4043	1.638	3	122.1436	6.480	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	3:4:3:	3:3:	C-3:N-2:H-1:	N-3:C-4:N-3:	C-3:N-3:	N(CCN)(NC)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	N(CC[6a]N)(NCH)	N(CCN)(NC)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	N(CC[6a]N)(NCH)	119.9360	1.257	2	119.9360	1.581	2	119.4043	1.638	3	122.1436	6.480	8	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	2:3:	C-3:N-2:H-1:	C[6]-4:N-3:O-1:	C-2:N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	N(CC[6a])(NCH)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	N(CC[6a])(NCH)	118.7200	0.000	1	118.7200	0.000	1	118.7200	0.000	1	118.7200	0.000	1	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:1:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:H-1:	N(CCO)(NH)(H)	C(CCHN)(NHN)(O)	N(NCH)(H)	N(CCO)(NH)(H)	C(CCHN)(NHN)(O)	N(NCH)(H)	121.6320	0.000	1	121.6320	0.000	1	122.7115	2.331	2	122.7115	2.331	2	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:1:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:H-1:	N(CCO)(NH)(H)	C(CC[6a]HH)(NHN)(O)	N(NCH)(H)	N(CCO)(NH)(H)	C(CC[6a]HH)(NHN)(O)	N(NCH)(H)	123.7910	0.000	1	123.7910	0.000	1	122.7115	2.331	2	122.7115	2.331	2	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCCH)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CCCH)(NHN)(O)	N(CC[6a]H)(NCH)	120.1840	0.000	1	120.1840	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCCN)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CCCN)(NHN)(O)	N(CC[6a]H)(NCH)	118.5920	1.032	2	118.5920	1.066	2	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	N(CC[5a]C)(NCH)	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	N(CC[5a]C)(NCH)	119.5295	0.220	2	119.5295	0.048	2	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	N(CC[5a]H)(NCH)	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	N(CC[5a]H)(NCH)	121.3940	0.000	1	121.3940	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	N(CC[6a]C)(NCH)	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	N(CC[6a]C)(NCH)	118.6936	1.782	7	118.6936	3.175	7	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	N(CC[6a]H)(NCH)	120.7306	1.157	26	120.7306	1.338	26	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	N(CC[6a]N)(NCH)	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	N(CC[6a]N)(NCH)	118.5203	0.761	3	118.5203	0.580	3	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCHN)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CCHN)(NHN)(O)	N(CC[6a]H)(NCH)	119.1464	1.266	7	119.1464	1.603	7	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CCHO)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CCHO)(NHN)(O)	N(CC[6a]H)(NCH)	117.8210	0.000	1	117.8210	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	N(CCC)(NCH)	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	N(CCC)(NCH)	119.4750	0.000	1	119.4750	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	N(CCH)(NCH)	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	N(CCH)(NCH)	121.2460	0.000	1	121.2460	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	N(CC[5a]H)(NCH)	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	N(CC[5a]H)(NCH)	120.7067	0.517	3	120.7067	0.267	3	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	N(CC[6a]C)(NCH)	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	N(CC[6a]C)(NCH)	119.4890	2.621	2	119.4890	6.867	2	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	N(CC[6a]H)(NCH)	120.9734	1.584	5	120.9734	2.508	5	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[6a]2O)(NHN)(O)	N(CC[5a]H)(NCH)	N(CCO)(NC)(H)	C(CC[6a]2O)(NHN)(O)	N(CC[5a]H)(NCH)	118.8470	0.000	1	118.8470	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[6a]CH)(NHN)(O)	N(CC[5a]H)(NCH)	N(CCO)(NC)(H)	C(CC[6a]CH)(NHN)(O)	N(CC[5a]H)(NCH)	120.2870	0.000	1	120.2870	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[6a]CH)(NHN)(O)	N(CC[6a]C)(NCH)	N(CCO)(NC)(H)	C(CC[6a]CH)(NHN)(O)	N(CC[6a]C)(NCH)	120.3883	0.316	7	120.3883	0.100	7	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[6a]CH)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CC[6a]CH)(NHN)(O)	N(CC[6a]H)(NCH)	119.9355	0.355	4	119.9355	0.126	4	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[6a]HH)(NHN)(O)	N(CC[6a]2)(NCH)	N(CCO)(NC)(H)	C(CC[6a]HH)(NHN)(O)	N(CC[6a]2)(NCH)	128.4763	0.089	3	128.4763	0.008	3	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[6a]HH)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CC[6a]HH)(NHN)(O)	N(CC[6a]H)(NCH)	121.6016	1.432	13	121.6016	2.052	13	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[6a]HN)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CC[6a]HN)(NHN)(O)	N(CC[6a]H)(NCH)	119.1352	0.520	8	119.1352	0.271	8	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CCC)(NCH)	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CCC)(NCH)	120.0970	0.130	2	120.0970	0.017	2	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[5a]C)(NCH)	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[5a]C)(NCH)	119.1950	0.044	2	119.1950	0.002	2	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[5a]H)(NCH)	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[5a]H)(NCH)	121.8210	0.000	1	121.8210	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[5a]N)(NCH)	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[5a]N)(NCH)	117.5140	0.000	1	117.5140	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[6a]C)(NCH)	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[6a]C)(NCH)	119.5475	0.972	11	119.5475	0.945	11	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[6a]H)(NCH)	121.1182	1.067	15	121.1182	1.139	15	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[6a]O)(NCH)	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	N(CC[6a]O)(NCH)	119.4850	0.936	2	119.4850	0.876	2	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CHHN)(NHN)(O)	N(CCC)(NCH)	N(CCO)(NC)(H)	C(CHHN)(NHN)(O)	N(CCC)(NCH)	119.7770	0.000	1	119.7770	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CHHN)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CHHN)(NHN)(O)	N(CC[6a]H)(NCH)	119.8138	0.603	12	119.8138	0.363	12	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	N(CCC)(NCH)	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	N(CCC)(NCH)	120.6430	0.000	1	120.6430	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	N(CC[5]H)(NCH)	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	N(CC[5]H)(NCH)	119.0903	0.607	3	119.0903	0.368	3	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	N(CC[5a]O)(NCH)	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	N(CC[5a]O)(NCH)	121.3330	0.000	1	121.3330	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	N(CC[6a]C)(NCH)	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	N(CC[6a]C)(NCH)	117.6140	1.146	2	117.6140	1.312	2	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	N(CC[6a]H)(NCH)	119.0466	1.349	10	119.0466	1.821	10	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CHHS)(NHN)(O)	N(CCC)(NCH)	N(CCO)(NC)(H)	C(CHHS)(NHN)(O)	N(CCC)(NCH)	119.1030	0.000	1	119.1030	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CHHS)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CHHS)(NHN)(O)	N(CC[6a]H)(NCH)	120.5663	0.622	3	120.5663	0.387	3	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	N(CCC)(NCH)	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	N(CCC)(NCH)	117.0930	0.000	1	117.0930	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	N(CC[5a]H)(NCH)	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	N(CC[5a]H)(NCH)	119.4220	0.000	1	119.4220	0.000	1	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	N(CC[6a]2)(NCH)	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	N(CC[6a]2)(NCH)	118.1925	0.934	2	118.1925	0.873	2	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	N(CC[6a]C)(NCH)	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	N(CC[6a]C)(NCH)	119.4283	0.218	3	119.4283	0.047	3	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	N(CC[6a]H)(NCH)	120.0730	1.336	5	120.0730	1.785	5	120.1464	3.111	179	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C[3]-4:N-3:O-1:	C-3:N-3:	N(CC[3]O)(NC)(H)	C(C[3]C[3,5]C[3]H)(NHN)(O)	N(CC[6a]2)(NCH)	N(CC[3]O)(NC)(H)	C(C[3]C[3,5]C[3]H)(NHN)(O)	N(CC[6a]2)(NCH)	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C[3x6]-4:N-3:O-1:	C-3:N-3:	N(CC[3x6]O)(NC)(H)	C(C[3x6]C[6,6]3)(NHN)(O)	N(CC[5a]H)(NCH)	N(CC[3x6]O)(NC)(H)	C(C[3x6]C[6,6]3)(NHN)(O)	N(CC[5a]H)(NCH)	117.0010	0.380	2	117.0010	0.145	2	117.0010	0.145	2	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C[5,6]-4:N-3:O-1:	C[5,6]-3:N-3:	N(CC[5,6]O)(NC[5,6])(H)	C(C[5,6]C[5,5,6]2H)(NHN)(O)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	N(CC[5,6]O)(NC[5,6])(H)	C(C[5,6]C[5,5,6]2H)(NHN)(O)	N(C[5,6]C[5,5,6]C[5,6])(NCH)	119.4045	0.505	8	119.4045	0.255	8	119.4045	0.255	8	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C[5]-4:N-3:O-1:	C-3:N-3:	N(CC[5]O)(NC)(H)	C(C[5]C[5]2Fe)(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[5]O)(NC)(H)	C(C[5]C[5]2Fe)(NHN)(O)	N(CC[6a]H)(NCH)	119.4340	0.000	1	119.4340	0.000	1	119.9345	0.501	2	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C[5]-4:N-3:O-1:	C-3:N-3:	N(CC[5]O)(NC)(H)	C(C[5]C[5]2H)(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[5]O)(NC)(H)	C(C[5]C[5]2H)(NHN)(O)	N(CC[6a]H)(NCH)	120.4350	0.000	1	120.4350	0.000	1	119.9345	0.501	2	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C[6]-4:N-3:O-1:	C-3:N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6,6a]2H)(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[6]O)(NC)(H)	C(C[6]C[6,6a]2H)(NHN)(O)	N(CC[6a]H)(NCH)	117.9930	0.000	1	117.9930	0.000	1	119.3295	2.151	24	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C[6]-4:N-3:O-1:	C-3:N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	N(CC[6a]H)(NCH)	119.4810	1.507	21	119.4810	2.272	21	119.3295	2.151	24	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C[6]-4:N-3:O-1:	C-3:N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	N(CC[6a]N)(NCH)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	N(CC[6a]N)(NCH)	118.4060	0.252	2	118.4060	0.063	2	119.3295	2.151	24	120.0026	2.990	216	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:2:	3:3:	C-3:N-2:H-1:	C-4:N-3:N-2:	C-3:N-3:	N(CCN)(NC)(H)	C(CF3)(NHN)(NO)	N(CClC)(NCH)	N(CCN)(NC)(H)	C(CF3)(NHN)(NO)	N(CClC)(NCH)	120.7460	0.000	1	120.7460	0.000	1	120.7460	0.000	1	120.7460	0.000	1	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:3:	3:3:	C-3:N-2:H-1:	C-4:C-3:N-3:	C-3:N-3:	N(CCC)(NC)(H)	C(CH3)(CCH)(NHN)	N(CNS)(NCH)	N(CCC)(NC)(H)	C(CH3)(CCH)(NHN)	N(CNS)(NCH)	121.5610	0.000	1	121.5610	0.000	1	121.5610	0.000	1	121.1715	0.303	2	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:3:3:	3:3:	C-3:N-2:H-1:	C-4:N-3:N-3:	C-3:N-3:	N(CCN)(NC)(H)	C(CC[5a]HH)(NC[6a]H)(NHN)	N(CC[6a]H)(NCH)	N(CCN)(NC)(H)	C(CC[5a]HH)(NC[6a]H)(NHN)	N(CC[6a]H)(NCH)	120.7820	0.000	1	120.7820	0.000	1	120.7820	0.000	1	121.1715	0.303	2	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:1:	4:4:3:	4:3:	C-3:N-2:O-1:	C-4:C-4:N-3:	C-4:N-3:	N(CCC)(NC)(O)	C(CH3)2(NNO)	N(CCHH)(NCO)	N(CCC)(NC)(O)	C(CH3)2(NNO)	N(CCHH)(NCO)	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:2:2:	4:3:1:	3:3:	C-3:N-2:S-2:	C-4:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(SS)	C(CH3)(NNS)(O)	N(CC[6a]H)(NCS)	N(CCO)(NC)(SS)	C(CH3)(NNS)(O)	N(CC[6a]H)(NCS)	115.7235	0.173	2	115.7235	0.030	2	115.7235	0.030	2	115.7235	0.030	2	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:3:2:	3:2:1:	3:3:	C-3:C-3:N-2:	N-3:O-2:O-1:	C-3:N-3:	N(COO)2(NC)	C(NCN)(OC)(O)	N(CC[6a]C)(NCC)	N(COO)2(NC)	C(NCN)(OC)(O)	N(CC[6a]C)(NCC)	116.8277	3.399	4	116.8277	11.552	4	116.8277	11.552	4	116.3072	10.019	5	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:N-2:	N-3:O-2:O-1:	N-3:C-3:	N(C[6a]C[6a]2)(COO)(NC)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(CCH)	N(C[6a]C[6a]2)(COO)(NC)	C(NC[6a]N)(OC)(O)	N(NC[6a]C)(CCH)	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	116.3072	10.019	5	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	N-3:C-3:O-1:	C-3:N-3:	N(C[6a]C[6a]N[6a])(CCO)(NC)	C(NC[6a]N)(CCH)(O)	N(CC[6a]2)(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C(NC[6a]N)(CCH)(O)	N(CC[6a]2)(NC[6a]C)	116.9560	0.989	3	116.9560	0.979	3	116.9560	0.979	3	116.9560	0.979	3	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:3:2:	3:3:2:	3:3:	C[6a]-3:C-3:N-2:	C[5a]-3:N-3:N-2:	C-3:N-3:	N(C[6a]C[6a]2)(CC[5a]N)(NC)	C(C[5a]C[5a]S[5a])(NC[6a]N)(NN)	N(CC[5a]H)(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]N)(NC)	C(C[5a]C[5a]S[5a])(NC[6a]N)(NN)	N(CC[5a]H)(NC[6a]C)	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:3:2:	3:3:3:	3:3:	C-3:C-3:N-2:	C-3:C-3:N-3:	C-3:N-3:	N(CCC)(CCO)(NC)	C(CCS)(COO)(NCN)	N(CC[6a]C)(NCC)	N(CCC)(CCO)(NC)	C(CCS)(COO)(NCN)	N(CC[6a]C)(NCC)	115.9935	1.884	2	115.9935	3.551	2	115.9935	3.551	2	115.9935	3.551	2	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:3:2:	3:4:1:	3:3:	C[6a]-3:C-3:N-2:	N-3:C-4:O-1:	C-3:N-3:	N(C[6a]C[6a]2)(CCO)(NC)	C(NC[6a]N)(CC3)(O)	N(CC[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(NC)	C(NC[6a]N)(CC3)(O)	N(CC[6a]H)(NC[6a]C)	119.1733	1.110	3	119.1733	1.232	3	118.5793	2.233	4	118.5793	2.233	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:3:2:	3:4:1:	3:3:	C[6a]-3:C-3:N-2:	N-3:C-4:O-1:	C-3:N-3:	N(C[6a]C[6a]2)(CCO)(NC)	C(NC[6a]N)(CF3)(O)	N(CC[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(NC)	C(NC[6a]N)(CF3)(O)	N(CC[6a]H)(NC[6a]C)	116.7970	0.000	1	116.7970	0.000	1	118.5793	2.233	4	118.5793	2.233	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:3:2:	4:3:1:	3:3:	C-3:C-3:N-2:	C-4:N-3:O-1:	C-3:N-3:	N(CCC)(CCO)(NC)	C(CH3)(NCN)(O)	N(CC[6a]C)(NCC)	N(CCC)(CCO)(NC)	C(CH3)(NCN)(O)	N(CC[6a]C)(NCC)	119.1950	2.779	2	119.1950	7.722	2	119.1950	7.722	2	119.1950	7.722	2	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:3:2:	4:3:2:	3:3:	C[6a]-3:C-3:N-2:	C-4:N-3:N-2:	C-3:N-3:	N(C[6a]C[6a]2)(CCN)(NC)	C(CC[6a]HH)(NC[6a]N)(NS)	N(CC[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(NC)	C(CC[6a]HH)(NC[6a]N)(NS)	N(CC[6a]H)(NC[6a]C)	117.7650	0.000	1	117.7650	0.000	1	117.7650	0.000	1	117.7650	0.000	1	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:4:2:	3:3:1:	3:3:	C-3:C-4:N-2:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(CCHH)(NC)	C(C[6a]C[6a]2)(NCN)(O)	N(CCH)(NCC)	N(CC[6a]O)(CCHH)(NC)	C(C[6a]C[6a]2)(NCN)(O)	N(CCH)(NCC)	117.7010	0.000	1	117.7010	0.000	1	119.6047	13.936	10	119.6047	13.936	10	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:4:2:	3:3:1:	3:3:	C-3:C-4:N-2:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]H)(NCC)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	N(CC[6a]H)(NCC)	118.0820	0.000	1	118.0820	0.000	1	119.6047	13.936	10	119.6047	13.936	10	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:4:2:	3:3:1:	3:3:	C-3:C-4:N-2:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	N(CHN)(NCC)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	N(CHN)(NCC)	126.0465	0.064	2	126.0465	0.004	2	119.6047	13.936	10	119.6047	13.936	10	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:4:2:	3:3:1:	3:3:	C-3:C-4:N-2:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	N(CSS)(NCC)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	N(CSS)(NCC)	120.6380	0.741	2	120.6380	0.549	2	119.6047	13.936	10	119.6047	13.936	10	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:4:2:	3:3:1:	3:3:	C-3:C-4:N-2:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]N[6a])(NCN)(O)	N(CC[6a]H)(NCC)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]N[6a])(NCN)(O)	N(CC[6a]H)(NCC)	116.7237	0.447	4	116.7237	0.199	4	119.6047	13.936	10	119.6047	13.936	10	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	3:4:2:	4:3:1:	3:3:	C-3:C-4:N-2:	C[5]-4:N-3:O-1:	C-3:N-3:	N(CC[5]O)(CH3)(NC)	C(C[5]C[5]N[5]H)(NCN)(O)	N(CC[6a]H)(NCC)	N(CC[5]O)(CH3)(NC)	C(C[5]C[5]N[5]H)(NCN)(O)	N(CC[6a]H)(NCC)	116.1000	0.627	4	116.1000	0.393	4	116.1000	0.393	4	116.1000	0.393	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	N-3:S-2:S-1:	C-3:N-3:	N(CH3)(CSS)(NC)	C(NCN)(SC)(S)	N(CC[5a]H)(NCC)	N(CH3)(CSS)(NC)	C(NCN)(SC)(S)	N(CC[5a]H)(NCC)	115.8640	0.000	1	115.8640	0.000	1	117.0138	1.712	4	118.2419	3.362	7	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	N-3:S-2:S-1:	C-3:N-3:	N(CH3)(CSS)(NC)	C(NCN)(SC)(S)	N(CC[6a]H)(NCC)	N(CH3)(CSS)(NC)	C(NCN)(SC)(S)	N(CC[6a]H)(NCC)	116.1530	0.000	1	116.1530	0.000	1	117.0138	1.712	4	118.2419	3.362	7	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	N-3:S-2:S-1:	C-3:N-3:	N(CH3)(CSS)(NC)	C(NCN)(SC)(S)	N(CC[6a]N)(NCC)	N(CH3)(CSS)(NC)	C(NCN)(SC)(S)	N(CC[6a]N)(NCC)	118.0190	1.025	2	118.0190	1.051	2	117.0138	1.712	4	118.2419	3.362	7	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:2:1:	3:3:	C[5]-4:C-3:N-2:	N-3:O-2:O-1:	N-3:C-3:	N(C[5]C[5]2H)(COO)(NC)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)	N(C[5]C[5]2H)(COO)(NC)	C(NC[5]N)(OC)(O)	N(NC[5]C)(COO)	119.9440	0.000	1	119.9440	0.000	1	119.9440	0.000	1	118.2419	3.362	7	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:2:1:	3:3:	C[6]-4:C-3:N-2:	N-3:O-2:O-1:	C-3:N-3:	N(C[6]C[6,6a]N[6]H)(COO)(NC)	C(NC[6]N)(OC)(O)	N(CC[6a]C)(NC[6]C)	N(C[6]C[6,6a]N[6]H)(COO)(NC)	C(NC[6]N)(OC)(O)	N(CC[6a]C)(NC[6]C)	120.5380	0.000	1	120.5380	0.000	1	120.5380	0.000	1	118.2419	3.362	7	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:2:1:	3:3:	P[4]-4:C-3:N-2:	N-3:O-2:O-1:	N-3:C-3:	N(P[4]N[4]2N)(COO)(NC)	C(NP[4]N)(OC)(O)	N(NP[4]C)(COO)	N(P[4]N[4]2N)(COO)(NC)	C(NP[4]N)(OC)(O)	N(NP[4]C)(COO)	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	118.2419	3.362	7	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:3:1:	3:1:	C-4:C-3:N-2:	C-3:N-3:O-1:	N-3:O-1:	N(CH3)(CCO)(NO)	C(CCH)(NCN)(O)	N(NCC)(O)	N(CH3)(CCO)(NO)	C(CCH)(NCN)(O)	N(NCC)(O)	116.4510	0.000	1	116.4510	0.000	1	116.4510	0.000	1	117.0080	1.308	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:3:1:	3:1:	C-4:C-3:N-2:	N-3:N-3:O-1:	N-3:O-1:	N(CCHH)(CNO)(NO)	C(NC[6a]H)(NCN)(O)	N(NCC)(O)	N(CCHH)(CNO)(NO)	C(NC[6a]H)(NCN)(O)	N(NCC)(O)	116.4870	0.717	2	116.4870	0.514	2	116.4870	0.514	2	117.0080	1.308	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:3:1:	3:1:	S-4:C-3:N-2:	C[6a]-3:N-3:O-1:	N-3:H-1:	N(SC[6]OO)(CC[6a]O)(NH)	C(C[6a]C[6a]2)(NNS)(O)	N(NCS)(H)	N(SC[6]OO)(CC[6a]O)(NH)	C(C[6a]C[6a]2)(NNS)(O)	N(NCS)(H)	118.6070	0.000	1	118.6070	0.000	1	118.6070	0.000	1	117.0080	1.308	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	N-3:N-3:O-1:	C-3:N-3:	N(CH3)(CNO)(NC)	C(NCH)(NCN)(O)	N(CC[6a]H)(NCC)	N(CH3)(CNO)(NC)	C(NCH)(NCN)(O)	N(CC[6a]H)(NCC)	116.1620	0.000	1	116.1620	0.000	1	116.1620	0.000	1	118.4253	27.626	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	N-3:N-3:S-1:	C-3:N-3:	N(CH3)(CNS)(NC)	C(NCH)(NCN)(S)	N(CC[6a]C)(NCC)	N(CH3)(CNS)(NC)	C(NCH)(NCN)(S)	N(CC[6a]C)(NCC)	126.2740	0.000	1	126.2740	0.000	1	119.1797	38.024	3	118.4253	27.626	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	N-3:N-3:S-1:	C-3:N-3:	N(CH3)(CNS)(NC)	C(NCN)(NHH)(S)	N(CC[6a]H)(NCC)	N(CH3)(CNS)(NC)	C(NCN)(NHH)(S)	N(CC[6a]H)(NCC)	115.6325	0.745	2	115.6325	0.554	2	119.1797	38.024	3	118.4253	27.626	4	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:3:2:	3:3:	C-4:C-3:N-2:	N-3:N-3:N-2:	C-3:N-3:	N(CC[6a]HH)(CNN)(NC)	C(NCN)(NHH)(NN)	N(CCH)(NCC)	N(CC[6a]HH)(CNN)(NC)	C(NCN)(NHH)(NN)	N(CCH)(NCC)	114.0060	0.000	1	114.0060	0.000	1	114.0060	0.000	1	114.0060	0.000	1	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	3:4:1:	3:3:	C[6]-4:C-3:N-2:	N-3:C-4:O-1:	C-3:N-3:	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	C(NC[6]N)(CH3)(O)	N(CC[6a]C)(NC[6]C)	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	C(NC[6]N)(CH3)(O)	N(CC[6a]C)(NC[6]C)	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	4:3:1:	3:3:	C-4:C-3:N-2:	C-4:N-3:O-1:	C-3:N-3:	N(CCHH)(CCO)(NC)	C(CH3)(NCN)(O)	N(CC[6a]H)(NCC)	N(CCHH)(CCO)(NC)	C(CH3)(NCN)(O)	N(CC[6a]H)(NCC)	116.8340	0.157	3	116.8340	0.025	3	116.7626	0.218	8	117.2688	2.496	9	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	4:3:1:	3:3:	C-4:C-3:N-2:	C-4:N-3:O-1:	C-3:N-3:	N(CH3)(CCO)(NC)	C(CCHN)(NCN)(O)	N(CC[6a]H)(NCC)	N(CH3)(CCO)(NC)	C(CCHN)(NCN)(O)	N(CC[6a]H)(NCC)	116.4700	0.892	2	116.4700	0.796	2	116.7626	0.218	8	117.2688	2.496	9	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	4:3:1:	3:3:	C-4:C-3:N-2:	C-4:N-3:O-1:	C-3:N-3:	N(CH3)(CCO)(NC)	C(CC[5a]HH)(NCN)(O)	N(CC[6a]H)(NCC)	N(CH3)(CCO)(NC)	C(CC[5a]HH)(NCN)(O)	N(CC[6a]H)(NCC)	116.8863	0.472	3	116.8863	0.222	3	116.7626	0.218	8	117.2688	2.496	9	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP2_SP2_SP2	N	C	N	4:3:2:	4:3:1:	3:3:	S-4:C-3:N-2:	C-4:N-3:O-1:	C-3:N-3:	N(SC[6a]OO)(CCO)(NC)	C(CCHH)(NNS)(O)	N(CC[5]C)(NCS)	N(SC[6a]OO)(CCO)(NC)	C(CCHH)(NNS)(O)	N(CC[5]C)(NCS)	121.3180	0.000	1	121.3180	0.000	1	121.3180	0.000	1	117.2688	2.496	9	119.1973	2.760	2229	119.1973	2.760	2229
956	930	941	0:SP3_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[6]-3:N-3:	N(NC[6])(CNS)(H)	C(NCH)(NHN)(S)	N(C[6]C[6]2)(NCH)	N(NC[6])(CNS)(H)	C(NCH)(NHN)(S)	N(C[6]C[6]2)(NCH)	116.1735	0.080	2	116.1735	0.006	2	117.1670	1.757	4	117.1670	1.757	4	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[6]-3:N-3:	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6]C[6,6a]C[6])(NCH)	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6]C[6,6a]C[6])(NCH)	117.3490	0.000	1	117.3490	0.000	1	117.1670	1.757	4	117.1670	1.757	4	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	2:3:1:	3:3:1:	3:3:	N-2:C-3:H-1:	N-3:N-3:S-1:	C[6]-3:N-3:	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6]C[6]2)(NCH)	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6]C[6]2)(NCH)	118.9720	0.000	1	118.9720	0.000	1	117.1670	1.757	4	117.1670	1.757	4	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:O-2:O-1:	C-3:N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CCC)(NCH)	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CCC)(NCH)	117.1220	0.000	1	117.1220	0.000	1	117.0735	0.005	2	117.0735	0.005	2	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:2:1:	3:3:	C-3:N-2:H-1:	N-3:O-2:O-1:	C-3:N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[6a]C)(NCH)	N(COO)(NC)(H)	C(NHN)(OC)(O)	N(CC[6a]C)(NCH)	117.0250	0.000	1	117.0250	0.000	1	117.0735	0.005	2	117.0735	0.005	2	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C-3:N-3:O-1:	C-3:N-3:	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	N(CC[6a]H)(NCH)	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	N(CC[6a]H)(NCH)	120.3020	0.000	1	120.3020	0.000	1	120.3020	0.000	1	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCC)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCC)(NCH)	116.0595	2.466	2	116.0595	6.080	2	117.4919	3.072	16	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCH)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CCH)(NCH)	117.6540	0.000	1	117.6540	0.000	1	117.4919	3.072	16	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]2)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[5a]2)(NCH)	115.7665	0.279	2	115.7665	0.078	2	117.4919	3.072	16	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]C)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]C)(NCH)	116.5712	0.503	5	116.5712	0.253	5	117.4919	3.072	16	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]H)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CC[6a]H)(NCH)	119.2820	1.152	5	119.2820	1.327	5	117.4919	3.072	16	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNS)(NCH)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	N(CNS)(NCH)	119.2980	0.000	1	119.2980	0.000	1	117.4919	3.072	16	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5,6a]2)(NCH)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]C[5,6a]2)(NCH)	118.9900	0.000	1	118.9900	0.000	1	117.1530	2.532	3	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]S[5]2)(NCH)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5]S[5]2)(NCH)	116.2345	0.052	2	116.2345	0.003	2	117.1530	2.532	3	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	C[5a]-3:N-3:	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5a]C[5a,6a]N[5a])(NCH)	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	N(C[5a]C[5a,6a]N[5a])(NCH)	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:O-1:	C-3:N-3:	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[5a]C[6a])(NCH)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(CC[5a]C[6a])(NCH)	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CCC)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CCC)(NCH)	118.5740	1.022	3	118.5740	1.044	3	118.8099	1.055	7	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[5a]C[6a])(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[5a]C[6a])(NCH)	118.2370	0.833	2	118.2370	0.694	2	118.8099	1.055	7	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[6a]H)(NCH)	120.4470	0.000	1	120.4470	0.000	1	118.8099	1.055	7	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:1:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-1:	C-3:N-3:	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(CC[6a]H)(NCH)	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(CC[6a]H)(NCH)	119.0260	0.000	1	119.0260	0.000	1	118.8099	1.055	7	117.7968	2.771	29	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	3:3:2:	3:3:	C-3:N-2:H-1:	N-3:N-3:S-2:	C-3:N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(SAg)	N(CC[6a]C)(NCH)	N(CNS)(NC)(H)	C(NCH)(NHN)(SAg)	N(CC[6a]C)(NCH)	118.8820	0.133	2	118.8820	0.018	2	118.8820	0.018	2	118.8820	0.018	2	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:1:	4:3:1:	3:3:	C-3:N-2:H-1:	C[6]-4:N-3:O-1:	C-3:N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	N(CC[6a]N)(NCH)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	N(CC[6a]N)(NCH)	117.9280	0.000	1	117.9280	0.000	1	117.9280	0.000	1	117.9280	0.000	1	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:2:4:	3:3:1:	3:3:	C-3:N-2:C-4:	C[6a]-3:N-3:O-1:	C[5]-3:N-3:	N(CC[6a]O)(NC[5])(CH3)	C(C[6a]C[6a]2)(NCN)(O)	N(C[5]S[5]2)(NCC)	N(CC[6a]O)(NC[5])(CH3)	C(C[6a]C[6a]2)(NCN)(O)	N(C[5]S[5]2)(NCC)	119.2830	0.000	1	119.2830	0.000	1	119.2830	0.000	1	119.2830	0.000	1	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:3:2:	3:3:1:	3:3:	C[6a]-3:C-3:N-2:	N-3:C-3:O-1:	C-3:N-3:	N(C[6a]C[6a]N[6a])(CCO)(NC)	C(NC[6a]N)(CCH)(O)	N(CC[6a]2)(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C(NC[6a]N)(CCH)(O)	N(CC[6a]2)(NC[6a]C)	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	3:4:2:	3:3:1:	3:3:	C-3:C-4:N-2:	C[6a]-3:N-3:O-1:	C-3:N-3:	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	N(CSS)(NCC)	N(CC[6a]O)(CH3)(NC)	C(C[6a]C[6a]2)(NCN)(O)	N(CSS)(NCC)	117.8730	0.000	1	117.8730	0.000	1	117.8730	0.000	1	117.8730	0.000	1	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	4:3:2:	2:3:2:	3:3:	C-4:C-3:N-2:	N-2:N-3:S-2:	C-3:N-3:	N(CH3)(CNS)(NC)	C(NC[5a])(NCN)(SC)	N(CC[5a]C[6a])(NCC)	N(CH3)(CNS)(NC)	C(NC[5a])(NCN)(SC)	N(CC[5a]C[6a])(NCC)	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	4:3:2:	3:2:1:	3:3:	C-4:C-3:N-2:	N-3:S-2:S-1:	C-3:N-3:	N(CH3)(CSS)(NC)	C(NCN)(SC)(S)	N(CC[6a]N)(NCC)	N(CH3)(CSS)(NC)	C(NCN)(SC)(S)	N(CC[6a]N)(NCC)	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	117.5646	2.896	44	117.5646	2.896	44
956	930	941	0:SP3_SP2_SP2	N	C	N	4:3:2:	3:3:1:	3:3:	C-4:C-3:N-2:	N-3:N-3:O-1:	C-3:N-3:	N(CC[6a]HH)(CNO)(NC)	C(NC[6a]C)(NCN)(O)	N(CC[6a]C)(NCC)	N(CC[6a]HH)(CNO)(NC)	C(NC[6a]C)(NCN)(O)	N(CC[6a]C)(NCC)	116.2300	0.000	1	116.2300	0.000	1	116.2300	0.000	1	116.2300	0.000	1	117.5646	2.896	44	117.5646	2.896	44
956	930	945	0:SP2_SP2_SP3	N	C	P	3:3:1:	3:2:3:	4:4:3:	C-3:P-3:H-1:	C[6a]-3:N-2:N-3:	C-4:C-4:N-3:	N(CC[6a]N)(PCC)(H)	C(C[6a]C[6a]2)(NC[6a])(NHP)	P(CC3)2(NCH)	N(CC[6a]N)(PCC)(H)	C(C[6a]C[6a]2)(NC[6a])(NHP)	P(CC3)2(NCH)	129.7090	0.092	2	129.7090	0.008	2	129.7090	0.008	2	129.7090	0.008	2	122.2954	28.833	11	122.2954	28.833	11
956	930	945	0:SP2_SP2_SP3	N	C	P	3:3:1:	3:3:1:	3:3:3:	P-3:C-3:H-1:	N-3:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N(PC[6a]2)(CNO)(H)	C(NCC)(NHP)(O)	P(C[6a]C[6a]2)2(NCH)	N(PC[6a]2)(CNO)(H)	C(NCC)(NHP)(O)	P(C[6a]C[6a]2)2(NCH)	119.5810	1.228	2	119.5810	1.507	2	119.5810	1.507	2	119.5810	1.507	2	122.2954	28.833	11	122.2954	28.833	11
956	930	945	0:SP2_SP2_SP3	N	C	P	3:3:1:	4:3:1:	3:3:3:	P-3:C-3:H-1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N(PC[6a]2)(CCO)(H)	C(CH3)(NHP)(O)	P(C[6a]C[6a]2)2(NCH)	N(PC[6a]2)(CCO)(H)	C(CH3)(NHP)(O)	P(C[6a]C[6a]2)2(NCH)	122.3640	0.000	1	122.3640	0.000	1	122.3640	0.000	1	122.3640	0.000	1	122.2954	28.833	11	122.2954	28.833	11
956	930	945	0:SP2_SP2_SP3	N	C	P	3:3:1:	4:3:3:	4:4:3:	C-3:P-3:H-1:	C-4:C-3:N-3:	C-4:C-4:N-3:	N(CCC)(PCC)(H)	C(CH3)(CCH)(NHP)	P(CC3)2(NCH)	N(CCC)(PCC)(H)	C(CH3)(CCH)(NHP)	P(CC3)2(NCH)	126.3970	0.000	1	126.3970	0.000	1	126.3970	0.000	1	126.3970	0.000	1	122.2954	28.833	11	122.2954	28.833	11
956	930	945	0:SP2_SP2_SP3	N	C	P	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:P-3:C-3:	N-3:O-2:O-2:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(COO)	C(NC[6a]P)(OAl)2	P(C[6a]C[6a]2)2(NC[6a]C)	N(C[6a]C[6a]2)(PC[6a]2)(COO)	C(NC[6a]P)(OAl)2	P(C[6a]C[6a]2)2(NC[6a]C)	115.9290	0.000	1	115.9290	0.000	1	115.9290	0.000	1	115.9290	0.000	1	122.2954	28.833	11	122.2954	28.833	11
956	930	945	0:SP2_SP2_SP3	N	C	P	3:4:3:	2:3:3:	3:3:3:	P-3:C-4:C-3:	N-2:N-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(PC[6a]2)(CCCH)(CNN)	C(NC[6a])(NCH)(NCP)	P(C[6a]C[6a]2)2(NCC)	N(PC[6a]2)(CCCH)(CNN)	C(NC[6a])(NCH)(NCP)	P(C[6a]C[6a]2)2(NCC)	114.7760	0.000	1	114.7760	0.000	1	114.7760	0.000	1	114.7760	0.000	1	122.2954	28.833	11	122.2954	28.833	11
956	930	945	0:SP2_SP2_SP3	N	C	P	3:4:3:	3:3:1:	3:3:3:	P-3:C-4:C-3:	N-3:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N(PC[6a]2)(CH3)(CNO)	C(NCH)(NCP)(O)	P(C[6a]C[6a]2)2(NCC)	N(PC[6a]2)(CH3)(CNO)	C(NCH)(NCP)(O)	P(C[6a]C[6a]2)2(NCC)	122.7760	0.000	1	122.7760	0.000	1	122.7760	0.000	1	122.7760	0.000	1	122.2954	28.833	11	122.2954	28.833	11
956	930	945	0:SP2_SP2_SP3	N	C	P	4:3:3:	3:2:4:	3:3:3:	C[6]-4:P-3:C-3:	N-3:N-2:C-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]2H)(PC[6a]2)(CCN)	C(NC[6]P)(NC[6])(CH3)	P(C[6a]C[6a]2)2(NC[6]C)	N(C[6]C[6]2H)(PC[6a]2)(CCN)	C(NC[6]P)(NC[6])(CH3)	P(C[6a]C[6a]2)2(NC[6]C)	127.1130	0.000	1	127.1130	0.000	1	127.1130	0.000	1	127.1130	0.000	1	122.2954	28.833	11	122.2954	28.833	11
956	930	945	0:SP2_SP2_SP3	N	C	P	4:3:3:	3:3:2:	3:3:3:	C[6]-4:P-3:C-3:	N[6]-3:N-3:N-2:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6]P)(NC[6])	P(C[6a]C[6a]2)2(NC[6]C)	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	C(N[6]C[6]2)(NC[6]P)(NC[6])	P(C[6a]C[6a]2)2(NC[6]C)	117.3140	0.000	1	117.3140	0.000	1	117.3140	0.000	1	117.3140	0.000	1	122.2954	28.833	11	122.2954	28.833	11
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	2:3:1:	3:	N-2:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(NC[5])(COO)(H)	C(OC[6a])(NHN)(O)	H(NCN)	N(NC[5])(COO)(H)	C(OC[6a])(NHN)(O)	H(NCN)	119.3680	0.000	1	119.3680	0.000	1	119.3680	0.000	1	119.3680	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:2:1:	3:	N-2:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(NC[6])(CNO)(H)	C(NHN)(NH)(O)	H(NCN)	N(NC[6])(CNO)(H)	C(NHN)(NH)(O)	H(NCN)	119.6930	0.000	1	119.6930	0.000	1	119.6930	0.000	1	120.5319	2.892	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:2:1:	3:	N-2:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[5])(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[5])(COO)(H)	C(NHN)(OC)(O)	H(NCN)	122.5680	0.000	1	122.5680	0.000	1	121.1600	1.607	3	120.5319	2.892	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:2:1:	3:	N-2:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[6,6])(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[6,6])(COO)(H)	C(NHN)(OC)(O)	H(NCN)	120.1100	0.000	1	120.1100	0.000	1	121.1600	1.607	3	120.5319	2.892	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:2:1:	3:	N-2:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[6])(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[6])(COO)(H)	C(NHN)(OC)(O)	H(NCN)	120.8020	0.000	1	120.8020	0.000	1	121.1600	1.607	3	120.5319	2.892	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:2:1:	3:	N-2:C-3:H-1:	N-3:S-2:S-1:	N-3:	N(NC[5])(CSS)(H)	C(NHN)(SC)(S)	H(NCN)	N(NC[5])(CSS)(H)	C(NHN)(SC)(S)	H(NCN)	123.4370	0.000	1	123.4370	0.000	1	120.2705	4.956	4	120.5319	2.892	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:2:1:	3:	N-2:C-3:H-1:	N-3:S-2:S-1:	N-3:	N(NC[6])(CSS)(H)	C(NHN)(SC)(S)	H(NCN)	N(NC[6])(CSS)(H)	C(NHN)(SC)(S)	H(NCN)	119.2150	0.866	3	119.2150	0.750	3	120.2705	4.956	4	120.5319	2.892	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(NC[6])(CCO)(H)	C(CNO)(NHN)(O)	H(NCN)	N(NC[6])(CCO)(H)	C(CNO)(NHN)(O)	H(NCN)	117.7180	0.000	1	117.7180	0.000	1	117.7180	0.000	1	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(NC[5,6])(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	N(NC[5,6])(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	112.1910	0.000	1	112.1910	0.000	1	117.1628	8.772	6	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(NC[5])(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	N(NC[5])(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	116.8935	0.330	2	116.8935	0.109	2	117.1628	8.772	6	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(NC[6,6])(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	N(NC[6,6])(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	120.6150	0.000	1	120.6150	0.000	1	117.1628	8.772	6	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(NC[6])(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	N(NC[6])(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	118.1920	2.202	2	118.1920	4.848	2	117.1628	8.772	6	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[5,6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	N(NC[5,6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	119.6880	0.000	1	119.6880	0.000	1	118.9754	4.720	64	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[5,6])(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	N(NC[5,6])(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	120.4340	0.051	2	120.4340	0.003	2	118.9754	4.720	64	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[5])(CNS)(H)	C(NCH)(NHN)(S)	H(NCN)	N(NC[5])(CNS)(H)	C(NCH)(NHN)(S)	H(NCN)	118.5309	3.251	16	118.5309	10.566	16	118.9754	4.720	64	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[5])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	N(NC[5])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	119.3061	1.112	18	119.3061	1.237	18	118.9754	4.720	64	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[5])(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	N(NC[5])(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	120.2554	0.636	8	120.2554	0.405	8	118.9754	4.720	64	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[6])(CNS)(H)	C(NCH)(NHN)(S)	H(NCN)	N(NC[6])(CNS)(H)	C(NCH)(NHN)(S)	H(NCN)	119.3789	1.886	7	119.3789	3.558	7	118.9754	4.720	64	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	120.0750	0.000	1	120.0750	0.000	1	118.9754	4.720	64	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[6])(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	N(NC[6])(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	117.4635	2.078	11	117.4635	4.317	11	118.9754	4.720	64	118.8045	5.149	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	3:3:2:	3:	N-2:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NC[5])(CNS)(H)	C(NCH)(NHN)(SCu)	H(NCN)	N(NC[5])(CNS)(H)	C(NCH)(NHN)(SCu)	H(NCN)	120.7430	0.000	1	120.7430	0.000	1	120.7430	0.000	1	120.7430	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	4:3:1:	3:	N-2:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(NC[5])(CCO)(H)	C(CC[6a]CH)(NHN)(O)	H(NCN)	N(NC[5])(CCO)(H)	C(CC[6a]CH)(NHN)(O)	H(NCN)	120.9300	0.000	1	120.9300	0.000	1	119.6654	3.024	5	120.7519	6.507	7	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	4:3:1:	3:	N-2:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(NC[5])(CCO)(H)	C(CHHO)(NHN)(O)	H(NCN)	N(NC[5])(CCO)(H)	C(CHHO)(NHN)(O)	H(NCN)	120.6300	0.000	1	120.6300	0.000	1	119.6654	3.024	5	120.7519	6.507	7	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	4:3:1:	3:	N-2:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(NC[6])(CCO)(H)	C(CCHH)(NHN)(O)	H(NCN)	N(NC[6])(CCO)(H)	C(CCHH)(NHN)(O)	H(NCN)	116.6270	0.000	1	116.6270	0.000	1	119.6654	3.024	5	120.7519	6.507	7	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	4:3:1:	3:	N-2:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(NC[6])(CCO)(H)	C(CH3)(NHN)(O)	H(NCN)	N(NC[6])(CCO)(H)	C(CH3)(NHN)(O)	H(NCN)	120.0700	0.085	2	120.0700	0.007	2	119.6654	3.024	5	120.7519	6.507	7	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	4:3:1:	3:	O-2:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(OC[3])(CCO)(H)	C(CCHO)(NHO)(O)	H(NCO)	N(OC[3])(CCO)(H)	C(CCHO)(NHO)(O)	H(NCO)	125.2410	0.000	1	125.2410	0.000	1	123.4680	6.287	2	120.7519	6.507	7	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	2:3:1:	4:3:1:	3:	O-2:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(OC[6a])(CCO)(H)	C(CH3)(NHO)(O)	H(NCO)	N(OC[6a])(CCO)(H)	C(CH3)(NHO)(O)	H(NCO)	121.6950	0.000	1	121.6950	0.000	1	123.4680	6.287	2	120.7519	6.507	7	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:1:	3:	C-3:H-1:H-1:	N-2:N-3:O-1:	N-3:	N(CNO)(H)2	C(NC[6a])(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NC[6a])(NHH)(O)	H(NCH)	119.5773	1.659	4	119.5773	2.752	4	119.5773	2.752	4	119.2807	13.689	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:1:	3:	C-3:H-1:H-1:	N-2:N-3:S-1:	N-3:	N(CNS)(H)2	C(NC[6a])(NHH)(S)	H(NCH)	N(CNS)(H)2	C(NC[6a])(NHH)(S)	H(NCH)	118.6875	7.690	2	118.6875	59.133	2	118.6875	59.133	2	119.2807	13.689	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:2:	3:	C-3:H-1:H-1:	N-2:N-3:N-2:	N-3:	N(CNN)(H)2	C(NC[6a])(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NC[6a])(NHH)(NC)	H(NCH)	119.1571	1.725	12	119.1571	2.976	12	119.4407	2.097	18	119.5692	2.056	20	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:2:	3:	C-3:H-1:H-1:	N-2:N-3:N-2:	N-3:	N(CNN)(H)2	C(NC[6a])(NHH)(NN)	H(NCH)	N(CNN)(H)2	C(NC[6a])(NHH)(NN)	H(NCH)	120.0078	0.050	6	120.0078	0.002	6	119.4407	2.097	18	119.5692	2.056	20	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:2:	3:	C-3:H-1:H-1:	S-2:N-3:N-2:	N-3:	N(CNS)(H)2	C(SC[5])(NHH)(NH)	H(NCH)	N(CNS)(H)2	C(SC[5])(NHH)(NH)	H(NCH)	120.7265	0.663	2	120.7265	0.439	2	120.7265	0.439	2	119.5692	2.056	20	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	N-2:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[5])(NCoH)(NHH)	H(NCH)	N(CNN)(H)2	C(NC[5])(NCoH)(NHH)	H(NCH)	120.6240	5.521	2	120.6240	30.482	2	119.0987	5.753	36	119.2362	9.586	53	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	N-2:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[5a])(NHH)2	H(NCH)	N(CNN)(H)2	C(NC[5a])(NHH)2	H(NCH)	118.9610	2.233	26	118.9610	4.986	26	119.0987	5.753	36	119.2362	9.586	53	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	N-2:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[6a])(NCH)(NHH)	H(NCH)	N(CNN)(H)2	C(NC[6a])(NCH)(NHH)	H(NCH)	118.2697	1.903	6	118.2697	3.620	6	119.0987	5.753	36	119.2362	9.586	53	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	N-2:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[6a])(NHH)2	H(NCH)	N(CNN)(H)2	C(NC[6a])(NHH)2	H(NCH)	121.8510	1.923	2	121.8510	3.699	2	119.0987	5.753	36	119.2362	9.586	53	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	S-2:N-3:N-3:	N-3:	N(CNS)(H)2	C(SC[5])(NHH)2	H(NCH)	N(CNS)(H)2	C(SC[5])(NHH)2	H(NCH)	120.0117	0.021	3	120.0117	0.000	3	119.5272	18.436	17	119.2362	9.586	53	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	S-2:N-3:N-3:	N-3:	N(CNS)(H)2	C(SC[5a])(NHH)2	H(NCH)	N(CNS)(H)2	C(SC[5a])(NHH)2	H(NCH)	121.5528	3.015	4	121.5528	9.091	4	119.5272	18.436	17	119.2362	9.586	53	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	S-2:N-3:N-3:	N-3:	N(CNS)(H)2	C(SC[6a])(NHH)2	H(NCH)	N(CNS)(H)2	C(SC[6a])(NHH)2	H(NCH)	120.8858	1.949	8	120.8858	3.798	8	119.5272	18.436	17	119.2362	9.586	53	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	S-2:N-3:N-3:	N-3:	N(CNS)(H)2	C(SIn[5,5])(NHH)(NHN)	H(NCH)	N(CNS)(H)2	C(SIn[5,5])(NHH)(NHN)	H(NCH)	109.3155	0.827	2	109.3155	0.683	2	119.5272	18.436	17	119.2362	9.586	53	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:4:3:	3:	C-3:H-1:H-1:	N-2:C-4:N-3:	N-3:	N(CCN)(H)2	C(NC[6a])(CH3)(NHH)	H(NCH)	N(CCN)(H)2	C(NC[6a])(CH3)(NHH)	H(NCH)	120.3975	1.307	2	120.3975	1.709	2	119.8190	3.740	4	119.8190	3.740	4	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	2:4:3:	3:	C-3:H-1:H-1:	N-2:C-4:N-3:	N-3:	N(CCN)(H)2	C(NN[5a])(CClNN)(NHH)	H(NCH)	N(CCN)(H)2	C(NN[5a])(CClNN)(NHH)	H(NCH)	119.2405	2.859	2	119.2405	8.173	2	119.8190	3.740	4	119.8190	3.740	4	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:1:1:	3:	C-3:H-1:H-1:	N-3:H-1:O-1:	N-3:	N(CHO)(H)2	C(NHH)(H)(O)	H(NCH)	N(CHO)(H)2	C(NHH)(H)(O)	H(NCH)	120.1149	2.888	52	120.1149	8.338	52	120.1149	8.338	52	120.1149	8.338	52	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:C-2:O-1:	N-3:	N(CCO)(H)2	C(NHH)(CC)(O)	H(NCH)	N(CCO)(H)2	C(NHH)(CC)(O)	H(NCH)	118.1990	2.861	2	118.1990	8.185	2	118.1990	8.185	2	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:N-2:N-1:	N-3:	N(CNN)(H)2	C(NHH)(NH)(N)	H(NCH)	N(CNN)(H)2	C(NHH)(NH)(N)	H(NCH)	117.8088	2.362	4	117.8088	5.580	4	117.8088	5.580	4	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:N-2:O-1:	N-3:	N(CNO)(H)2	C(NHH)(NC)(O)	H(NCH)	N(CNO)(H)2	C(NHH)(NC)(O)	H(NCH)	119.7923	1.935	6	119.7923	3.745	6	119.1419	4.467	10	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:N-2:O-1:	N-3:	N(CNO)(H)2	C(NHH)(NH)(O)	H(NCH)	N(CNO)(H)2	C(NHH)(NH)(O)	H(NCH)	116.3505	1.394	2	116.3505	1.942	2	119.1419	4.467	10	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:N-2:O-1:	N-3:	N(CNO)(H)2	C(NHH)(NN)(O)	H(NCH)	N(CNO)(H)2	C(NHH)(NN)(O)	H(NCH)	119.9820	0.028	2	119.9820	0.001	2	119.1419	4.467	10	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:N-2:S-1:	N-3:	N(CNS)(H)2	C(NHH)(NC)(S)	H(NCH)	N(CNS)(H)2	C(NHH)(NC)(S)	H(NCH)	120.1952	3.103	6	120.1952	9.630	6	119.5226	8.244	18	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:N-2:S-1:	N-3:	N(CNS)(H)2	C(NHH)(NN)(S)	H(NCH)	N(CNS)(H)2	C(NHH)(NN)(S)	H(NCH)	119.1863	2.827	12	119.1863	7.994	12	119.5226	8.244	18	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:O-2:H-1:	N-3:	N(CHO)(H)2	C(NHH)(OCr)(H)	H(NCH)	N(CHO)(H)2	C(NHH)(OCr)(H)	H(NCH)	120.0120	0.023	2	120.0120	0.001	2	120.0120	0.001	2	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:O-2:N-1:	N-3:	N(CNO)(H)2	C(NHH)(ONi)(N)	H(NCH)	N(CNO)(H)2	C(NHH)(ONi)(N)	H(NCH)	114.8520	3.116	2	114.8520	9.706	2	114.8520	9.706	2	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(H)2	C(NHH)(OC)(O)	H(NCH)	N(COO)(H)2	C(NHH)(OC)(O)	H(NCH)	118.6603	2.388	46	118.6603	5.704	46	118.7146	5.355	54	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(H)2	C(NHH)(OPt)(O)	H(NCH)	N(COO)(H)2	C(NHH)(OPt)(O)	H(NCH)	119.9930	0.048	4	119.9930	0.002	4	118.7146	5.355	54	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(H)2	C(NHH)(OSi)(O)	H(NCH)	N(COO)(H)2	C(NHH)(OSi)(O)	H(NCH)	118.0602	2.500	4	118.0602	6.251	4	118.7146	5.355	54	118.8128	6.028	92	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NC)(NH)	H(NCH)	N(CNN)(H)2	C(NHH)(NC)(NH)	H(NCH)	122.0829	3.746	8	122.0829	14.033	8	119.7335	8.566	44	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NC)(NN)	H(NCH)	N(CNN)(H)2	C(NHH)(NC)(NN)	H(NCH)	120.9330	7.703	2	120.9330	59.340	2	119.7335	8.566	44	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NC)2	H(NCH)	N(CNN)(H)2	C(NHH)(NC)2	H(NCH)	117.3855	0.919	2	117.3855	0.844	2	119.7335	8.566	44	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NH)(NN)	H(NCH)	N(CNN)(H)2	C(NHH)(NH)(NN)	H(NCH)	117.4860	2.363	4	117.4860	5.585	4	119.7335	8.566	44	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NH)2	H(NCH)	N(CNN)(H)2	C(NHH)(NH)2	H(NCH)	119.6481	2.240	20	119.6481	5.018	20	119.7335	8.566	44	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NN)(NS)	H(NCH)	N(CNN)(H)2	C(NHH)(NN)(NS)	H(NCH)	119.8350	1.110	4	119.8350	1.232	4	119.7335	8.566	44	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NN)2	H(NCH)	N(CNN)(H)2	C(NHH)(NN)2	H(NCH)	118.1817	1.420	4	118.1817	2.016	4	119.7335	8.566	44	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NH)(SC)	H(NCH)	N(CNS)(H)2	C(NHH)(NH)(SC)	H(NCH)	122.0358	8.300	4	122.0358	68.883	4	120.3933	25.576	12	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NN)(SC)	H(NCH)	N(CNS)(H)2	C(NHH)(NN)(SC)	H(NCH)	119.5720	2.891	8	119.5720	8.358	8	120.3933	25.576	12	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:O-2:N-2:	N-3:	N(CNO)(H)2	C(NHH)(ONi)(NN)	H(NCH)	N(CNO)(H)2	C(NHH)(ONi)(NN)	H(NCH)	120.4562	2.132	4	120.4562	4.545	4	120.4562	4.545	4	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SCd)(NH)	H(NCH)	N(CNS)(H)2	C(NHH)(SCd)(NH)	H(NCH)	120.8060	2.739	2	120.8060	7.504	2	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SCo)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SCo)(NN)	H(NCH)	119.9158	2.996	4	119.9158	8.976	4	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SCu)(NH)	H(NCH)	N(CNS)(H)2	C(NHH)(SCu)(NH)	H(NCH)	121.5778	2.257	6	121.5778	5.093	6	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SCu)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SCu)(NN)	H(NCH)	119.9963	0.036	15	119.9963	0.001	15	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SFe)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SFe)(NN)	H(NCH)	120.0782	1.300	26	120.0782	1.691	26	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SMn)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SMn)(NN)	H(NCH)	120.0000	0.012	4	120.0000	0.000	4	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SNi)(NC)	H(NCH)	N(CNS)(H)2	C(NHH)(SNi)(NC)	H(NCH)	119.3529	1.717	8	119.3529	2.950	8	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SNi)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SNi)(NN)	H(NCH)	119.3320	1.885	35	119.3320	3.552	35	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SPd)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SPd)(NN)	H(NCH)	120.0075	0.232	28	120.0075	0.054	28	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SPt)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SPt)(NN)	H(NCH)	120.0083	0.037	10	120.0083	0.001	10	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SRh)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SRh)(NN)	H(NCH)	120.0040	0.041	7	120.0040	0.002	7	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SSn)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SSn)(NN)	H(NCH)	119.6436	0.618	7	119.6436	0.382	7	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SZn)(NH)	H(NCH)	N(CNS)(H)2	C(NHH)(SZn)(NH)	H(NCH)	124.9776	11.252	8	124.9776	126.611	8	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SZn)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SZn)(NN)	H(NCH)	117.7217	2.247	10	117.7217	5.047	10	119.9943	8.671	170	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:S-2:	N-3:	N(CSS)(H)2	C(NHH)(SNi)2	H(NCH)	N(CSS)(H)2	C(NHH)(SNi)2	H(NCH)	119.9950	0.056	4	119.9950	0.003	4	119.9950	0.003	4	119.9736	9.161	234	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:3:	3:	C-3:H-1:H-1:	C[5a]-3:N-2:N-3:	N-3:	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NC[6a])(NHH)	H(NCH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NC[6a])(NHH)	H(NCH)	121.6745	0.852	2	121.6745	0.726	2	121.6745	0.726	2	119.4317	10.293	39	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:3:	3:	C-3:H-1:H-1:	C[6]-3:N-2:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[5])(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NC[5])(NHH)	H(NCH)	120.0435	0.012	2	120.0435	0.000	2	120.0435	0.000	2	119.4317	10.293	39	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-2:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a])(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a])(NHH)	H(NCH)	119.1463	3.599	30	119.1463	12.950	30	119.2007	12.160	32	119.4317	10.293	39	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-2:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NC[6a])(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NC[6a])(NHH)	H(NCH)	120.0165	0.052	2	120.0165	0.003	2	119.2007	12.160	32	119.4317	10.293	39	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:2:3:	3:	C-3:H-1:H-1:	N-3:N-2:N-3:	N-3:	N(CNN)(H)2	C(NC[6a]H)(NC[6a])(NHH)	H(NCH)	N(CNN)(H)2	C(NC[6a]H)(NC[6a])(NHH)	H(NCH)	119.9923	0.024	3	119.9923	0.001	3	119.9923	0.001	3	119.4317	10.293	39	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(H)2	C(CCC)(NHH)(H)	H(NCH)	N(CCH)(H)2	C(CCC)(NHH)(H)	H(NCH)	119.9934	0.035	7	119.9934	0.001	7	120.4480	1.302	10	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(H)2	C(CCS)(NHH)(H)	H(NCH)	N(CCH)(H)2	C(CCS)(NHH)(H)	H(NCH)	119.9870	0.000	1	119.9870	0.000	1	120.4480	1.302	10	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(H)2	C(CHN)(NHH)(H)	H(NCH)	N(CCH)(H)2	C(CHN)(NHH)(H)	H(NCH)	122.2695	1.848	2	122.2695	3.414	2	120.4480	1.302	10	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCC)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCC)(NHH)(O)	H(NCH)	119.7547	3.161	72	119.7547	9.990	72	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCH)(NHH)(O)	H(NCH)	119.1489	2.301	22	119.1489	5.295	22	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCN)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCN)(NHH)(O)	H(NCH)	120.1834	3.596	14	120.1834	12.931	14	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCO)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCO)(NHH)(O)	H(NCH)	120.0170	0.038	2	120.0170	0.001	2	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCP)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCP)(NHH)(O)	H(NCH)	120.0018	0.053	5	120.0018	0.003	5	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCS)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCS)(NHH)(O)	H(NCH)	119.9934	0.022	5	119.9934	0.000	5	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[5]C)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[5]C)(NHH)(O)	H(NCH)	122.1360	3.744	6	122.1360	14.018	6	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[5]H)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[5]H)(NHH)(O)	H(NCH)	119.6695	1.572	8	119.6695	2.470	8	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[5a]C)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[5a]C)(NHH)(O)	H(NCH)	119.9765	0.005	2	119.9765	0.000	2	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[5a]O)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[5a]O)(NHH)(O)	H(NCH)	119.8990	2.200	8	119.8990	4.841	8	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6]H)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6]H)(NHH)(O)	H(NCH)	119.6305	4.062	2	119.6305	16.503	2	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6a]C)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6a]C)(NHH)(O)	H(NCH)	120.0040	0.018	4	120.0040	0.000	4	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6a]N)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6a]N)(NHH)(O)	H(NCH)	119.9940	0.000	1	119.9940	0.000	1	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CNO)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CNO)(NHH)(O)	H(NCH)	120.0058	1.725	6	120.0058	2.975	6	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CN[5]C)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CN[5]C)(NHH)(O)	H(NCH)	119.9750	0.011	2	119.9750	0.000	2	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CN[5a]C)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CN[5a]C)(NHH)(O)	H(NCH)	120.0040	0.000	1	120.0040	0.000	1	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(COO)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(COO)(NHH)(O)	H(NCH)	118.5722	3.492	12	118.5722	12.191	12	119.7537	7.829	172	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:S-1:	N-3:	N(CCS)(H)2	C(CCC)(NHH)(S)	H(NCH)	N(CCS)(H)2	C(CCC)(NHH)(S)	H(NCH)	119.9999	0.016	12	119.9999	0.000	12	119.4303	7.882	46	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:S-1:	N-3:	N(CCS)(H)2	C(CC[5]C)(NHH)(S)	H(NCH)	N(CCS)(H)2	C(CC[5]C)(NHH)(S)	H(NCH)	120.6035	4.499	2	120.6035	20.244	2	119.4303	7.882	46	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:S-1:	N-3:	N(CCS)(H)2	C(CNS)(NHH)(S)	H(NCH)	N(CCS)(H)2	C(CNS)(NHH)(S)	H(NCH)	119.1433	3.239	32	119.1433	10.489	32	119.4303	7.882	46	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5,6]-3:N-3:O-1:	N-3:	N(CC[5,6]O)(H)2	C(C[5,6]C[5,5,6]C[5,6])(NHH)(O)	H(NCH)	N(CC[5,6]O)(H)2	C(C[5,6]C[5,5,6]C[5,6])(NHH)(O)	H(NCH)	118.9910	1.133	4	118.9910	1.283	4	118.9910	1.283	4	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5]-3:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]N[5])(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]N[5])(NHH)(O)	H(NCH)	120.0078	0.054	4	120.0078	0.003	4	120.1405	0.127	26	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5]-3:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]S[5])(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]S[5])(NHH)(O)	H(NCH)	120.1647	0.384	22	120.1647	0.147	22	120.1405	0.127	26	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(H)2	C(C[5a]C[5a,6]N[5a])(NHH)(O)	H(NCH)	N(CC[5a]O)(H)2	C(C[5a]C[5a,6]N[5a])(NHH)(O)	H(NCH)	118.4938	3.404	34	118.4938	11.590	34	119.5191	7.938	121	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(H)2	C(C[5a]C[5a,6a]N[5a])(NHH)(O)	H(NCH)	N(CC[5a]O)(H)2	C(C[5a]C[5a,6a]N[5a])(NHH)(O)	H(NCH)	119.8912	3.331	16	119.8912	11.098	16	119.5191	7.938	121	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(H)2	C(C[5a]C[5a]2)(NHH)(O)	H(NCH)	N(CC[5a]O)(H)2	C(C[5a]C[5a]2)(NHH)(O)	H(NCH)	120.9983	2.476	12	120.9983	6.133	12	119.5191	7.938	121	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(H)2	C(C[5a]C[5a]N[5a])(NHH)(O)	H(NCH)	N(CC[5a]O)(H)2	C(C[5a]C[5a]N[5a])(NHH)(O)	H(NCH)	119.5578	1.693	28	119.5578	2.867	28	119.5191	7.938	121	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(H)2	C(C[5a]C[5a]O[5a])(NHH)(O)	H(NCH)	N(CC[5a]O)(H)2	C(C[5a]C[5a]O[5a])(NHH)(O)	H(NCH)	118.7966	1.601	8	118.7966	2.564	8	119.5191	7.938	121	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(H)2	C(C[5a]C[5a]S[5a])(NHH)(O)	H(NCH)	N(CC[5a]O)(H)2	C(C[5a]C[5a]S[5a])(NHH)(O)	H(NCH)	120.4295	4.006	11	120.4295	16.045	11	119.5191	7.938	121	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(H)2	C(C[5a]N[5a]2)(NHH)(O)	H(NCH)	N(CC[5a]O)(H)2	C(C[5a]N[5a]2)(NHH)(O)	H(NCH)	120.0059	0.023	12	120.0059	0.001	12	119.5191	7.938	121	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:S-1:	N-3:	N(CC[5a]S)(H)2	C(C[5a]C[5a]N[5a])(NHH)(S)	H(NCH)	N(CC[5a]S)(H)2	C(C[5a]C[5a]N[5a])(NHH)(S)	H(NCH)	120.3900	2.222	2	120.3900	4.936	2	120.3900	4.936	2	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6]H)(H)2	C(C[6]C[6]2)(NHH)(H)	H(NCH)	N(CC[6]H)(H)2	C(C[6]C[6]2)(NHH)(H)	H(NCH)	117.6485	2.781	2	117.6485	7.734	2	117.6485	7.734	2	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-1:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]2)(NHH)(N)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]2)(NHH)(N)	H(NCH)	119.9040	0.122	4	119.9040	0.015	4	119.9040	0.015	4	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[5a,6]N[6])(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[5a,6]N[6])(NHH)(O)	H(NCH)	119.6882	0.301	4	119.6882	0.091	4	120.1821	5.322	318	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]2)(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]2)(NHH)(O)	H(NCH)	120.1935	2.366	298	120.1935	5.597	298	120.1821	5.322	318	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(O)	H(NCH)	120.0930	1.253	16	120.0930	1.569	16	120.1821	5.322	318	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6]-3:N-3:S-1:	N-3:	N(CC[6]S)(H)2	C(C[6]C[6]2)(NHH)(S)	H(NCH)	N(CC[6]S)(H)2	C(C[6]C[6]2)(NHH)(S)	H(NCH)	122.0265	2.658	46	122.0265	7.062	46	122.0265	7.062	46	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(H)2	C(C[6a]C[5,6a]C[6a])(NHH)(O)	H(NCH)	N(CC[6a]O)(H)2	C(C[6a]C[5,6a]C[6a])(NHH)(O)	H(NCH)	118.1715	2.985	2	118.1715	8.908	2	119.9993	7.313	1285	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(H)2	C(C[6a]C[5,6a]N[6a])(NHH)(O)	H(NCH)	N(CC[6a]O)(H)2	C(C[6a]C[5,6a]N[6a])(NHH)(O)	H(NCH)	119.9759	0.034	7	119.9759	0.001	7	119.9993	7.313	1285	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(H)2	C(C[6a]C[5a,6a]C[6a])(NHH)(O)	H(NCH)	N(CC[6a]O)(H)2	C(C[6a]C[5a,6a]C[6a])(NHH)(O)	H(NCH)	120.0225	0.319	4	120.0225	0.102	4	119.9993	7.313	1285	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	H(NCH)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	H(NCH)	120.0511	2.802	1131	120.0511	7.850	1131	119.9993	7.313	1285	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NHH)(O)	H(NCH)	N(CC[6a]O)(H)2	C(C[6a]C[6a]N[6a])(NHH)(O)	H(NCH)	119.5868	1.842	139	119.5868	3.394	139	119.9993	7.313	1285	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(H)2	C(C[6a]N[6a]2)(NHH)(O)	H(NCH)	N(CC[6a]O)(H)2	C(C[6a]N[6a]2)(NHH)(O)	H(NCH)	121.2260	2.297	2	121.2260	5.275	2	119.9993	7.313	1285	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	H(NCH)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	H(NCH)	120.8014	2.192	109	120.8014	4.803	109	120.7445	4.944	113	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(CC[6a]S)(H)2	C(C[6a]C[6a]N[6a])(NHH)(S)	H(NCH)	N(CC[6a]S)(H)2	C(C[6a]C[6a]N[6a])(NHH)(S)	H(NCH)	119.1945	2.890	4	119.1945	8.353	4	120.7445	4.944	113	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:H-1:	N-3:	N(CHN)(H)2	C(NCH)(NHH)(H)	H(NCH)	N(CHN)(H)2	C(NCH)(NHH)(H)	H(NCH)	120.0551	0.212	14	120.0551	0.045	14	120.0582	0.435	132	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:H-1:	N-3:	N(CHN)(H)2	C(NHH)2(H)	H(NCH)	N(CHN)(H)2	C(NHH)2(H)	H(NCH)	120.0586	0.694	118	120.0586	0.482	118	120.0582	0.435	132	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:N-1:	N-3:	N(CNN)(H)2	C(NCH)(NHH)(N)	H(NCH)	N(CNN)(H)2	C(NCH)(NHH)(N)	H(NCH)	120.0083	0.028	4	120.0083	0.001	4	119.4457	4.960	14	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:N-1:	N-3:	N(CNN)(H)2	C(NHH)2(N)	H(NCH)	N(CNN)(H)2	C(NHH)2(N)	H(NCH)	119.2207	2.640	10	119.2207	6.968	10	119.4457	4.960	14	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NCC)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NCC)(NHH)(O)	H(NCH)	118.4417	4.278	32	118.4417	18.299	32	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NCH)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NCH)(NHH)(O)	H(NCH)	119.3266	2.736	147	119.3266	7.488	147	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NCN)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NCN)(NHH)(O)	H(NCH)	120.3918	4.298	4	120.3918	18.474	4	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NCO)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NCO)(NHH)(O)	H(NCH)	119.9938	0.099	4	119.9938	0.010	4	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NC[5]H)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NC[5]H)(NHH)(O)	H(NCH)	117.9055	5.416	6	117.9055	29.336	6	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NC[6]H)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NC[6]H)(NHH)(O)	H(NCH)	120.1021	3.062	11	120.1021	9.378	11	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NC[6a]2)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NC[6a]2)(NHH)(O)	H(NCH)	119.8401	3.045	104	119.8401	9.274	104	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NC[6a]H)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NC[6a]H)(NHH)(O)	H(NCH)	119.2982	2.574	82	119.2982	6.626	82	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NHH)(NHN)(O)	H(NCH)	N(CNO)(H)2	C(NHH)(NHN)(O)	H(NCH)	119.2487	2.109	150	119.2487	4.449	150	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NHH)(NHO)(O)	H(NCH)	N(CNO)(H)2	C(NHH)(NHO)(O)	H(NCH)	119.4925	1.403	13	119.4925	1.967	13	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NHH)2(O)	H(NCH)	N(CNO)(H)2	C(NHH)2(O)	H(NCH)	119.4012	3.133	526	119.4012	9.815	526	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NN[5]H)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NN[5]H)(NHH)(O)	H(NCH)	122.5410	0.656	2	122.5410	0.431	2	119.3875	8.692	1081	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NCC)(NHH)(S)	H(NCH)	N(CNS)(H)2	C(NCC)(NHH)(S)	H(NCH)	121.0873	2.975	6	121.0873	8.849	6	119.7913	3.690	786	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NCH)(NHH)(S)	H(NCH)	N(CNS)(H)2	C(NCH)(NHH)(S)	H(NCH)	119.4628	2.406	71	119.4628	5.789	71	119.7913	3.690	786	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NCN)(NHH)(S)	H(NCH)	N(CNS)(H)2	C(NCN)(NHH)(S)	H(NCH)	119.9292	1.404	8	119.9292	1.971	8	119.7913	3.690	786	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NCO)(NHH)(S)	H(NCH)	N(CNS)(H)2	C(NCO)(NHH)(S)	H(NCH)	117.2760	1.994	2	117.2760	3.976	2	119.7913	3.690	786	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NC[5]H)(NHH)(S)	H(NCH)	N(CNS)(H)2	C(NC[5]H)(NHH)(S)	H(NCH)	120.8440	0.677	2	120.8440	0.459	2	119.7913	3.690	786	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NC[6]H)(NHH)(S)	H(NCH)	N(CNS)(H)2	C(NC[6]H)(NHH)(S)	H(NCH)	118.3550	4.377	2	118.3550	19.158	2	119.7913	3.690	786	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NC[6a]H)(NHH)(S)	H(NCH)	N(CNS)(H)2	C(NC[6a]H)(NHH)(S)	H(NCH)	119.8785	2.760	34	119.8785	7.617	34	119.7913	3.690	786	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(S)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(S)	H(NCH)	119.6912	1.963	346	119.6912	3.852	346	119.7913	3.690	786	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NHH)2(S)	H(NCH)	N(CNS)(H)2	C(NHH)2(S)	H(NCH)	119.9550	1.591	309	119.9550	2.533	309	119.7913	3.690	786	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NN[5]H)(NHH)(S)	H(NCH)	N(CNS)(H)2	C(NN[5]H)(NHH)(S)	H(NCH)	120.0010	0.006	2	120.0010	0.000	2	119.7913	3.690	786	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NN[6]H)(NHH)(S)	H(NCH)	N(CNS)(H)2	C(NN[6]H)(NHH)(S)	H(NCH)	120.0175	0.022	4	120.0175	0.001	4	119.7913	3.690	786	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:Se-1:	N-3:	N(CSeN)(H)2	C(NHH)(NHN)(Se)	H(NCH)	N(CSeN)(H)2	C(NHH)(NHN)(Se)	H(NCH)	118.8425	1.828	2	118.8425	3.341	2	118.8425	3.341	2	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:P-3:O-1:	N-3:	N(COP)(H)2	C(NHH)(PHH)(O)	H(NCH)	N(COP)(H)2	C(NHH)(PHH)(O)	H(NCH)	120.4790	2.017	2	120.4790	4.067	2	120.4790	4.067	2	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5,6]-3:N-3:O-1:	N-3:	N(CN[5,6]O)(H)2	C(N[5,6]C[5,5,6]O[5,6])(NHH)(O)	H(NCH)	N(CN[5,6]O)(H)2	C(N[5,6]C[5,5,6]O[5,6])(NHH)(O)	H(NCH)	120.0132	0.030	4	120.0132	0.001	4	120.0132	0.001	4	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5]-3:N-3:O-1:	N-3:	N(CN[5]O)(H)2	C(N[5]C[5]2)(NHH)(O)	H(NCH)	N(CN[5]O)(H)2	C(N[5]C[5]2)(NHH)(O)	H(NCH)	118.4455	2.771	4	118.4455	7.681	4	118.7791	3.327	12	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5]-3:N-3:O-1:	N-3:	N(CN[5]O)(H)2	C(N[5]C[5]N[5])(NHH)(O)	H(NCH)	N(CN[5]O)(H)2	C(N[5]C[5]N[5])(NHH)(O)	H(NCH)	118.9459	1.357	8	118.9459	1.841	8	118.7791	3.327	12	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5]-3:N-3:S-1:	N-3:	N(CN[5]S)(H)2	C(N[5]C[5]2)(NHH)(S)	H(NCH)	N(CN[5]S)(H)2	C(N[5]C[5]2)(NHH)(S)	H(NCH)	119.8280	3.989	2	119.8280	15.916	2	118.7394	5.928	54	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5]-3:N-3:S-1:	N-3:	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(S)	H(NCH)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(S)	H(NCH)	118.6976	2.408	52	118.6976	5.800	52	118.7394	5.928	54	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(CN[5a]O)(H)2	C(N[5a]C[5a]2)(NHH)(O)	H(NCH)	N(CN[5a]O)(H)2	C(N[5a]C[5a]2)(NHH)(O)	H(NCH)	120.0030	0.013	4	120.0030	0.000	4	119.5938	1.886	6	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(CN[5a]O)(H)2	C(N[5a]C[5a]N[5a])(NHH)(O)	H(NCH)	N(CN[5a]O)(H)2	C(N[5a]C[5a]N[5a])(NHH)(O)	H(NCH)	118.7755	2.724	2	118.7755	7.423	2	119.5938	1.886	6	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[5a]-3:N-3:S-1:	N-3:	N(CN[5a]S)(H)2	C(N[5a]C[5a]N[5a])(NHH)(S)	H(NCH)	N(CN[5a]S)(H)2	C(N[5a]C[5a]N[5a])(NHH)(S)	H(NCH)	120.3240	2.136	8	120.3240	4.564	8	120.3240	4.564	8	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N[6a]-3:N-3:O-1:	N-3:	N(CN[6a]O)(H)2	C(N[6a]B[6a]N[6a])(NHH)(O)	H(NCH)	N(CN[6a]O)(H)2	C(N[6a]B[6a]N[6a])(NHH)(O)	H(NCH)	120.4360	1.341	2	120.4360	1.797	2	120.4360	1.797	2	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:N-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(H)(N)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(H)(N)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	123.2950	0.000	1	123.2950	0.000	1	123.2950	0.000	1	119.8122	6.627	4253	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:C-2:	N-3:	N(CCC)(H)2	C(CCC)(NHH)(CN)	H(NCH)	N(CCC)(H)2	C(CCC)(NHH)(CN)	H(NCH)	119.0350	0.938	2	119.0350	0.879	2	119.8720	1.642	50	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:C-2:	N-3:	N(CCC)(H)2	C(CCN)(NHH)(CN)	H(NCH)	N(CCC)(H)2	C(CCN)(NHH)(CN)	H(NCH)	119.9069	1.289	48	119.9069	1.662	48	119.8720	1.642	50	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:N-2:	N-3:	N(CCN)(H)2	C(CCH)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CCH)(NHH)(NO)	H(NCH)	118.5498	3.361	4	118.5498	11.296	4	119.9064	9.597	12	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:N-2:	N-3:	N(CCN)(H)2	C(CCN)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CCN)(NHH)(NO)	H(NCH)	119.9925	0.023	2	119.9925	0.001	2	119.9064	9.597	12	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:N-2:	N-3:	N(CCN)(H)2	C(CNN)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CNN)(NHH)(NO)	H(NCH)	118.9265	1.325	4	118.9265	1.756	4	119.9064	9.597	12	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:N-2:	N-3:	N(CCN)(H)2	C(CNS)(NHH)(NN)	H(NCH)	N(CCN)(H)2	C(CNS)(NHH)(NN)	H(NCH)	124.4935	3.621	2	124.4935	13.112	2	119.9064	9.597	12	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:O-2:	N-3:	N(CCO)(H)2	C(CCH)(NHH)(OMn)	H(NCH)	N(CCO)(H)2	C(CCH)(NHH)(OMn)	H(NCH)	120.0002	0.023	6	120.0002	0.001	6	120.1355	2.074	12	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:O-2:	N-3:	N(CCO)(H)2	C(CCH)(NHH)(ONi)	H(NCH)	N(CCO)(H)2	C(CCH)(NHH)(ONi)	H(NCH)	121.9980	3.393	2	121.9980	11.510	2	120.1355	2.074	12	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:O-2:	N-3:	N(CCO)(H)2	C(CC[6]C)(NHH)(OZn)	H(NCH)	N(CCO)(H)2	C(CC[6]C)(NHH)(OZn)	H(NCH)	120.0145	0.019	2	120.0145	0.000	2	120.1355	2.074	12	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:O-2:	N-3:	N(CCO)(H)2	C(COO)(NHH)(OCo)	H(NCH)	N(CCO)(H)2	C(COO)(NHH)(OCo)	H(NCH)	118.8000	0.812	2	118.8000	0.659	2	120.1355	2.074	12	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:S-2:	N-3:	N(CCS)(H)2	C(CNS)(NHH)(SAg)	H(NCH)	N(CCS)(H)2	C(CNS)(NHH)(SAg)	H(NCH)	117.1365	1.172	2	117.1365	1.373	2	117.1365	1.373	2	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[5]-3:N-3:N-2:	N-3:	N(CC[5]N)(H)2	C(C[5]C[5]N[5])(NHH)(NO)	H(NCH)	N(CC[5]N)(H)2	C(C[5]C[5]N[5])(NHH)(NO)	H(NCH)	116.8158	2.617	4	116.8158	6.846	4	116.8158	6.846	4	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[5]-3:N-3:O-2:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]N[5])(NHH)(OBi)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]N[5])(NHH)(OBi)	H(NCH)	119.9790	0.045	2	119.9790	0.002	2	119.9790	0.002	2	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:N-2:	N-3:	N(CC[5a]N)(H)2	C(C[5a]C[5a]2)(NHH)(NN)	H(NCH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]2)(NHH)(NN)	H(NCH)	118.7445	3.416	4	118.7445	11.669	4	118.7875	11.325	22	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:N-2:	N-3:	N(CC[5a]N)(H)2	C(C[5a]C[5a]2)(NHH)(NS)	H(NCH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]2)(NHH)(NS)	H(NCH)	120.0855	2.412	2	120.0855	5.817	2	118.7875	11.325	22	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:N-2:	N-3:	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NN)	H(NCH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NN)	H(NCH)	117.6669	4.892	8	117.6669	23.936	8	118.7875	11.325	22	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:N-2:	N-3:	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NO)	H(NCH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NO)	H(NCH)	119.8265	0.410	6	119.8265	0.168	6	118.7875	11.325	22	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:N-2:	N-3:	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NS)	H(NCH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NS)	H(NCH)	118.9405	2.942	2	118.9405	8.657	2	118.7875	11.325	22	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-2:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NHH)(NN)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NHH)(NN)	H(NCH)	120.0018	0.027	4	120.0018	0.001	4	119.9922	0.001	9	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-2:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NHH)(NO)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NHH)(NO)	H(NCH)	119.9846	0.033	5	119.9846	0.001	5	119.9922	0.001	9	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]2)(NHH)(OH)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]2)(NHH)(OH)	H(NCH)	117.3425	4.807	6	117.3425	23.111	6	119.6901	6.730	40	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]2)(NHH)(OMn)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]2)(NHH)(OMn)	H(NCH)	120.4185	1.145	2	120.4185	1.311	2	119.6901	6.730	40	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(OCo)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(OCo)	H(NCH)	120.9557	1.222	4	120.9557	1.494	4	119.6901	6.730	40	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(OCu)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(OCu)	H(NCH)	120.0205	1.347	6	120.0205	1.815	6	119.6901	6.730	40	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(OFe)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(OFe)	H(NCH)	119.7848	1.467	6	119.7848	2.151	6	119.6901	6.730	40	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(ONi)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(ONi)	H(NCH)	119.9769	2.108	10	119.9769	4.445	10	119.6901	6.730	40	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(OV)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(OV)	H(NCH)	120.0335	0.295	2	120.0335	0.087	2	119.6901	6.730	40	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(OZn)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]N[6])(NHH)(OZn)	H(NCH)	120.0555	3.576	4	120.0555	12.790	4	119.6901	6.730	40	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	H(NCH)	120.4610	3.376	2	120.4610	11.396	2	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[5,6a]C[6a])(NHH)(NH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[5,6a]C[6a])(NHH)(NH)	H(NCH)	119.3400	0.298	2	119.3400	0.089	2	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6,6a]C[6a])(NHH)(NH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6,6a]C[6a])(NHH)(NH)	H(NCH)	118.1930	5.231	2	118.1930	27.365	2	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NC)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NC)	H(NCH)	118.0812	2.653	22	118.0812	7.040	22	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NH)	H(NCH)	119.9492	2.669	10	119.9492	7.126	10	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NN)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NN)	H(NCH)	119.2637	1.242	6	119.2637	1.543	6	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NO)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NO)	H(NCH)	119.5220	2.348	52	119.5220	5.513	52	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NPt)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NPt)	H(NCH)	119.9760	0.031	2	119.9760	0.001	2	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NS)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NS)	H(NCH)	120.2395	1.910	2	120.2395	3.648	2	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NN)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NN)	H(NCH)	119.4806	2.758	32	119.4806	7.607	32	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NO)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NO)	H(NCH)	117.6513	2.074	8	117.6513	4.301	8	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]N[6a]2)(NHH)(NN)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]N[6a]2)(NHH)(NN)	H(NCH)	118.0610	2.131	2	118.0610	4.542	2	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]N[6a]2)(NHH)(NO)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]N[6a]2)(NHH)(NO)	H(NCH)	115.5310	3.984	2	115.5310	15.871	2	119.1403	6.487	144	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OCa)	H(NCH)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OCa)	H(NCH)	120.2435	2.244	2	120.2435	5.034	2	119.8864	2.228	18	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OCu)	H(NCH)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OCu)	H(NCH)	119.9885	0.023	2	119.9885	0.001	2	119.8864	2.228	18	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OH)	H(NCH)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OH)	H(NCH)	119.8800	1.422	12	119.8800	2.022	12	119.8864	2.228	18	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OPd)	H(NCH)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OPd)	H(NCH)	119.4655	3.157	2	119.4655	9.968	2	119.8864	2.228	18	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:S-2:	N-3:	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SAg)	H(NCH)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SAg)	H(NCH)	120.5190	2.811	4	120.5190	7.900	4	120.9507	7.841	17	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:S-2:	N-3:	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SO)	H(NCH)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SO)	H(NCH)	121.5023	0.808	4	121.5023	0.653	4	120.9507	7.841	17	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:S-2:	N-3:	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SRh)	H(NCH)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SRh)	H(NCH)	121.3742	4.329	6	121.3742	18.744	6	120.9507	7.841	17	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:S-2:	N-3:	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SW)	H(NCH)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(SW)	H(NCH)	119.9440	0.028	3	119.9440	0.001	3	120.9507	7.841	17	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCC)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NCC)(NHH)(NC)	H(NCH)	120.0377	2.709	39	120.0377	7.340	39	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCC)(NHH)(NH)	H(NCH)	N(CNN)(H)2	C(NCC)(NHH)(NH)	H(NCH)	117.2410	0.648	4	117.2410	0.420	4	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCH)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NCH)(NHH)(NC)	H(NCH)	119.3405	2.443	13	119.3405	5.966	13	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCH)(NHH)(NH)	H(NCH)	N(CNN)(H)2	C(NCH)(NHH)(NH)	H(NCH)	119.4015	1.333	12	119.4015	1.778	12	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCH)(NHH)(NN)	H(NCH)	N(CNN)(H)2	C(NCH)(NHH)(NN)	H(NCH)	117.2160	2.921	6	117.2160	8.534	6	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCN)(NHH)(NN)	H(NCH)	N(CNN)(H)2	C(NCN)(NHH)(NN)	H(NCH)	117.3443	3.579	4	117.3443	12.806	4	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCO)(NHH)(NN)	H(NCH)	N(CNN)(H)2	C(NCO)(NHH)(NN)	H(NCH)	119.9755	0.026	2	119.9755	0.001	2	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NC[5]H)(NHH)(NN)	H(NCH)	N(CNN)(H)2	C(NC[5]H)(NHH)(NN)	H(NCH)	120.0133	0.008	3	120.0133	0.000	3	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NC[6a]C)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NC[6a]C)(NHH)(NC)	H(NCH)	118.5690	2.466	2	118.5690	6.083	2	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NC[6a]H)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NC[6a]H)(NHH)(NC)	H(NCH)	119.7163	2.323	45	119.7163	5.395	45	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCoC)(NHH)(NH)	H(NCH)	N(CNN)(H)2	C(NCoC)(NHH)(NH)	H(NCH)	126.0880	0.304	2	126.0880	0.092	2	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCuH)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NCuH)(NHH)(NC)	H(NCH)	117.1265	3.568	8	117.1265	12.729	8	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NHN)(NH)	H(NCH)	N(CNN)(H)2	C(NHH)(NHN)(NH)	H(NCH)	119.8160	3.842	8	119.8160	14.758	8	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NHN)(NN)	H(NCH)	N(CNN)(H)2	C(NHH)(NHN)(NN)	H(NCH)	118.8489	2.749	12	118.8489	7.559	12	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NHH)2(NC)	H(NCH)	N(CNN)(H)2	C(NHH)2(NC)	H(NCH)	119.4669	2.671	235	119.4669	7.136	235	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NHH)2(NH)	H(NCH)	N(CNN)(H)2	C(NHH)2(NH)	H(NCH)	118.8350	2.546	92	118.8350	6.483	92	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NHH)2(NN)	H(NCH)	N(CNN)(H)2	C(NHH)2(NN)	H(NCH)	119.7807	2.976	28	119.7807	8.854	28	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NHH)2(NS)	H(NCH)	N(CNN)(H)2	C(NHH)2(NS)	H(NCH)	119.7885	1.529	27	119.7885	2.338	27	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NNiH)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NNiH)(NHH)(NC)	H(NCH)	117.7218	4.516	10	117.7218	20.394	10	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NNiN)(NHH)(NN)	H(NCH)	N(CNN)(H)2	C(NNiN)(NHH)(NN)	H(NCH)	119.6010	5.203	2	119.6010	27.070	2	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NPdH)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NPdH)(NHH)(NC)	H(NCH)	120.0280	0.026	3	120.0280	0.001	3	119.3498	7.252	557	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NCC)(NHH)(OH)	H(NCH)	N(CNO)(H)2	C(NCC)(NHH)(OH)	H(NCH)	118.8930	1.390	2	118.8930	1.933	2	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NCC)(NHH)(ON)	H(NCH)	N(CNO)(H)2	C(NCC)(NHH)(ON)	H(NCH)	120.0173	0.030	6	120.0173	0.001	6	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NCC)(NHH)(OZn)	H(NCH)	N(CNO)(H)2	C(NCC)(NHH)(OZn)	H(NCH)	114.6730	6.158	4	114.6730	37.916	4	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NCH)(NHH)(ONi)	H(NCH)	N(CNO)(H)2	C(NCH)(NHH)(ONi)	H(NCH)	119.9640	0.042	7	119.9640	0.002	7	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NC[6a]2)(NHH)(OH)	H(NCH)	N(CNO)(H)2	C(NC[6a]2)(NHH)(OH)	H(NCH)	120.9751	3.717	22	120.9751	13.816	22	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NC[6a]H)(NHH)(ORh)	H(NCH)	N(CNO)(H)2	C(NC[6a]H)(NHH)(ORh)	H(NCH)	120.0020	0.023	2	120.0020	0.001	2	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)(NHN)(OCd)	H(NCH)	N(CNO)(H)2	C(NHH)(NHN)(OCd)	H(NCH)	119.9895	0.023	2	119.9895	0.001	2	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)(NHN)(OCo)	H(NCH)	N(CNO)(H)2	C(NHH)(NHN)(OCo)	H(NCH)	119.3153	1.353	10	119.3153	1.831	10	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)(NHN)(OFe)	H(NCH)	N(CNO)(H)2	C(NHH)(NHN)(OFe)	H(NCH)	118.9195	4.284	2	118.9195	18.356	2	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)(NHN)(OMn)	H(NCH)	N(CNO)(H)2	C(NHH)(NHN)(OMn)	H(NCH)	112.1075	6.408	6	112.1075	41.056	6	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)(NHN)(ORh)	H(NCH)	N(CNO)(H)2	C(NHH)(NHN)(ORh)	H(NCH)	120.2100	0.445	2	120.2100	0.198	2	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(OCo)	H(NCH)	N(CNO)(H)2	C(NHH)2(OCo)	H(NCH)	118.7744	2.075	10	118.7744	4.304	10	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(OCr)	H(NCH)	N(CNO)(H)2	C(NHH)2(OCr)	H(NCH)	119.9954	0.031	11	119.9954	0.001	11	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(OCu)	H(NCH)	N(CNO)(H)2	C(NHH)2(OCu)	H(NCH)	119.9987	0.045	10	119.9987	0.002	10	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(OFe)	H(NCH)	N(CNO)(H)2	C(NHH)2(OFe)	H(NCH)	119.9797	0.043	3	119.9797	0.002	3	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(OH)	H(NCH)	N(CNO)(H)2	C(NHH)2(OH)	H(NCH)	119.6058	1.438	36	119.6058	2.067	36	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(OMg)	H(NCH)	N(CNO)(H)2	C(NHH)2(OMg)	H(NCH)	119.9900	0.356	47	119.9900	0.127	47	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(ONi)	H(NCH)	N(CNO)(H)2	C(NHH)2(ONi)	H(NCH)	119.0595	3.667	21	119.0595	13.446	21	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(OSn)	H(NCH)	N(CNO)(H)2	C(NHH)2(OSn)	H(NCH)	119.4816	2.286	14	119.4816	5.225	14	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(OZn)	H(NCH)	N(CNO)(H)2	C(NHH)2(OZn)	H(NCH)	118.1268	1.963	12	118.1268	3.855	12	119.4118	7.307	229	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NCH)(NHH)(SAg)	H(NCH)	N(CNS)(H)2	C(NCH)(NHH)(SAg)	H(NCH)	119.8180	1.303	5	119.8180	1.697	5	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NCH)(NHH)(SCu)	H(NCH)	N(CNS)(H)2	C(NCH)(NHH)(SCu)	H(NCH)	119.1575	2.806	4	119.1575	7.876	4	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NCH)(NHH)(SPt)	H(NCH)	N(CNS)(H)2	C(NCH)(NHH)(SPt)	H(NCH)	119.9914	0.037	10	119.9914	0.001	10	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NCH)(NHH)(SS)	H(NCH)	N(CNS)(H)2	C(NCH)(NHH)(SS)	H(NCH)	120.0080	0.042	2	120.0080	0.002	2	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NCH)(NHH)(SZn)	H(NCH)	N(CNS)(H)2	C(NCH)(NHH)(SZn)	H(NCH)	120.0113	0.035	4	120.0113	0.001	4	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NC[6a]H)(NHH)(SAg)	H(NCH)	N(CNS)(H)2	C(NC[6a]H)(NHH)(SAg)	H(NCH)	120.0027	0.062	4	120.0027	0.004	4	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NC[6a]H)(NHH)(SCu)	H(NCH)	N(CNS)(H)2	C(NC[6a]H)(NHH)(SCu)	H(NCH)	118.5842	2.134	8	118.5842	4.556	8	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SAg)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SAg)	H(NCH)	120.0030	0.033	5	120.0030	0.001	5	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SC)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SC)	H(NCH)	119.8653	0.736	4	119.8653	0.542	4	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SCd)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SCd)	H(NCH)	119.9848	0.074	8	119.9848	0.005	8	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SCu)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SCu)	H(NCH)	119.6382	0.807	8	119.6382	0.651	8	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SHg)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SHg)	H(NCH)	119.9400	0.059	2	119.9400	0.004	2	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SMn)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SMn)	H(NCH)	120.0721	3.716	8	120.0721	13.805	8	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SNi)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SNi)	H(NCH)	120.9219	2.707	24	120.9219	7.328	24	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SPb)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SPb)	H(NCH)	119.9843	0.033	4	119.9843	0.001	4	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SPd)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SPd)	H(NCH)	119.3060	1.612	4	119.3060	2.598	4	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SPt)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SPt)	H(NCH)	120.0082	0.050	5	120.0082	0.003	5	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SRe)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SRe)	H(NCH)	120.0380	0.067	6	120.0380	0.005	6	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SRu)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SRu)	H(NCH)	119.5863	3.316	4	119.5863	10.999	4	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SSn)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SSn)	H(NCH)	119.9985	0.008	2	119.9985	0.000	2	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(SZn)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(SZn)	H(NCH)	119.6513	1.063	21	119.6513	1.130	21	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SAg)	H(NCH)	N(CNS)(H)2	C(NHH)2(SAg)	H(NCH)	120.0492	0.047	6	120.0492	0.002	6	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SBi)	H(NCH)	N(CNS)(H)2	C(NHH)2(SBi)	H(NCH)	119.9808	0.152	30	119.9808	0.023	30	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SC)	H(NCH)	N(CNS)(H)2	C(NHH)2(SC)	H(NCH)	119.6872	2.729	57	119.6872	7.447	57	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SCd)	H(NCH)	N(CNS)(H)2	C(NHH)2(SCd)	H(NCH)	120.0148	1.220	42	120.0148	1.489	42	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SCo)	H(NCH)	N(CNS)(H)2	C(NHH)2(SCo)	H(NCH)	118.8126	3.016	26	118.8126	9.095	26	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SCu)	H(NCH)	N(CNS)(H)2	C(NHH)2(SCu)	H(NCH)	119.7923	1.161	32	119.7923	1.347	32	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SFe)	H(NCH)	N(CNS)(H)2	C(NHH)2(SFe)	H(NCH)	119.9822	0.018	5	119.9822	0.000	5	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SH)	H(NCH)	N(CNS)(H)2	C(NHH)2(SH)	H(NCH)	119.8027	2.155	20	119.8027	4.646	20	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SI)	H(NCH)	N(CNS)(H)2	C(NHH)2(SI)	H(NCH)	120.0653	0.307	11	120.0653	0.094	11	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SMn)	H(NCH)	N(CNS)(H)2	C(NHH)2(SMn)	H(NCH)	119.9925	0.037	4	119.9925	0.001	4	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SNi)	H(NCH)	N(CNS)(H)2	C(NHH)2(SNi)	H(NCH)	119.3238	2.716	23	119.3238	7.375	23	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SPd)	H(NCH)	N(CNS)(H)2	C(NHH)2(SPd)	H(NCH)	120.0046	0.023	5	120.0046	0.001	5	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SPt)	H(NCH)	N(CNS)(H)2	C(NHH)2(SPt)	H(NCH)	119.9998	0.056	52	119.9998	0.003	52	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SRu)	H(NCH)	N(CNS)(H)2	C(NHH)2(SRu)	H(NCH)	119.9945	0.188	4	119.9945	0.035	4	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SS)	H(NCH)	N(CNS)(H)2	C(NHH)2(SS)	H(NCH)	120.1309	1.237	28	120.1309	1.531	28	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SSn)	H(NCH)	N(CNS)(H)2	C(NHH)2(SSn)	H(NCH)	120.0842	2.919	16	120.0842	8.520	16	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SZn)	H(NCH)	N(CNS)(H)2	C(NHH)2(SZn)	H(NCH)	119.6706	3.899	26	119.6706	15.201	26	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NNiN)(NHH)(SNi)	H(NCH)	N(CNS)(H)2	C(NNiN)(NHH)(SNi)	H(NCH)	119.9760	0.068	2	119.9760	0.005	2	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NSnN)(NHH)(SSn)	H(NCH)	N(CNS)(H)2	C(NSnN)(NHH)(SSn)	H(NCH)	119.9835	0.045	2	119.9835	0.002	2	119.8393	3.828	533	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[5]-3:N-3:N-2:	N-3:	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)(NCo)	H(NCH)	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)(NCo)	H(NCH)	118.8820	2.595	2	118.8820	6.734	2	118.8365	4.310	4	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[5]-3:N-3:N-2:	N-3:	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)(NNi)	H(NCH)	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)(NNi)	H(NCH)	118.7910	2.488	2	118.7910	6.188	2	118.8365	4.310	4	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[5]-3:N-3:S-2:	N-3:	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SCd)	H(NCH)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SCd)	H(NCH)	119.9730	0.004	2	119.9730	0.000	2	120.1177	1.250	10	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[5]-3:N-3:S-2:	N-3:	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SCo)	H(NCH)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SCo)	H(NCH)	119.8932	0.070	4	119.8932	0.005	4	120.1177	1.250	10	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[5]-3:N-3:S-2:	N-3:	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SNi)	H(NCH)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SNi)	H(NCH)	120.4145	1.883	4	120.4145	3.547	4	120.1177	1.250	10	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(CN[5a]N)(H)2	C(N[5a]C[5a,6a]C[5a])(NHH)(NN)	H(NCH)	N(CN[5a]N)(H)2	C(N[5a]C[5a,6a]C[5a])(NHH)(NN)	H(NCH)	119.7395	1.787	2	119.7395	3.193	2	120.5614	12.499	12	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(CN[5a]N)(H)2	C(N[5a]C[5a,6a]N[5a])(NHH)(NN)	H(NCH)	N(CN[5a]N)(H)2	C(N[5a]C[5a,6a]N[5a])(NHH)(NN)	H(NCH)	119.4470	2.046	2	119.4470	4.188	2	120.5614	12.499	12	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(CN[5a]N)(H)2	C(N[5a]C[5a]N[5a])(NHH)(NC)	H(NCH)	N(CN[5a]N)(H)2	C(N[5a]C[5a]N[5a])(NHH)(NC)	H(NCH)	121.0455	4.216	8	121.0455	17.772	8	120.5614	12.499	12	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[5a]-3:N-3:S-2:	N-3:	N(CN[5a]S)(H)2	C(N[5a]C[5a]N[5a])(NHH)(SRu)	H(NCH)	N(CN[5a]S)(H)2	C(N[5a]C[5a]N[5a])(NHH)(SRu)	H(NCH)	120.0295	0.023	4	120.0295	0.001	4	120.0295	0.001	4	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[6]-3:N-3:N-2:	N-3:	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NC)	H(NCH)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NC)	H(NCH)	119.3180	1.288	2	119.3180	1.660	2	118.1185	5.273	6	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[6]-3:N-3:N-2:	N-3:	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NH)	H(NCH)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NH)	H(NCH)	117.5187	2.607	4	117.5187	6.797	4	118.1185	5.273	6	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[6]-3:N-3:O-2:	N-3:	N(CN[6]O)(H)2	C(N[6]C[6]2)(NHH)(OZn)	H(NCH)	N(CN[6]O)(H)2	C(N[6]C[6]2)(NHH)(OZn)	H(NCH)	117.4689	5.438	7	117.4689	29.567	7	117.4689	29.567	7	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	S-3:N-3:N-2:	N-3:	N(CNS)(H)2	C(SNi2)(NHH)(NN)	H(NCH)	N(CNS)(H)2	C(SNi2)(NHH)(NN)	H(NCH)	120.0053	0.037	3	120.0053	0.001	3	119.9963	0.184	18	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	S-3:N-3:N-2:	N-3:	N(CNS)(H)2	C(SPd2)(NHH)(NN)	H(NCH)	N(CNS)(H)2	C(SPd2)(NHH)(NN)	H(NCH)	119.9894	0.665	8	119.9894	0.442	8	119.9963	0.184	18	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	S-3:N-3:N-2:	N-3:	N(CNS)(H)2	C(SPt2)(NHH)(NN)	H(NCH)	N(CNS)(H)2	C(SPt2)(NHH)(NN)	H(NCH)	120.0003	0.060	7	120.0003	0.004	7	119.9963	0.184	18	119.5435	5.955	1712	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(H)2	C(CCC)2(NHH)	H(NCH)	N(CCC)(H)2	C(CCC)2(NHH)	H(NCH)	120.7995	4.284	2	120.7995	18.356	2	119.6350	16.155	8	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(H)2	C(CCH)(CCO)(NHH)	H(NCH)	N(CCC)(H)2	C(CCH)(CCO)(NHH)	H(NCH)	119.2468	4.269	6	119.2468	18.223	6	119.6350	16.155	8	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C)(H)2	C(CC[6a]N[5a])(C[6a]C[6a]2)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(CC[6a]N[5a])(C[6a]C[6a]2)(NHH)	H(NCH)	119.9990	0.040	2	119.9990	0.002	2	119.9990	0.002	2	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(H)2	C(CCC)(NCH)(NHH)	H(NCH)	N(CCN)(H)2	C(CCC)(NCH)(NHH)	H(NCH)	109.5640	0.570	2	109.5640	0.325	2	119.4351	5.773	55	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(H)2	C(CCC)(NHH)2	H(NCH)	N(CCN)(H)2	C(CCC)(NHH)2	H(NCH)	119.9245	1.746	4	119.9245	3.049	4	119.4351	5.773	55	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(H)2	C(CCH)(NCH)(NHH)	H(NCH)	N(CCN)(H)2	C(CCH)(NCH)(NHH)	H(NCH)	121.9430	0.016	2	121.9430	0.000	2	119.4351	5.773	55	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(H)2	C(CC[5]N)(NHH)2	H(NCH)	N(CCN)(H)2	C(CC[5]N)(NHH)2	H(NCH)	119.3601	1.365	15	119.3601	1.864	15	119.4351	5.773	55	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(H)2	C(CC[5a]N)(NHH)2	H(NCH)	N(CCN)(H)2	C(CC[5a]N)(NHH)2	H(NCH)	120.0124	0.037	11	120.0124	0.001	11	119.4351	5.773	55	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(H)2	C(CC[6a]N)(NHH)2	H(NCH)	N(CCN)(H)2	C(CC[6a]N)(NHH)2	H(NCH)	120.0307	0.030	3	120.0307	0.001	3	119.4351	5.773	55	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(H)2	C(CHH)(NHH)2	H(NCH)	N(CCN)(H)2	C(CHH)(NHH)2	H(NCH)	120.8310	0.409	2	120.8310	0.167	2	119.4351	5.773	55	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(H)2	C(CNN)(NCH)(NHH)	H(NCH)	N(CCN)(H)2	C(CNN)(NCH)(NHH)	H(NCH)	120.0162	0.045	4	120.0162	0.002	4	119.4351	5.773	55	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(H)2	C(CNN)(NHH)(NHN)	H(NCH)	N(CCN)(H)2	C(CNN)(NHH)(NHN)	H(NCH)	119.3865	3.194	2	119.3865	10.202	2	119.4351	5.773	55	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(H)2	C(CNN)(NHH)(NHO)	H(NCH)	N(CCN)(H)2	C(CNN)(NHH)(NHO)	H(NCH)	118.3295	0.090	2	118.3295	0.008	2	119.4351	5.773	55	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(H)2	C(CNN)(NHH)2	H(NCH)	N(CCN)(H)2	C(CNN)(NHH)2	H(NCH)	119.8036	2.500	8	119.8036	6.249	8	119.4351	5.773	55	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5])(H)2	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHH)	H(NCH)	N(CC[6a]C[5])(H)2	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHH)	H(NCH)	119.9920	0.039	4	119.9920	0.001	4	119.9810	0.001	7	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5])(H)2	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHH)	H(NCH)	N(CC[6a]C[5])(H)2	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHH)	H(NCH)	119.9663	0.011	3	119.9663	0.000	3	119.9810	0.001	7	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N-3:	N(CC[5a]2)(H)2	C(C[5a]C[5a]N[5a])2(NHH)	H(NCH)	N(CC[5a]2)(H)2	C(C[5a]C[5a]N[5a])2(NHH)	H(NCH)	119.9810	0.000	1	119.9810	0.000	1	119.9810	0.000	1	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:N-3:	N-3:	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NOU)	H(NCH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NOU)	H(NCH)	119.7258	6.623	4	119.7258	43.867	4	119.7258	43.867	4	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]2)(NHH)2	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]2)(NHH)2	H(NCH)	120.0102	0.024	8	120.0102	0.001	8	119.8525	3.294	143	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NCoN)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NCoN)(NHH)	H(NCH)	120.0035	0.058	6	120.0035	0.003	6	119.8525	3.294	143	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NCuN)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NCuN)(NHH)	H(NCH)	120.0180	0.027	4	120.0180	0.001	4	119.8525	3.294	143	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NFeN)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NFeN)(NHH)	H(NCH)	119.9464	1.288	15	119.9464	1.659	15	119.8525	3.294	143	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NMnN)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NMnN)(NHH)	H(NCH)	119.8329	1.739	54	119.8329	3.025	54	119.8525	3.294	143	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NNiN)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NNiN)(NHH)	H(NCH)	119.3849	3.932	19	119.3849	15.464	19	119.8525	3.294	143	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NNiO)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NNiO)(NHH)	H(NCH)	120.0195	0.038	15	120.0195	0.001	15	119.8525	3.294	143	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NZnH)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NZnH)(NHH)	H(NCH)	120.0012	0.023	4	120.0012	0.001	4	119.8525	3.294	143	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NZnN)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NZnN)(NHH)	H(NCH)	120.0273	0.068	3	120.0273	0.005	3	119.8525	3.294	143	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]N[6]2)(NNiN)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]N[6]2)(NNiN)(NHH)	H(NCH)	119.9913	0.075	15	119.9913	0.006	15	119.8525	3.294	143	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	H(NCH)	118.6915	2.986	2	118.6915	8.917	2	119.9185	2.440	33	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	H(NCH)	120.1107	0.338	13	120.1107	0.114	13	119.9185	2.440	33	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCH)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCH)(NHH)	H(NCH)	120.0015	0.005	2	120.0015	0.000	2	119.9185	2.440	33	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	H(NCH)	120.0608	1.931	9	120.0608	3.730	9	119.9185	2.440	33	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	H(NCH)	119.0430	5.521	2	119.0430	30.482	2	119.9185	2.440	33	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHS)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHS)(NHH)	H(NCH)	119.8770	1.482	2	119.8770	2.197	2	119.9185	2.440	33	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CN[5]C)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CN[5]C)(NHH)	H(NCH)	120.0333	0.053	3	120.0333	0.003	3	119.9185	2.440	33	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C[6]-3:N-3:	N-3:	N(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	H(NCH)	N(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	H(NCH)	119.1132	1.601	6	119.1132	2.562	6	119.1132	2.562	6	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(NHH)	H(NCH)	N(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(NHH)	H(NCH)	122.1200	0.091	2	122.1200	0.008	2	122.1200	0.008	2	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6,6a]C[6a])(NHH)2	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6,6a]C[6a])(NHH)2	H(NCH)	119.8810	2.434	20	119.8810	5.926	20	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a,6a]C[6a])(NCH)(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a,6a]C[6a])(NCH)(NHH)	H(NCH)	120.6170	0.464	2	120.6170	0.215	2	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a,6a]C[6a])(NHH)2	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a,6a]C[6a])(NHH)2	H(NCH)	119.5754	2.992	48	119.5754	8.952	48	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NCC)(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NCC)(NHH)	H(NCH)	120.7336	1.473	5	120.7336	2.168	5	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NCH)(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NCH)(NHH)	H(NCH)	120.0350	0.006	2	120.0350	0.000	2	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	H(NCH)	119.8528	1.484	4	119.8528	2.202	4	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]Rh)(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]Rh)(NHH)	H(NCH)	120.4262	0.585	4	120.4262	0.342	4	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NHO)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NHO)	H(NCH)	120.0273	0.029	6	120.0273	0.001	6	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	H(NCH)	120.0271	1.940	246	120.0271	3.763	246	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NPdO)(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NPdO)(NHH)	H(NCH)	119.4132	2.171	6	119.4132	4.712	6	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NPtO)(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NPtO)(NHH)	H(NCH)	120.2496	1.969	24	120.2496	3.877	24	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NZnO)(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NZnO)(NHH)	H(NCH)	120.0040	0.048	10	120.0040	0.002	10	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	H(NCH)	120.4299	2.063	8	120.4299	4.257	8	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)2	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)2	H(NCH)	121.4159	3.191	12	121.4159	10.185	12	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]N[6a]2)(NBH)(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]N[6a]2)(NBH)(NHH)	H(NCH)	118.6970	2.495	2	118.6970	6.223	2	120.0263	4.468	399	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:C-3:N-3:	N-3:	N(CCN)(H)2	C(NCoO)(CNN)(NHH)	H(NCH)	N(CCN)(H)2	C(NCoO)(CNN)(NHH)	H(NCH)	117.9240	2.585	8	117.9240	6.681	8	118.4177	4.160	14	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:C-3:N-3:	N-3:	N(CCN)(H)2	C(NMnC)(CCN)(NHH)	H(NCH)	N(CCN)(H)2	C(NMnC)(CCN)(NHH)	H(NCH)	118.9250	0.886	4	118.9250	0.784	4	118.4177	4.160	14	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:C-3:N-3:	N-3:	N(CCN)(H)2	C(NNiO)(CNN)(NHH)	H(NCH)	N(CCN)(H)2	C(NNiO)(CNN)(NHH)	H(NCH)	119.3780	0.362	2	119.3780	0.131	2	118.4177	4.160	14	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCC)(NCH)(NHH)	H(NCH)	N(CNN)(H)2	C(NCC)(NCH)(NHH)	H(NCH)	120.8298	3.017	16	120.8298	9.103	16	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCC)(NHH)2	H(NCH)	N(CNN)(H)2	C(NCC)(NHH)2	H(NCH)	120.2087	1.372	48	120.2087	1.883	48	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCC)2(NHH)	H(NCH)	N(CNN)(H)2	C(NCC)2(NHH)	H(NCH)	120.3846	1.252	51	120.3846	1.567	51	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCH)(NHH)(NHN)	H(NCH)	N(CNN)(H)2	C(NCH)(NHH)(NHN)	H(NCH)	118.4232	1.843	4	118.4232	3.395	4	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCH)(NHH)2	H(NCH)	N(CNN)(H)2	C(NCH)(NHH)2	H(NCH)	119.5439	2.430	504	119.5439	5.905	504	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCH)2(NHH)	H(NCH)	N(CNN)(H)2	C(NCH)2(NHH)	H(NCH)	119.1235	0.952	10	119.1235	0.906	10	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[5]H)(NCoH)(NHH)	H(NCH)	N(CNN)(H)2	C(NC[5]H)(NCoH)(NHH)	H(NCH)	118.3495	0.416	2	118.3495	0.173	2	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[5]H)(NCuH)(NHH)	H(NCH)	N(CNN)(H)2	C(NC[5]H)(NCuH)(NHH)	H(NCH)	119.9630	0.010	2	119.9630	0.000	2	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[5]H)(NHH)2	H(NCH)	N(CNN)(H)2	C(NC[5]H)(NHH)2	H(NCH)	119.9920	0.037	2	119.9920	0.001	2	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[5]H)(NRuH)(NHH)	H(NCH)	N(CNN)(H)2	C(NC[5]H)(NRuH)(NHH)	H(NCH)	120.0563	0.151	4	120.0563	0.023	4	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[5a]H)(NHH)2	H(NCH)	N(CNN)(H)2	C(NC[5a]H)(NHH)2	H(NCH)	118.5129	2.256	22	118.5129	5.091	22	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[6]H)(NHH)2	H(NCH)	N(CNN)(H)2	C(NC[6]H)(NHH)2	H(NCH)	119.9665	0.061	4	119.9665	0.004	4	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[6a]C)2(NHH)	H(NCH)	N(CNN)(H)2	C(NC[6a]C)2(NHH)	H(NCH)	118.8912	1.837	4	118.8912	3.374	4	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[6a]H)(NCH)(NHH)	H(NCH)	N(CNN)(H)2	C(NC[6a]H)(NCH)(NHH)	H(NCH)	119.3680	2.133	10	119.3680	4.548	10	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[6a]H)(NHH)2	H(NCH)	N(CNN)(H)2	C(NC[6a]H)(NHH)2	H(NCH)	119.9182	0.366	39	119.9182	0.134	39	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[6a]H)2(NHH)	H(NCH)	N(CNN)(H)2	C(NC[6a]H)2(NHH)	H(NCH)	119.4725	1.059	25	119.4725	1.121	25	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[6a]Pt)(NC[6a]C)(NHH)	H(NCH)	N(CNN)(H)2	C(NC[6a]Pt)(NC[6a]C)(NHH)	H(NCH)	120.2517	3.036	28	120.2517	9.216	28	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCoC)(NCC)(NHH)	H(NCH)	N(CNN)(H)2	C(NCoC)(NCC)(NHH)	H(NCH)	121.0005	8.431	2	121.0005	71.079	2	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCoN)(NHH)(NHN)	H(NCH)	N(CNN)(H)2	C(NCoN)(NHH)(NHN)	H(NCH)	119.6835	0.980	6	119.6835	0.961	6	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCuC)(NCH)(NHH)	H(NCH)	N(CNN)(H)2	C(NCuC)(NCH)(NHH)	H(NCH)	120.0107	0.039	16	120.0107	0.002	16	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCuC)(NHH)2	H(NCH)	N(CNN)(H)2	C(NCuC)(NHH)2	H(NCH)	117.1129	3.718	8	117.1129	13.826	8	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCuH)(NCH)(NHH)	H(NCH)	N(CNN)(H)2	C(NCuH)(NCH)(NHH)	H(NCH)	121.2083	5.338	6	121.2083	28.493	6	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NHH)(NHN)2	H(NCH)	N(CNN)(H)2	C(NHH)(NHN)2	H(NCH)	119.1014	2.021	52	119.1014	4.086	52	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NHH)2(NHN)	H(NCH)	N(CNN)(H)2	C(NHH)2(NHN)	H(NCH)	119.6302	1.711	318	119.6302	2.929	318	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NHH)3	H(NCH)	N(CNN)(H)2	C(NHH)3	H(NCH)	119.7297	1.596	2312	119.7297	2.548	2312	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NMnH)(NCH)(NHH)	H(NCH)	N(CNN)(H)2	C(NMnH)(NCH)(NHH)	H(NCH)	119.9913	0.043	9	119.9913	0.002	9	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NN[5a]H)(NHH)2	H(NCH)	N(CNN)(H)2	C(NN[5a]H)(NHH)2	H(NCH)	119.7673	1.986	4	119.7673	3.946	4	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NNiH)(NCH)(NHH)	H(NCH)	N(CNN)(H)2	C(NNiH)(NCH)(NHH)	H(NCH)	120.0265	0.043	2	120.0265	0.002	2	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NNiN)(NHH)(NHN)	H(NCH)	N(CNN)(H)2	C(NNiN)(NHH)(NHN)	H(NCH)	117.6448	3.162	6	117.6448	10.000	6	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NOsH)(NHH)(NHN)	H(NCH)	N(CNN)(H)2	C(NOsH)(NHH)(NHN)	H(NCH)	119.9810	0.040	2	119.9810	0.002	2	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NOsH)(NHH)(NHO)	H(NCH)	N(CNN)(H)2	C(NOsH)(NHH)(NHO)	H(NCH)	120.0205	0.050	2	120.0205	0.003	2	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NPtH)(NCC)(NHH)	H(NCH)	N(CNN)(H)2	C(NPtH)(NCC)(NHH)	H(NCH)	121.4551	3.565	10	121.4551	12.710	10	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NPtH)(NCH)(NHH)	H(NCH)	N(CNN)(H)2	C(NPtH)(NCH)(NHH)	H(NCH)	120.0420	2.903	2	120.0420	8.430	2	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NPtH)2(NHH)	H(NCH)	N(CNN)(H)2	C(NPtH)2(NHH)	H(NCH)	119.8060	0.000	1	119.8060	0.000	1	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NZnC)(NCC)(NHH)	H(NCH)	N(CNN)(H)2	C(NZnC)(NCC)(NHH)	H(NCH)	115.9628	4.993	6	115.9628	24.932	6	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NZnC)(NHH)2	H(NCH)	N(CNN)(H)2	C(NZnC)(NHH)2	H(NCH)	120.2803	3.478	10	120.2803	12.096	10	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NZnH)(NCH)(NHH)	H(NCH)	N(CNN)(H)2	C(NZnH)(NCH)(NHH)	H(NCH)	120.0150	0.048	2	120.0150	0.002	2	119.6945	3.341	3551	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N[5]-3:N-3:N-3:	N-3:	N(CN[5]N)(H)2	C(N[5]C[5]2)(NHH)2	H(NCH)	N(CN[5]N)(H)2	C(N[5]C[5]2)(NHH)2	H(NCH)	120.2848	4.804	4	120.2848	23.077	4	120.0933	6.316	12	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N[5]-3:N-3:N-3:	N-3:	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)2	H(NCH)	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)2	H(NCH)	119.9976	0.058	8	119.9976	0.003	8	120.0933	6.316	12	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N[5a]-3:N-3:N-3:	N-3:	N(CN[5a]N)(H)2	C(N[5a]C[5a]N[5a])(NHH)2	H(NCH)	N(CN[5a]N)(H)2	C(N[5a]C[5a]N[5a])(NHH)2	H(NCH)	120.0103	0.063	3	120.0103	0.004	3	120.0103	0.004	3	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N[6]-3:N-3:N-3:	N-3:	N(CN[6]N)(H)2	C(N[6]C[6]2)(NCH)(NHH)	H(NCH)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NCH)(NHH)	H(NCH)	119.5260	1.031	2	119.5260	1.063	2	119.9201	11.169	18	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N[6]-3:N-3:N-3:	N-3:	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)2	H(NCH)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)2	H(NCH)	120.1495	3.424	12	120.1495	11.721	12	119.9201	11.169	18	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N[6]-3:N-3:N-3:	N-3:	N(CN[6]N)(H)2	C(N[6]C[6]2)(NPtH)(NHH)	H(NCH)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NPtH)(NHH)	H(NCH)	119.4290	4.396	4	119.4290	19.327	4	119.9201	11.169	18	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	S-3:N-3:N-3:	N-3:	N(CNS)(H)2	C(SCu2)(NCH)(NHH)	H(NCH)	N(CNS)(H)2	C(SCu2)(NCH)(NHH)	H(NCH)	119.7095	5.247	2	119.7095	27.536	2	120.1415	2.377	29	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	S-3:N-3:N-3:	N-3:	N(CNS)(H)2	C(SCu2)(NHH)(NHN)	H(NCH)	N(CNS)(H)2	C(SCu2)(NHH)(NHN)	H(NCH)	119.9988	0.042	6	119.9988	0.002	6	120.1415	2.377	29	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	S-3:N-3:N-3:	N-3:	N(CNS)(H)2	C(SCu2)(NHH)2	H(NCH)	N(CNS)(H)2	C(SCu2)(NHH)2	H(NCH)	120.1185	1.237	19	120.1185	1.530	19	120.1415	2.377	29	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	S-3:N-3:N-3:	N-3:	N(CNS)(H)2	C(SZn2)(NHH)(NHN)	H(NCH)	N(CNS)(H)2	C(SZn2)(NHH)(NHN)	H(NCH)	121.2195	2.942	2	121.2195	8.657	2	120.1415	2.377	29	119.7311	3.553	4287	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C-3:C-4:N-3:	N-3:	N(CCC)(H)2	C(CC[4a]H)(CH3)(NHH)	H(NCH)	N(CCC)(H)2	C(CC[4a]H)(CH3)(NHH)	H(NCH)	120.5900	1.710	2	120.5900	2.923	2	120.5900	2.923	2	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5]-3:C-4:N-3:	N-3:	N(CC[5]C)(H)2	C(C[5]C[5,6a]C[5])(CH3)(NHH)	H(NCH)	N(CC[5]C)(H)2	C(C[5]C[5,6a]C[5])(CH3)(NHH)	H(NCH)	119.9952	0.014	4	119.9952	0.000	4	119.3497	4.971	6	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5]-3:C-4:N-3:	N-3:	N(CC[5]C)(H)2	C(C[5]C[5]2)(CH3)(NHH)	H(NCH)	N(CC[5]C)(H)2	C(C[5]C[5]2)(CH3)(NHH)	H(NCH)	118.0585	4.455	2	118.0585	19.851	2	119.3497	4.971	6	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[5a]-3:C-4:N-3:	N-3:	N(CC[5a]C)(H)2	C(C[5a]C[5a,5a]C[5a,6a])(CH3)(NHH)	H(NCH)	N(CC[5a]C)(H)2	C(C[5a]C[5a,5a]C[5a,6a])(CH3)(NHH)	H(NCH)	119.9975	0.056	4	119.9975	0.003	4	119.9975	0.003	4	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6]-3:C-4:N-3:	N-3:	N(CC[6]C)(H)2	C(C[6]C[6]P[6])(CH3)(NHH)	H(NCH)	N(CC[6]C)(H)2	C(C[6]C[6]P[6])(CH3)(NHH)	H(NCH)	116.9515	0.697	2	116.9515	0.485	2	116.9515	0.485	2	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[5a,6a]C[6a])(CH3)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[5a,6a]C[6a])(CH3)(NHH)	H(NCH)	117.1465	4.190	2	117.1465	17.553	2	119.2483	4.130	9	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)	H(NCH)	119.7510	1.160	4	119.7510	1.346	4	119.2483	4.130	9	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-4:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CH3)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CH3)(NHH)	H(NCH)	119.9793	0.019	3	119.9793	0.000	3	119.2483	4.130	9	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N-3:C-4:N-3:	N-3:	N(CCN)(H)2	C(NC[6a]H)(CH3)(NHH)	H(NCH)	N(CCN)(H)2	C(NC[6a]H)(CH3)(NHH)	H(NCH)	120.0042	0.063	4	120.0042	0.004	4	119.9932	0.002	12	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N-3:C-4:N-3:	N-3:	N(CCN)(H)2	C(NPtO)(CH3)(NHH)	H(NCH)	N(CCN)(H)2	C(NPtO)(CH3)(NHH)	H(NCH)	119.9825	0.023	2	119.9825	0.001	2	119.9932	0.002	12	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N-3:C-4:N-3:	N-3:	N(CCN)(H)2	C(NReH)(CH3)(NHH)	H(NCH)	N(CCN)(H)2	C(NReH)(CH3)(NHH)	H(NCH)	119.9750	0.035	2	119.9750	0.001	2	119.9932	0.002	12	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N-3:C-4:N-3:	N-3:	N(CCN)(H)2	C(NZnO)(CH3)(NHH)	H(NCH)	N(CCN)(H)2	C(NZnO)(CH3)(NHH)	H(NCH)	119.9965	0.033	4	119.9965	0.001	4	119.9932	0.002	12	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N[5]-3:C-4:N-3:	N-3:	N(CN[5]C)(H)2	C(N[5]C[5]2)(CH3)(NHH)	H(NCH)	N(CN[5]C)(H)2	C(N[5]C[5]2)(CH3)(NHH)	H(NCH)	119.9670	0.000	1	119.9670	0.000	1	119.9670	0.000	1	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	3:4:3:	3:	C-3:H-1:H-1:	N[6]-3:C-4:N-3:	N-3:	N(CN[6]C)(H)2	C(N[6]C[6]2)(CH3)(NHH)	H(NCH)	N(CN[6]C)(H)2	C(N[6]C[6]2)(CH3)(NHH)	H(NCH)	119.8285	4.819	2	119.8285	23.222	2	119.8285	23.222	2	119.5776	2.831	38	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CBr3)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CBr3)(NHH)(O)	H(NCH)	121.0888	3.095	6	121.0888	9.577	6	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CBrCH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CBrCH)(NHH)(O)	H(NCH)	120.0050	0.048	2	120.0050	0.002	2	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC3)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC3)(NHH)(O)	H(NCH)	117.3305	5.369	6	117.3305	28.824	6	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCCH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCCH)(NHH)(O)	H(NCH)	119.5345	1.599	14	119.5345	2.556	14	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCCN)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCCN)(NHH)(O)	H(NCH)	119.8523	1.251	6	119.8523	1.566	6	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCCO)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCCO)(NHH)(O)	H(NCH)	119.9980	0.019	4	119.9980	0.000	4	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCFF)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCFF)(NHH)(O)	H(NCH)	119.9910	0.090	3	119.9910	0.008	3	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCFH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCFH)(NHH)(O)	H(NCH)	118.3325	1.756	4	118.3325	3.083	4	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCHH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCHH)(NHH)(O)	H(NCH)	119.8426	1.693	203	119.8426	2.866	203	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCHN)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCHN)(NHH)(O)	H(NCH)	119.9194	2.627	77	119.9194	6.899	77	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCHO)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCHO)(NHH)(O)	H(NCH)	119.6069	1.536	22	119.6069	2.359	22	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCOO)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCOO)(NHH)(O)	H(NCH)	119.9900	0.021	2	119.9900	0.000	2	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[5]HH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[5]HH)(NHH)(O)	H(NCH)	120.0150	0.579	30	120.0150	0.335	30	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[5a]CH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[5a]CH)(NHH)(O)	H(NCH)	119.4154	2.634	7	119.4154	6.940	7	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[5a]HH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[5a]HH)(NHH)(O)	H(NCH)	117.7950	2.899	2	117.7950	8.405	2	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6]HH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6]HH)(NHH)(O)	H(NCH)	120.0097	0.071	4	120.0097	0.005	4	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6a]2C)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6a]2C)(NHH)(O)	H(NCH)	121.4995	0.359	2	121.4995	0.129	2	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6a]2H)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6a]2H)(NHH)(O)	H(NCH)	119.5275	2.446	24	119.5275	5.981	24	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6a]CC)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6a]CC)(NHH)(O)	H(NCH)	121.2375	5.397	2	121.2375	29.131	2	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6a]CH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6a]CH)(NHH)(O)	H(NCH)	119.9157	2.012	32	119.9157	4.047	32	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6a]C[6]C)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6a]C[6]C)(NHH)(O)	H(NCH)	118.4050	1.459	2	118.4050	2.130	2	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6a]C[6]H)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6a]C[6]H)(NHH)(O)	H(NCH)	120.5135	0.327	2	120.5135	0.107	2	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6a]HH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6a]HH)(NHH)(O)	H(NCH)	119.4522	1.674	18	119.4522	2.802	18	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CC[6a]HN)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CC[6a]HN)(NHH)(O)	H(NCH)	119.8864	2.212	52	119.8864	4.892	52	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCoCH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCoCH)(NHH)(O)	H(NCH)	113.3700	5.934	2	113.3700	35.213	2	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CH3)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CH3)(NHH)(O)	H(NCH)	120.4825	2.569	34	120.4825	6.600	34	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CHHN)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CHHN)(NHH)(O)	H(NCH)	119.6953	1.790	131	119.6953	3.204	131	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CHHO)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CHHO)(NHH)(O)	H(NCH)	119.7418	2.544	16	119.7418	6.474	16	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CHHS)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CHHS)(NHH)(O)	H(NCH)	119.3376	1.404	20	119.3376	1.973	20	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CN[4]HH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CN[4]HH)(NHH)(O)	H(NCH)	119.9285	0.037	2	119.9285	0.001	2	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CN[5]CH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CN[5]CH)(NHH)(O)	H(NCH)	119.8024	1.792	47	119.8024	3.213	47	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CN[5]HH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CN[5]HH)(NHH)(O)	H(NCH)	119.4115	1.936	55	119.4115	3.748	55	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CN[6]HH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CN[6]HH)(NHH)(O)	H(NCH)	120.1847	0.695	35	120.1847	0.482	35	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CN[6a]HH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CN[6a]HH)(NHH)(O)	H(NCH)	118.9430	0.799	2	118.9430	0.638	2	119.7741	3.942	870	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:S-1:	N-3:	N(CCS)(H)2	C(CH3)(NHH)(S)	H(NCH)	N(CCS)(H)2	C(CH3)(NHH)(S)	H(NCH)	119.9250	0.802	6	119.9250	0.644	6	119.9250	0.644	6	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(H)2	C(C[3]C[3]2C)(NHH)(O)	H(NCH)	N(CC[3]O)(H)2	C(C[3]C[3]2C)(NHH)(O)	H(NCH)	120.1715	1.760	2	120.1715	3.098	2	119.8586	0.937	12	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(H)2	C(C[3]C[3]2H)(NHH)(O)	H(NCH)	N(CC[3]O)(H)2	C(C[3]C[3]2H)(NHH)(O)	H(NCH)	119.9673	1.213	4	119.9673	1.471	4	119.8586	0.937	12	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(H)2	C(C[3]C[3]O[3]C)(NHH)(O)	H(NCH)	N(CC[3]O)(H)2	C(C[3]C[3]O[3]C)(NHH)(O)	H(NCH)	119.9922	0.031	4	119.9922	0.001	4	119.8586	0.937	12	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(H)2	C(C[3]C[6a]C[3]2)(NHH)(O)	H(NCH)	N(CC[3]O)(H)2	C(C[3]C[6a]C[3]2)(NHH)(O)	H(NCH)	119.0610	1.100	2	119.0610	1.211	2	119.8586	0.937	12	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[3x4,3x6]-4:N-3:O-1:	N-3:	N(CC[3x4,3x6]O)(H)2	C(C[3x4,3x6]C[3x4,3x6]3)(NHH)(O)	H(NCH)	N(CC[3x4,3x6]O)(H)2	C(C[3x4,3x6]C[3x4,3x6]3)(NHH)(O)	H(NCH)	121.3530	3.412	2	121.3530	11.645	2	121.3530	11.645	2	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[4]O)(H)2	C(C[4]C[4]2H)(NHH)(O)	H(NCH)	N(CC[4]O)(H)2	C(C[4]C[4]2H)(NHH)(O)	H(NCH)	121.0027	1.686	4	121.0027	2.842	4	121.0563	2.834	8	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[4]O)(H)2	C(C[4]C[4]N[4]H)(NHH)(O)	H(NCH)	N(CC[4]O)(H)2	C(C[4]C[4]N[4]H)(NHH)(O)	H(NCH)	121.1097	1.940	4	121.1097	3.763	4	121.0563	2.834	8	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,5,6]-4:N-3:O-1:	N-3:	N(CC[5,5,6]O)(H)2	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(NHH)(O)	H(NCH)	N(CC[5,5,6]O)(H)2	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(NHH)(O)	H(NCH)	118.6600	1.962	2	118.6600	3.848	2	118.6600	3.848	2	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[5,6]O)(H)2	C(C[5,6]C[5,5,6]2H)(NHH)(O)	H(NCH)	N(CC[5,6]O)(H)2	C(C[5,6]C[5,5,6]2H)(NHH)(O)	H(NCH)	118.3470	3.650	2	118.3470	13.323	2	117.3565	6.794	4	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[5,6]O)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(NHH)(O)	H(NCH)	N(CC[5,6]O)(H)2	C(C[5,6]C[5,5,6]C[5,6]H)(NHH)(O)	H(NCH)	116.3660	1.771	2	116.3660	3.135	2	117.3565	6.794	4	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5,6]C[5]H)(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5,6]C[5]H)(NHH)(O)	H(NCH)	119.6540	2.260	2	119.6540	5.107	2	119.9159	2.489	123	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]2C)(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]2C)(NHH)(O)	H(NCH)	119.9127	1.005	30	119.9127	1.011	30	119.9159	2.489	123	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]2Fe)(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]2Fe)(NHH)(O)	H(NCH)	120.0335	0.022	2	120.0335	0.000	2	119.9159	2.489	123	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]2H)(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]2H)(NHH)(O)	H(NCH)	119.6241	2.017	14	119.6241	4.068	14	119.9159	2.489	123	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]2N)(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]2N)(NHH)(O)	H(NCH)	119.9493	0.047	3	119.9493	0.002	3	119.9159	2.489	123	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]N[5]C)(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]N[5]C)(NHH)(O)	H(NCH)	119.9890	0.137	4	119.9890	0.019	4	119.9159	2.489	123	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]N[5]H)(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]N[5]H)(NHH)(O)	H(NCH)	120.4454	3.443	12	120.4454	11.853	12	119.9159	2.489	123	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]O[5]C)(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]O[5]C)(NHH)(O)	H(NCH)	120.5075	2.271	2	120.5075	5.155	2	119.9159	2.489	123	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]O[5]H)(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]O[5]H)(NHH)(O)	H(NCH)	119.9171	0.946	43	119.9171	0.896	43	119.9159	2.489	123	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[6a]C[5]2)(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[6a]C[5]2)(NHH)(O)	H(NCH)	120.2185	1.453	2	120.2185	2.112	2	119.9159	2.489	123	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[6a]C[5]N[5])(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[6a]C[5]N[5])(NHH)(O)	H(NCH)	119.4591	2.047	9	119.4591	4.189	9	119.9159	2.489	123	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:S-1:	N-3:	N(CC[5]S)(H)2	C(C[5]C[5]N[5]H)(NHH)(S)	H(NCH)	N(CC[5]S)(H)2	C(C[5]C[5]N[5]H)(NHH)(S)	H(NCH)	119.9915	3.277	2	119.9915	10.742	2	119.9915	10.742	2	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6,6]C[6]C)(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6,6]C[6]C)(NHH)(O)	H(NCH)	119.5425	0.787	2	119.5425	0.619	2	119.6673	4.762	125	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6,6]C[6]H)(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6,6]C[6]H)(NHH)(O)	H(NCH)	120.0040	0.255	2	120.0040	0.065	2	119.6673	4.762	125	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]2C)(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]2C)(NHH)(O)	H(NCH)	119.9936	0.109	8	119.9936	0.012	8	119.6673	4.762	125	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]2H)(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]2H)(NHH)(O)	H(NCH)	119.4636	1.805	64	119.4636	3.257	64	119.6673	4.762	125	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]2N)(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]2N)(NHH)(O)	H(NCH)	118.4884	4.097	8	118.4884	16.785	8	119.6673	4.762	125	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]2O)(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]2O)(NHH)(O)	H(NCH)	120.3402	1.369	6	120.3402	1.873	6	119.6673	4.762	125	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]N[6]H)(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]N[6]H)(NHH)(O)	H(NCH)	120.4925	0.918	4	120.4925	0.843	4	119.6673	4.762	125	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]O[6]C)(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]O[6]C)(NHH)(O)	H(NCH)	119.9865	0.025	4	119.9865	0.001	4	119.6673	4.762	125	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6]O[6]H)(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6]O[6]H)(NHH)(O)	H(NCH)	120.1345	2.119	11	120.1345	4.491	11	119.6673	4.762	125	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(H)2	C(C[6]C[6a]C[6]2)(NHH)(O)	H(NCH)	N(CC[6]O)(H)2	C(C[6]C[6a]C[6]2)(NHH)(O)	H(NCH)	120.0224	3.513	16	120.0224	12.340	16	119.6673	4.762	125	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[6]-4:N-3:S-1:	N-3:	N(CC[6]S)(H)2	C(C[6]C[6]2H)(NHH)(S)	H(NCH)	N(CC[6]S)(H)2	C(C[6]C[6]2H)(NHH)(S)	H(NCH)	120.2662	0.918	4	120.2662	0.843	4	120.2662	0.843	4	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	P-4:N-3:O-1:	N-3:	N(COP)(H)2	C(PMoHH)(NHH)(O)	H(NCH)	N(COP)(H)2	C(PMoHH)(NHH)(O)	H(NCH)	119.9905	0.038	4	119.9905	0.001	4	119.9905	0.001	4	119.7834	3.834	1162	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CBrNN)(NHH)(NBr)	H(NCH)	N(CCN)(H)2	C(CBrNN)(NHH)(NBr)	H(NCH)	119.9840	0.000	1	119.9840	0.000	1	119.4946	2.506	37	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CC3)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CC3)(NHH)(NO)	H(NCH)	120.0260	0.016	2	120.0260	0.000	2	119.4946	2.506	37	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CCHH)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CCHH)(NHH)(NO)	H(NCH)	119.5639	1.489	13	119.5639	2.218	13	119.4946	2.506	37	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CCHH)(NHH)(NS)	H(NCH)	N(CCN)(H)2	C(CCHH)(NHH)(NS)	H(NCH)	119.6842	2.436	4	119.6842	5.936	4	119.4946	2.506	37	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CC[6a]C[3]C)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CC[6a]C[3]C)(NHH)(NO)	H(NCH)	120.0010	0.000	1	120.0010	0.000	1	119.4946	2.506	37	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CC[6a]HH)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CC[6a]HH)(NHH)(NO)	H(NCH)	120.0046	0.027	7	120.0046	0.001	7	119.4946	2.506	37	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CCl3)(NHH)(NC)	H(NCH)	N(CCN)(H)2	C(CCl3)(NHH)(NC)	H(NCH)	120.0225	0.008	2	120.0225	0.000	2	119.4946	2.506	37	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CClNN)(NHH)(NCl)	H(NCH)	N(CCN)(H)2	C(CClNN)(NHH)(NCl)	H(NCH)	120.0230	0.000	1	120.0230	0.000	1	119.4946	2.506	37	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CH3)(NHH)(NH)	H(NCH)	N(CCN)(H)2	C(CH3)(NHH)(NH)	H(NCH)	118.2485	2.843	2	118.2485	8.084	2	119.4946	2.506	37	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CH3)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CH3)(NHH)(NO)	H(NCH)	116.5735	2.666	2	116.5735	7.110	2	119.4946	2.506	37	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CHNN)(NHH)(NN)	H(NCH)	N(CCN)(H)2	C(CHNN)(NHH)(NN)	H(NCH)	119.2250	2.517	2	119.2250	6.337	2	119.4946	2.506	37	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CCHH)(NHH)(OCr)	H(NCH)	N(CCO)(H)2	C(CCHH)(NHH)(OCr)	H(NCH)	119.9597	0.033	4	119.9597	0.001	4	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CCHH)(NHH)(OCu)	H(NCH)	N(CCO)(H)2	C(CCHH)(NHH)(OCu)	H(NCH)	119.9611	0.475	16	119.9611	0.226	16	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CCHH)(NHH)(ONi)	H(NCH)	N(CCO)(H)2	C(CCHH)(NHH)(ONi)	H(NCH)	114.5440	6.341	4	114.5440	40.208	4	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CCHH)(NHH)(OPd)	H(NCH)	N(CCO)(H)2	C(CCHH)(NHH)(OPd)	H(NCH)	120.4090	0.250	2	120.4090	0.063	2	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CCHH)(NHH)(OSn)	H(NCH)	N(CCO)(H)2	C(CCHH)(NHH)(OSn)	H(NCH)	119.8370	0.424	6	119.8370	0.180	6	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CCHO)(NHH)(OMn)	H(NCH)	N(CCO)(H)2	C(CCHO)(NHH)(OMn)	H(NCH)	117.7575	2.079	4	117.7575	4.321	4	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CCHO)(NHH)(OZn)	H(NCH)	N(CCO)(H)2	C(CCHO)(NHH)(OZn)	H(NCH)	120.0200	0.071	2	120.0200	0.005	2	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CH3)(NHH)(OC)	H(NCH)	N(CCO)(H)2	C(CH3)(NHH)(OC)	H(NCH)	119.4065	3.518	2	119.4065	12.375	2	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CH3)(NHH)(OCd)	H(NCH)	N(CCO)(H)2	C(CH3)(NHH)(OCd)	H(NCH)	120.0156	0.020	5	120.0156	0.000	5	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CH3)(NHH)(OCu)	H(NCH)	N(CCO)(H)2	C(CH3)(NHH)(OCu)	H(NCH)	120.0300	0.035	2	120.0300	0.001	2	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CH3)(NHH)(OFe)	H(NCH)	N(CCO)(H)2	C(CH3)(NHH)(OFe)	H(NCH)	114.0400	11.947	2	114.0400	142.737	2	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CH3)(NHH)(OZn)	H(NCH)	N(CCO)(H)2	C(CH3)(NHH)(OZn)	H(NCH)	119.9793	0.060	8	119.9793	0.004	8	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CHHN)(NHH)(OCd)	H(NCH)	N(CCO)(H)2	C(CHHN)(NHH)(OCd)	H(NCH)	119.9985	0.047	2	119.9985	0.002	2	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CHHN)(NHH)(OCo)	H(NCH)	N(CCO)(H)2	C(CHHN)(NHH)(OCo)	H(NCH)	119.5843	1.081	14	119.5843	1.168	14	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CHHN)(NHH)(OCu)	H(NCH)	N(CCO)(H)2	C(CHHN)(NHH)(OCu)	H(NCH)	117.2855	1.234	2	117.2855	1.523	2	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CHHN)(NHH)(OMn)	H(NCH)	N(CCO)(H)2	C(CHHN)(NHH)(OMn)	H(NCH)	120.0055	0.025	4	120.0055	0.001	4	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CHHN)(NHH)(ONi)	H(NCH)	N(CCO)(H)2	C(CHHN)(NHH)(ONi)	H(NCH)	120.2914	3.933	18	120.2914	15.472	18	119.4761	8.087	97	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:S-2:	N-3:	N(CCS)(H)2	C(CH3)(NHH)(SCd)	H(NCH)	N(CCS)(H)2	C(CH3)(NHH)(SCd)	H(NCH)	119.9900	0.054	2	119.9900	0.003	2	120.0091	0.001	8	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:S-2:	N-3:	N(CCS)(H)2	C(CH3)(NHH)(SCu)	H(NCH)	N(CCS)(H)2	C(CH3)(NHH)(SCu)	H(NCH)	120.0155	0.034	6	120.0155	0.001	6	120.0091	0.001	8	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C[5]-4:N-3:N-2:	N-3:	N(CC[5]N)(H)2	C(C[5]C[5]N[5]H)(NHH)(NO)	H(NCH)	N(CC[5]N)(H)2	C(C[5]C[5]N[5]H)(NHH)(NO)	H(NCH)	119.9855	0.011	2	119.9855	0.000	2	119.9855	0.000	2	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-2:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]N[5]H)(NHH)(OFe)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]N[5]H)(NHH)(OFe)	H(NCH)	120.3727	1.586	4	120.3727	2.516	4	120.3727	2.516	4	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	S-4:N-3:N-2:	N-3:	N(CNS)(H)2	C(SO3)(NHH)(NN)	H(NCH)	N(CNS)(H)2	C(SO3)(NHH)(NN)	H(NCH)	119.7365	5.296	2	119.7365	28.043	2	119.8545	9.367	4	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	S-4:N-3:N-2:	N-3:	N(CNS)(H)2	C(SRhOO)(NHH)(NN)	H(NCH)	N(CNS)(H)2	C(SRhOO)(NHH)(NN)	H(NCH)	119.9725	0.047	2	119.9725	0.002	2	119.8545	9.367	4	119.5489	6.013	152	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(H)2	C(CC3)(CCH)(NHH)	H(NCH)	N(CCC)(H)2	C(CC3)(CCH)(NHH)	H(NCH)	118.2720	1.370	2	118.2720	1.878	2	120.0808	4.159	20	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(H)2	C(CCHH)(CCC)(NHH)	H(NCH)	N(CCC)(H)2	C(CCHH)(CCC)(NHH)	H(NCH)	120.0490	0.047	2	120.0490	0.002	2	120.0808	4.159	20	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(H)2	C(CC[6a]HH)(CCH)(NHH)	H(NCH)	N(CCC)(H)2	C(CC[6a]HH)(CCH)(NHH)	H(NCH)	119.9670	0.006	2	119.9670	0.000	2	120.0808	4.159	20	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(H)2	C(CC[6a]HH)(CC[6a]C)(NHH)	H(NCH)	N(CCC)(H)2	C(CC[6a]HH)(CC[6a]C)(NHH)	H(NCH)	120.0140	0.014	4	120.0140	0.000	4	120.0808	4.159	20	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(H)2	C(CH3)(CCH)(NHH)	H(NCH)	N(CCC)(H)2	C(CH3)(CCH)(NHH)	H(NCH)	121.1223	2.237	4	121.1223	5.005	4	120.0808	4.159	20	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(H)2	C(CH3)(CCN)(NHH)	H(NCH)	N(CCC)(H)2	C(CH3)(CCN)(NHH)	H(NCH)	119.6513	3.883	4	119.6513	15.079	4	120.0808	4.159	20	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(H)2	C(CHHN)(CCC)(NHH)	H(NCH)	N(CCC)(H)2	C(CHHN)(CCC)(NHH)	H(NCH)	120.9450	1.929	2	120.9450	3.721	2	120.0808	4.159	20	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(H)2	C(CC3)(NHH)(NHO)	H(NCH)	N(CCN)(H)2	C(CC3)(NHH)(NHO)	H(NCH)	119.9635	0.064	2	119.9635	0.004	2	119.8959	1.857	217	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(H)2	C(CCHH)(NHH)2	H(NCH)	N(CCN)(H)2	C(CCHH)(NHH)2	H(NCH)	119.8442	0.723	35	119.8442	0.523	35	119.8959	1.857	217	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(H)2	C(CCHH)(NPtH)(NHH)	H(NCH)	N(CCN)(H)2	C(CCHH)(NPtH)(NHH)	H(NCH)	119.5277	0.954	6	119.5277	0.909	6	119.8959	1.857	217	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(H)2	C(CCHH)(NZnO)(NHH)	H(NCH)	N(CCN)(H)2	C(CCHH)(NZnO)(NHH)	H(NCH)	119.9958	0.035	4	119.9958	0.001	4	119.8959	1.857	217	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(H)2	C(CC[5]NN)(NHH)2	H(NCH)	N(CCN)(H)2	C(CC[5]NN)(NHH)2	H(NCH)	120.0025	0.041	4	120.0025	0.002	4	119.8959	1.857	217	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(H)2	C(CC[6a]CO)(NHH)2	H(NCH)	N(CCN)(H)2	C(CC[6a]CO)(NHH)2	H(NCH)	119.4093	4.428	8	119.4093	19.609	8	119.8959	1.857	217	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(H)2	C(CH3)(NCC)(NHH)	H(NCH)	N(CCN)(H)2	C(CH3)(NCC)(NHH)	H(NCH)	120.7640	4.722	4	120.7640	22.293	4	119.8959	1.857	217	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(H)2	C(CH3)(NHH)2	H(NCH)	N(CCN)(H)2	C(CH3)(NHH)2	H(NCH)	119.8660	0.901	146	119.8660	0.812	146	119.8959	1.857	217	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(H)2	C(CHNN)(NHH)2	H(NCH)	N(CCN)(H)2	C(CHNN)(NHH)2	H(NCH)	120.0035	0.024	4	120.0035	0.001	4	119.8959	1.857	217	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(H)2	C(CN3)(NHH)2	H(NCH)	N(CCN)(H)2	C(CN3)(NHH)2	H(NCH)	121.7525	3.513	4	121.7525	12.341	4	119.8959	1.857	217	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:C-3:N-3:	N-3:	N(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CCH)(NHH)	H(NCH)	N(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CCH)(NHH)	H(NCH)	116.4410	6.518	2	116.4410	42.486	2	116.4410	42.486	2	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[5]-4:N-3:N-3:	N-3:	N(CC[5]N)(H)2	C(C[5]C[5]2Fe)(NHH)2	H(NCH)	N(CC[5]N)(H)2	C(C[5]C[5]2Fe)(NHH)2	H(NCH)	119.9903	0.022	3	119.9903	0.000	3	119.9903	0.000	3	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	C[6]-4:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6,6]C[6]C)(NHH)2	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6,6]C[6]C)(NHH)2	H(NCH)	120.6725	2.927	4	120.6725	8.567	4	120.6725	8.567	4	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	P-4:N-3:N-3:	N-3:	N(CNP)(H)2	C(PC[6a]Se2)(NCC)(NHH)	H(NCH)	N(CNP)(H)2	C(PC[6a]Se2)(NCC)(NHH)	H(NCH)	119.1403	7.979	4	119.1403	63.664	4	119.5665	27.492	8	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	P-4:N-3:N-3:	N-3:	N(CNP)(H)2	C(PO3)(NHH)2	H(NCH)	N(CNP)(H)2	C(PO3)(NHH)2	H(NCH)	119.9928	0.018	4	119.9928	0.000	4	119.5665	27.492	8	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	S-4:N-3:N-3:	N-3:	N(CNS)(H)2	C(SCu3)(NHH)2	H(NCH)	N(CNS)(H)2	C(SCu3)(NHH)2	H(NCH)	120.0019	0.061	12	120.0019	0.004	12	120.0019	0.004	12	119.8915	2.901	266	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:H-1:	C-4:C-4:N-3:	N-3:	N(CCC)(H)2	C(CC3)2(NHH)	H(NCH)	N(CCC)(H)2	C(CC3)2(NHH)	H(NCH)	124.7865	0.135	2	124.7865	0.018	2	124.7865	0.018	2	127.1117	16.228	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:4:3:	3:	C-3:H-1:O-1:	C[6]-4:C-4:N-3:	N-3:	N(CC[6]C)(H)(O)	C(C[6]C[5,6]C[6]H)(CH3)(NHO)	H(NCO)	N(CC[6]C)(H)(O)	C(C[6]C[5,6]C[6]H)(CH3)(NHO)	H(NCO)	131.7620	0.000	1	131.7620	0.000	1	131.7620	0.000	1	127.1117	16.228	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	4:5:3:	3:	C-3:H-1:H-1:	C-4:N-5:N-3:	N-3:	N(CCN)(H)2	C(CC[6a]HH)(NHOUU)(NHH)	H(NCH)	N(CCN)(H)2	C(CC[6a]HH)(NHOUU)(NHH)	H(NCH)	120.6885	1.416	2	120.6885	2.006	2	120.6885	2.006	2	120.6885	2.006	2	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:1:1:	6:3:1:	3:	C-3:H-1:H-1:	C[5x3,5x5,20x6]-6:N-3:O-1:	N-3:	N(CC[5x3,5x5,20x6]O)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHH)(O)	H(NCH)	N(CC[5x3,5x5,20x6]O)(H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHH)(O)	H(NCH)	119.2805	1.008	2	119.2805	1.015	2	119.2805	1.015	2	119.2805	1.015	2	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	2:3:1:	3:	C-3:N-2:H-1:	N-2:N-3:S-1:	N-3:	N(CNS)(NC)(H)	C(NC[6a])(NHN)(S)	H(NCN)	N(CNS)(NC)(H)	C(NC[6a])(NHN)(S)	H(NCN)	115.6640	0.000	1	115.6640	0.000	1	115.6640	0.000	1	115.6640	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	2:3:3:	3:	C-3:N-2:H-1:	S-2:N-3:N-3:	N-3:	N(CNS)(NC)(H)	C(SIn[5,5])(NCH)(NHN)	H(NCN)	N(CNS)(NC)(H)	C(SIn[5,5])(NCH)(NHN)	H(NCN)	106.4980	0.000	1	106.4980	0.000	1	113.0705	86.396	2	113.0705	86.396	2	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	2:3:3:	3:	C-3:N-2:H-1:	S-2:N-3:N-3:	N-3:	N(CNS)(NC)(H)	C(SIn[5,5])(NHH)(NHN)	H(NCN)	N(CNS)(NC)(H)	C(SIn[5,5])(NHH)(NHN)	H(NCN)	119.6430	0.000	1	119.6430	0.000	1	113.0705	86.396	2	113.0705	86.396	2	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:1:1:	3:	C-3:N-2:H-1:	N-3:H-1:O-1:	N-3:	N(CHO)(NC)(H)	C(NHN)(H)(O)	H(NCN)	N(CHO)(NC)(H)	C(NHN)(H)(O)	H(NCN)	120.2352	1.050	5	120.2352	1.103	5	120.2352	1.103	5	120.2352	1.103	5	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	N-3:N-2:O-1:	N-3:	N(CNO)(NC)(H)	C(NHN)(NH)(O)	H(NCN)	N(CNO)(NC)(H)	C(NHN)(NH)(O)	H(NCN)	115.2850	0.000	1	115.2850	0.000	1	116.3375	2.216	2	119.8760	3.329	141	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	N-3:N-2:O-1:	N-3:	N(CNO)(NC)(H)	C(NHN)(NN)(O)	H(NCN)	N(CNO)(NC)(H)	C(NHN)(NN)(O)	H(NCN)	117.3900	0.000	1	117.3900	0.000	1	116.3375	2.216	2	119.8760	3.329	141	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	N-3:N-2:S-1:	N-3:	N(CNS)(NC)(H)	C(NHN)(NC)(S)	H(NCN)	N(CNS)(NC)(H)	C(NHN)(NC)(S)	H(NCN)	121.4195	3.756	4	121.4195	14.111	4	120.4877	11.086	6	119.8760	3.329	141	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	N-3:N-2:S-1:	N-3:	N(CNS)(NC)(H)	C(NHN)(NH)(S)	H(NCN)	N(CNS)(NC)(H)	C(NHN)(NH)(S)	H(NCN)	118.6240	1.636	2	118.6240	2.677	2	120.4877	11.086	6	119.8760	3.329	141	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	N-3:N-2:Se-1:	N-3:	N(CSeN)(NC)(H)	C(NHN)(NH)(Se)	H(NCN)	N(CSeN)(NC)(H)	C(NHN)(NH)(Se)	H(NCN)	127.0620	0.000	1	127.0620	0.000	1	127.0620	0.000	1	119.8760	3.329	141	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	H(NCN)	N(COO)(NC)(H)	C(NHN)(OC)(O)	H(NCN)	120.1757	1.029	65	120.1757	1.059	65	120.1757	1.059	65	119.8760	3.329	141	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	N-3:S-2:S-1:	N-3:	N(CSS)(NC)(H)	C(NHN)(SC)(S)	H(NCN)	N(CSS)(NC)(H)	C(NHN)(SC)(S)	H(NCN)	119.5225	1.801	63	119.5225	3.243	63	119.5225	3.243	63	119.8760	3.329	141	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:O-2:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(OC)(H)	C(NHO)(OC)(O)	H(NCO)	N(COO)(OC)(H)	C(NHO)(OC)(O)	H(NCO)	121.0687	3.300	3	121.0687	10.891	3	119.6283	15.560	4	119.8760	3.329	141	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:O-2:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(OP)(H)	C(NHO)(OC)(O)	H(NCO)	N(COO)(OP)(H)	C(NHO)(OC)(O)	H(NCO)	115.3070	0.000	1	115.3070	0.000	1	119.6283	15.560	4	119.8760	3.329	141	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:2:	3:	C-3:N-2:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(NC)(H)	C(NHN)(NN)2	H(NCN)	N(CNN)(NC)(H)	C(NHN)(NN)2	H(NCN)	122.6470	0.000	1	122.6470	0.000	1	122.6470	0.000	1	119.2329	4.424	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:2:	3:	C-3:N-2:H-1:	N-3:O-2:N-2:	N-3:	N(CNO)(NC)(H)	C(NHN)(OMo)(NN)	H(NCN)	N(CNO)(NC)(H)	C(NHN)(OMo)(NN)	H(NCN)	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	119.2329	4.424	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:2:	3:	C-3:N-2:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(NC)(H)	C(NHN)(SNi)(NN)	H(NCN)	N(CNS)(NC)(H)	C(NHN)(SNi)(NN)	H(NCN)	119.9800	0.000	1	119.9800	0.000	1	118.9590	3.145	6	119.2329	4.424	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:2:	3:	C-3:N-2:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(NC)(H)	C(NHN)(SSn)(NN)	H(NCN)	N(CNS)(NC)(H)	C(NHN)(SSn)(NN)	H(NCN)	119.5770	0.564	4	119.5770	0.318	4	118.9590	3.145	6	119.2329	4.424	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:2:2:	3:	C-3:N-2:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(NC)(H)	C(NHN)(SZn)(NN)	H(NCN)	N(CNS)(NC)(H)	C(NHN)(SZn)(NN)	H(NCN)	115.4660	0.000	1	115.4660	0.000	1	118.9590	3.145	6	119.2329	4.424	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:C-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(CN)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CNO)(CN)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	122.5930	0.000	1	122.5930	0.000	1	122.5930	0.000	1	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(NH)(H)	C(CCH)(NHN)(H)	H(NCN)	N(CCH)(NH)(H)	C(CCH)(NHN)(H)	H(NCN)	124.0910	0.000	1	124.0910	0.000	1	124.0910	0.000	1	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CCH)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CCH)(NHN)(O)	H(NCN)	116.6740	0.000	1	116.6740	0.000	1	119.7103	6.771	14	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CCN)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CCN)(NHN)(O)	H(NCN)	120.1660	2.808	4	120.1660	7.883	4	119.7103	6.771	14	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	H(NCN)	120.8058	3.462	4	120.8058	11.984	4	119.7103	6.771	14	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CNO)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CNO)(NHN)(O)	H(NCN)	121.9680	0.000	1	121.9680	0.000	1	119.7103	6.771	14	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CN[5a]N)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CN[5a]N)(NHN)(O)	H(NCN)	118.3490	0.747	3	118.3490	0.558	3	119.7103	6.771	14	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NN)(H)	C(CC[6a]O)(NHN)(O)	H(NCN)	N(CCO)(NN)(H)	C(CC[6a]O)(NHN)(O)	H(NCN)	118.3680	0.000	1	118.3680	0.000	1	119.7103	6.771	14	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]2)(NHN)(O)	H(NCN)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]2)(NHN)(O)	H(NCN)	118.2062	1.758	6	118.2062	3.090	6	119.6293	4.880	91	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	120.0574	1.842	19	120.0574	3.393	19	119.6293	4.880	91	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	120.4250	1.137	29	120.4250	1.292	29	119.6293	4.880	91	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	H(NCN)	119.6170	1.936	25	119.6170	3.748	25	119.6293	4.880	91	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a,5a]C[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a,5a]C[5a])(NHN)(O)	H(NCN)	115.1140	0.000	1	115.1140	0.000	1	119.6293	4.880	91	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a]2)(NHN)(O)	H(NCN)	N(CC[5a]O)(NC)(H)	C(C[5a]N[5a]2)(NHN)(O)	H(NCN)	119.1176	2.713	5	119.1176	7.359	5	119.6293	4.880	91	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NC[5,6])(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NC[5,6])(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	119.5495	0.032	2	119.5495	0.001	2	119.6293	4.880	91	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NC[5])(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NC[5])(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	120.8650	0.000	1	120.8650	0.000	1	119.6293	4.880	91	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NC[6])(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NC[6])(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	114.1727	5.503	3	114.1727	30.285	3	119.6293	4.880	91	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	121.2403	2.154	20	121.2403	4.641	20	121.0147	5.478	21	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]N[6])(NHN)(O)	H(NCN)	N(CC[6]O)(NC)(H)	C(C[6]C[6]N[6])(NHN)(O)	H(NCN)	116.5030	0.000	1	116.5030	0.000	1	121.0147	5.478	21	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	H(NCN)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	H(NCN)	120.7845	0.418	2	120.7845	0.175	2	121.2057	5.677	984	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	121.3288	2.340	877	121.3288	5.475	877	121.2057	5.677	984	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	119.6574	2.209	60	119.6574	4.879	60	121.2057	5.677	984	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	121.7551	2.752	23	121.7551	7.576	23	121.2057	5.677	984	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	117.7150	0.813	4	117.7150	0.660	4	121.2057	5.677	984	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	122.2040	0.000	1	122.2040	0.000	1	121.2057	5.677	984	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[6,6])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[6,6])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	123.3010	0.000	1	123.3010	0.000	1	121.2057	5.677	984	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[6])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	120.2484	2.611	14	120.2484	6.817	14	121.2057	5.677	984	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	119.8780	1.973	2	119.8780	3.892	2	121.2057	5.677	984	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	H(NCN)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	H(NCN)	119.7038	2.016	27	119.7038	4.064	27	119.3951	6.309	141	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	H(NCN)	N(CNO)(NC)(H)	C(NHH)(NHN)(O)	H(NCN)	118.8987	2.802	63	118.8987	7.849	63	119.3951	6.309	141	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NC)(H)	C(NHN)2(O)	H(NCN)	N(CNO)(NC)(H)	C(NHN)2(O)	H(NCN)	119.8450	2.292	51	119.8450	5.252	51	119.3951	6.309	141	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NC)(H)	C(NCC)(NHN)(S)	H(NCN)	N(CNS)(NC)(H)	C(NCC)(NHN)(S)	H(NCN)	120.9289	1.078	8	120.9289	1.162	8	119.5077	3.558	345	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	H(NCN)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	H(NCN)	119.2976	1.696	90	119.2976	2.877	90	119.5077	3.558	345	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	H(NCN)	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	H(NCN)	119.6722	1.710	13	119.6722	2.924	13	119.5077	3.558	345	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NC)(H)	C(NC[6a]C)(NHN)(S)	H(NCN)	N(CNS)(NC)(H)	C(NC[6a]C)(NHN)(S)	H(NCN)	122.8355	0.811	2	122.8355	0.658	2	119.5077	3.558	345	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	118.8642	1.908	71	118.8642	3.642	71	119.5077	3.558	345	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	H(NCN)	N(CNS)(NC)(H)	C(NHH)(NHN)(S)	H(NCN)	119.7835	2.039	135	119.7835	4.157	135	119.5077	3.558	345	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NC)(H)	C(NHN)2(S)	H(NCN)	N(CNS)(NC)(H)	C(NHN)2(S)	H(NCN)	119.7495	1.060	25	119.7495	1.123	25	119.5077	3.558	345	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NH)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	N(CNS)(NH)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	120.6730	0.000	1	120.6730	0.000	1	119.5077	3.558	345	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:Se-1:	N-3:	N(CSeN)(NC)(H)	C(NHH)(NHN)(Se)	H(NCN)	N(CSeN)(NC)(H)	C(NHH)(NHN)(Se)	H(NCN)	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:P-3:O-1:	N-3:	N(COP)(NH)(H)	C(NHN)(PHH)(O)	H(NCN)	N(COP)(NH)(H)	C(NHN)(PHH)(O)	H(NCN)	119.8775	1.892	2	119.8775	3.578	2	119.8775	3.578	2	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N[5]-3:N-3:S-1:	N-3:	N(CN[5]S)(NC[5])(H)	C(N[5]C[5]2)(NHN)(S)	H(NCN)	N(CN[5]S)(NC[5])(H)	C(N[5]C[5]2)(NHN)(S)	H(NCN)	119.3680	0.270	5	119.3680	0.073	5	119.3680	0.073	5	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N[6]-3:N-3:S-1:	N-3:	N(CN[6]S)(NC)(H)	C(N[6]C[6]2)(NHN)(S)	H(NCN)	N(CN[6]S)(NC)(H)	C(N[6]C[6]2)(NHN)(S)	H(NCN)	119.4055	3.542	2	119.4055	12.545	2	119.4055	12.545	2	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	O[3x4]-3:N-3:O-1:	N-3:	N(CO[3x4]O)(NC)(H)	C(O[3x4]C[6x4]2)(NHN)(O)	H(NCN)	N(CO[3x4]O)(NC)(H)	C(O[3x4]C[6x4]2)(NHN)(O)	H(NCN)	119.6780	0.000	1	119.6780	0.000	1	119.6780	0.000	1	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(OH)(H)	C(CNO)(NHO)(O)	H(NCO)	N(CCO)(OH)(H)	C(CNO)(NHO)(O)	H(NCO)	120.0530	0.000	1	120.0530	0.000	1	120.0530	0.000	1	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[5a]-3:N-3:H-1:	N-3:	N(CC[5a]H)(OH)(H)	C(C[5a]C[5a,6a]C[5a])(NHO)(H)	H(NCO)	N(CC[5a]H)(OH)(H)	C(C[5a]C[5a,6a]C[5a])(NHO)(H)	H(NCO)	126.0080	0.000	1	126.0080	0.000	1	126.0080	0.000	1	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(OC)(H)	C(C[6]C[6]O[6])(NHO)(O)	H(NCO)	N(CC[6]O)(OC)(H)	C(C[6]C[6]O[6])(NHO)(O)	H(NCO)	121.0080	0.000	1	121.0080	0.000	1	122.6700	5.524	2	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(OH)(H)	C(C[6]C[6]2)(NHO)(O)	H(NCO)	N(CC[6]O)(OH)(H)	C(C[6]C[6]2)(NHO)(O)	H(NCO)	124.3320	0.000	1	124.3320	0.000	1	122.6700	5.524	2	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(CC[6a]H)(OH)(H)	C(C[6a]C[6a]2)(NHO)(H)	H(NCO)	N(CC[6a]H)(OH)(H)	C(C[6a]C[6a]2)(NHO)(H)	H(NCO)	125.3480	0.000	1	125.3480	0.000	1	125.3480	0.000	1	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(OC)(H)	C(C[6a]C[6,6a]C[6a])(NHO)(O)	H(NCO)	N(CC[6a]O)(OC)(H)	C(C[6a]C[6,6a]C[6a])(NHO)(O)	H(NCO)	121.1810	0.000	1	121.1810	0.000	1	123.4483	11.106	20	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(NHO)(O)	H(NCO)	N(CC[6a]O)(OC)(H)	C(C[6a]C[6a]2)(NHO)(O)	H(NCO)	121.1943	0.359	3	121.1943	0.129	3	123.4483	11.106	20	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	H(NCO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	H(NCO)	124.1178	3.562	11	124.1178	12.686	11	123.4483	11.106	20	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]N[6a])(NHO)(O)	H(NCO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]N[6a])(NHO)(O)	H(NCO)	123.7810	3.809	5	123.7810	14.509	5	123.4483	11.106	20	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(OC)(H)	C(NCH)(NHO)(O)	H(NCO)	N(CNO)(OC)(H)	C(NCH)(NHO)(O)	H(NCO)	120.8020	0.000	1	120.8020	0.000	1	116.8142	23.938	10	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(OC)(H)	C(NCO)(NHO)(O)	H(NCO)	N(CNO)(OC)(H)	C(NCO)(NHO)(O)	H(NCO)	117.0330	3.629	3	117.0330	13.172	3	116.8142	23.938	10	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(OC)(H)	C(NHH)(NHO)(O)	H(NCO)	N(CNO)(OC)(H)	C(NHH)(NHO)(O)	H(NCO)	118.0227	8.491	3	118.0227	72.095	3	116.8142	23.938	10	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(OH)(H)	C(NCH)(NHO)(O)	H(NCO)	N(CNO)(OH)(H)	C(NCH)(NHO)(O)	H(NCO)	114.0050	1.291	2	114.0050	1.667	2	116.8142	23.938	10	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(OH)(H)	C(NC[6a]H)(NHO)(O)	H(NCO)	N(CNO)(OH)(H)	C(NC[6a]H)(NHO)(O)	H(NCO)	114.1630	0.000	1	114.1630	0.000	1	116.8142	23.938	10	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(CN[5a]O)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(NHO)(O)	H(NCO)	N(CN[5a]O)(OC)(H)	C(N[5a]C[5a,6a]C[5a])(NHO)(O)	H(NCO)	122.4340	0.000	1	122.4340	0.000	1	121.6747	0.463	3	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(CN[5a]O)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(NHO)(O)	H(NCO)	N(CN[5a]O)(OC)(H)	C(N[5a]C[5a,6a]N[5a])(NHO)(O)	H(NCO)	121.2950	0.249	2	121.2950	0.062	2	121.6747	0.463	3	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N[6]-3:N-3:O-1:	N-3:	N(CN[6]O)(OC)(H)	C(N[6]C[6]2)(NHO)(O)	H(NCO)	N(CN[6]O)(OC)(H)	C(N[6]C[6]2)(NHO)(O)	H(NCO)	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:S-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(SC[6a])(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	N(CC[6a]O)(SC[6a])(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	116.9260	0.000	1	116.9260	0.000	1	116.9260	0.000	1	120.5902	6.228	1649	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	C[6]-3:N-3:N-2:	N-3:	N(CC[6]N)(NH)(H)	C(C[6]C[6]N[6])(NHN)(NCu)	H(NCN)	N(CC[6]N)(NH)(H)	C(C[6]C[6]N[6])(NHN)(NCu)	H(NCN)	120.5780	0.000	1	120.5780	0.000	1	120.5780	0.000	1	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(NC)(H)	C(NPdN)(NHN)(NN)	H(NCN)	N(CNN)(NC)(H)	C(NPdN)(NHN)(NN)	H(NCN)	120.5840	0.000	1	120.5840	0.000	1	118.5985	7.884	2	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(NH)(H)	C(NHH)(NHN)(NH)	H(NCN)	N(CNN)(NH)(H)	C(NHH)(NHN)(NH)	H(NCN)	116.6130	0.000	1	116.6130	0.000	1	118.5985	7.884	2	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NCC)(NHN)(SPt)	H(NCN)	N(CNS)(NC)(H)	C(NCC)(NHN)(SPt)	H(NCN)	120.2230	0.000	1	120.2230	0.000	1	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(SAg)	H(NCN)	N(CNS)(NC)(H)	C(NCH)(NHN)(SAg)	H(NCN)	117.7775	0.146	2	117.7775	0.021	2	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(SCu)	H(NCN)	N(CNS)(NC)(H)	C(NCH)(NHN)(SCu)	H(NCN)	120.7770	0.577	2	120.7770	0.333	2	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(SCd)	H(NCN)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(SCd)	H(NCN)	126.0720	0.000	1	126.0720	0.000	1	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(SCu)	H(NCN)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(SCu)	H(NCN)	116.4735	0.651	2	116.4735	0.424	2	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SAg)	H(NCN)	N(CNS)(NC)(H)	C(NHH)(NHN)(SAg)	H(NCN)	119.7380	0.275	3	119.7380	0.076	3	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SC)	H(NCN)	N(CNS)(NC)(H)	C(NHH)(NHN)(SC)	H(NCN)	121.5420	0.798	2	121.5420	0.636	2	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SCd)	H(NCN)	N(CNS)(NC)(H)	C(NHH)(NHN)(SCd)	H(NCN)	120.2400	0.339	2	120.2400	0.115	2	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SCu)	H(NCN)	N(CNS)(NC)(H)	C(NHH)(NHN)(SCu)	H(NCN)	118.4390	1.435	2	118.4390	2.060	2	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SHg)	H(NCN)	N(CNS)(NC)(H)	C(NHH)(NHN)(SHg)	H(NCN)	120.6660	0.000	1	120.6660	0.000	1	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SPb)	H(NCN)	N(CNS)(NC)(H)	C(NHH)(NHN)(SPb)	H(NCN)	121.2060	0.000	1	121.2060	0.000	1	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SPd)	H(NCN)	N(CNS)(NC)(H)	C(NHH)(NHN)(SPd)	H(NCN)	119.3780	0.000	1	119.3780	0.000	1	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SPt)	H(NCN)	N(CNS)(NC)(H)	C(NHH)(NHN)(SPt)	H(NCN)	121.1300	0.001	2	121.1300	0.000	2	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NHH)(NHN)(SZn)	H(NCN)	N(CNS)(NC)(H)	C(NHH)(NHN)(SZn)	H(NCN)	119.6347	1.730	3	119.6347	2.993	3	119.9368	4.071	25	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:O-2:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(OFe)(H)	C(C[6a]C[6a]2)(NHO)(OFe)	H(NCO)	N(CC[6a]O)(OFe)(H)	C(C[6a]C[6a]2)(NHO)(OFe)	H(NCO)	124.0408	3.052	19	124.0408	9.316	19	123.8334	9.686	20	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:O-2:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(OMn)(H)	C(C[6a]C[6a]2)(NHO)(OMn)	H(NCO)	N(CC[6a]O)(OMn)(H)	C(C[6a]C[6a]2)(NHO)(OMn)	H(NCO)	119.8930	0.000	1	119.8930	0.000	1	123.8334	9.686	20	121.5180	10.155	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(NC)(H)	C(CNN)(NHH)(NHN)	H(NCN)	N(CCN)(NC)(H)	C(CNN)(NHH)(NHN)	H(NCN)	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(NC)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	H(NCN)	N(CC[6a]N)(NC)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	H(NCN)	120.2897	0.562	3	120.2897	0.315	3	120.2897	0.315	3	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NC)(H)	C(NCH)(NHH)(NHN)	H(NCN)	N(CNN)(NC)(H)	C(NCH)(NHH)(NHN)	H(NCN)	121.0575	0.805	2	121.0575	0.649	2	121.2704	2.320	55	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NC)(H)	C(NHH)(NHN)2	H(NCN)	N(CNN)(NC)(H)	C(NHH)(NHN)2	H(NCN)	121.1052	0.369	6	121.1052	0.136	6	121.2704	2.320	55	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NC)(H)	C(NHH)2(NHN)	H(NCN)	N(CNN)(NC)(H)	C(NHH)2(NHN)	H(NCN)	121.2460	1.693	29	121.2460	2.867	29	121.2704	2.320	55	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NC)(H)	C(NHN)3	H(NCN)	N(CNN)(NC)(H)	C(NHN)3	H(NCN)	121.1250	1.400	15	121.1250	1.959	15	121.2704	2.320	55	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NH)(H)	C(NHH)2(NHN)	H(NCN)	N(CNN)(NH)(H)	C(NHH)2(NHN)	H(NCN)	121.4510	0.120	2	121.4510	0.014	2	121.2704	2.320	55	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NH)(H)	C(NHN)3	H(NCN)	N(CNN)(NH)(H)	C(NHN)3	H(NCN)	125.2150	0.000	1	125.2150	0.000	1	121.2704	2.320	55	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	S-3:N-3:N-3:	N-3:	N(CNS)(NC)(H)	C(SAg2)(NCH)(NHN)	H(NCN)	N(CNS)(NC)(H)	C(SAg2)(NCH)(NHN)	H(NCN)	120.7900	0.000	1	120.7900	0.000	1	120.0760	0.282	4	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:N-2:H-1:	S-3:N-3:N-3:	N-3:	N(CNS)(NC)(H)	C(SCu2)(NHH)(NHN)	H(NCN)	N(CNS)(NC)(H)	C(SCu2)(NHH)(NHN)	H(NCN)	119.8380	0.288	3	119.8380	0.083	3	120.0760	0.282	4	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:O-2:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(OH)(H)	C(CNN)(NHH)(NHO)	H(NCO)	N(CCN)(OH)(H)	C(CNN)(NHH)(NHO)	H(NCO)	123.0660	0.000	1	123.0660	0.000	1	123.0660	0.000	1	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:O-2:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(OH)(H)	C(C[6a]C[6a]2)(NHH)(NHO)	H(NCO)	N(CC[6a]N)(OH)(H)	C(C[6a]C[6a]2)(NHH)(NHO)	H(NCO)	122.7340	0.000	1	122.7340	0.000	1	122.7340	0.000	1	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:3:3:	3:	C-3:O-2:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(OH)(H)	C(NOsH)(NHH)(NHO)	H(NCO)	N(CNN)(OH)(H)	C(NOsH)(NHH)(NHO)	H(NCO)	122.3210	0.000	1	122.3210	0.000	1	122.3210	0.000	1	121.1429	2.550	66	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:4:3:	3:	C-3:N-2:H-1:	C[6]-3:C-4:N-3:	N-3:	N(CC[6]C)(NC)(H)	C(C[6]C[6]2)(CH3)(NHN)	H(NCN)	N(CC[6]C)(NC)(H)	C(C[6]C[6]2)(CH3)(NHN)	H(NCN)	112.2040	0.000	1	112.2040	0.000	1	112.2040	0.000	1	118.6016	8.566	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:4:3:	3:	C-3:N-2:H-1:	C[6a]-3:C-4:N-3:	N-3:	N(CC[6a]C)(NC)(H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)	H(NCN)	N(CC[6a]C)(NC)(H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)	H(NCN)	118.9445	1.768	4	118.9445	3.127	4	118.9445	3.127	4	118.6016	8.566	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	3:4:3:	3:	C-3:N-2:H-1:	N-3:C-4:N-3:	N-3:	N(CCN)(NC)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	H(NCN)	N(CCN)(NC)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	H(NCN)	120.2770	0.617	3	120.2770	0.381	3	120.2770	0.381	3	118.6016	8.566	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:C-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CC)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CCO)(CC)(H)	C(CCHN)(NCH)(O)	H(NCC)	118.4480	0.000	1	118.4480	0.000	1	118.4480	0.000	1	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CCCH)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CCCH)(NHN)(O)	H(NCN)	119.8720	0.000	1	119.8720	0.000	1	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CCCN)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CCCN)(NHN)(O)	H(NCN)	120.7800	0.561	2	120.7800	0.315	2	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	H(NCN)	119.5594	1.606	39	119.5594	2.579	39	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CCHN)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CCHN)(NHN)(O)	H(NCN)	119.9940	2.424	7	119.9940	5.877	7	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CCHO)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CCHO)(NHN)(O)	H(NCN)	124.0180	0.000	1	124.0180	0.000	1	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	H(NCN)	119.1134	1.910	12	119.1134	3.649	12	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CC[6a]2O)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CC[6a]2O)(NHN)(O)	H(NCN)	120.5470	0.000	1	120.5470	0.000	1	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CC[6a]CH)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CC[6a]CH)(NHN)(O)	H(NCN)	119.1254	2.636	12	119.1254	6.948	12	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CC[6a]HH)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CC[6a]HH)(NHN)(O)	H(NCN)	118.8396	2.144	16	118.8396	4.599	16	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CC[6a]HN)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CC[6a]HN)(NHN)(O)	H(NCN)	120.3929	0.297	7	120.3929	0.088	7	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	H(NCN)	118.3247	1.849	34	118.3247	3.420	34	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CHHN)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CHHN)(NHN)(O)	H(NCN)	119.3239	2.075	13	119.3239	4.306	13	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	H(NCN)	120.8628	1.503	17	120.8628	2.258	17	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CHHS)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CHHS)(NHN)(O)	H(NCN)	118.7982	1.518	4	118.7982	2.304	4	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	H(NCN)	120.0418	1.026	12	120.0418	1.052	12	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NH)(H)	C(CCHN)(NHN)(O)	H(NCN)	N(CCO)(NH)(H)	C(CCHN)(NHN)(O)	H(NCN)	123.1960	0.000	1	123.1960	0.000	1	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NH)(H)	C(CC[6a]HH)(NHN)(O)	H(NCN)	N(CCO)(NH)(H)	C(CC[6a]HH)(NHN)(O)	H(NCN)	118.1090	0.000	1	118.1090	0.000	1	119.4319	3.803	180	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(NC)(H)	C(C[3]C[3,5]C[3]H)(NHN)(O)	H(NCN)	N(CC[3]O)(NC)(H)	C(C[3]C[3,5]C[3]H)(NHN)(O)	H(NCN)	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[3x6]-4:N-3:O-1:	N-3:	N(CC[3x6]O)(NC)(H)	C(C[3x6]C[6,6]3)(NHN)(O)	H(NCN)	N(CC[3x6]O)(NC)(H)	C(C[3x6]C[6,6]3)(NHN)(O)	H(NCN)	124.2510	0.396	2	124.2510	0.157	2	124.2510	0.157	2	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[5,6]O)(NC[5,6])(H)	C(C[5,6]C[5,5,6]2H)(NHN)(O)	H(NCN)	N(CC[5,6]O)(NC[5,6])(H)	C(C[5,6]C[5,5,6]2H)(NHN)(O)	H(NCN)	120.5086	0.878	8	120.5086	0.771	8	120.5086	0.771	8	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(NC)(H)	C(C[5]C[5]2Fe)(NHN)(O)	H(NCN)	N(CC[5]O)(NC)(H)	C(C[5]C[5]2Fe)(NHN)(O)	H(NCN)	120.2920	0.000	1	120.2920	0.000	1	120.0250	0.143	2	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(NC)(H)	C(C[5]C[5]2H)(NHN)(O)	H(NCN)	N(CC[5]O)(NC)(H)	C(C[5]C[5]2H)(NHN)(O)	H(NCN)	119.7580	0.000	1	119.7580	0.000	1	120.0250	0.143	2	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6,6a]2H)(NHN)(O)	H(NCN)	N(CC[6]O)(NC)(H)	C(C[6]C[6,6a]2H)(NHN)(O)	H(NCN)	120.9560	0.000	1	120.9560	0.000	1	120.2174	1.334	25	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	H(NCN)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	H(NCN)	120.1866	1.169	24	120.1866	1.367	24	120.2174	1.334	25	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(OC)(H)	C(CC3)(NHO)(O)	H(NCO)	N(CCO)(OC)(H)	C(CC3)(NHO)(O)	H(NCO)	128.7300	1.295	2	128.7300	1.678	2	123.1393	7.867	22	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(OC)(H)	C(CCCH)(NHO)(O)	H(NCO)	N(CCO)(OC)(H)	C(CCCH)(NHO)(O)	H(NCO)	122.5917	1.432	3	122.5917	2.051	3	123.1393	7.867	22	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(OC)(H)	C(CCCN)(NHO)(O)	H(NCO)	N(CCO)(OC)(H)	C(CCCN)(NHO)(O)	H(NCO)	121.6400	0.000	1	121.6400	0.000	1	123.1393	7.867	22	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(OC)(H)	C(CCCO)(NHO)(O)	H(NCO)	N(CCO)(OC)(H)	C(CCCO)(NHO)(O)	H(NCO)	124.1380	0.000	1	124.1380	0.000	1	123.1393	7.867	22	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(OC)(H)	C(CCHH)(NHO)(O)	H(NCO)	N(CCO)(OC)(H)	C(CCHH)(NHO)(O)	H(NCO)	122.1595	1.449	2	122.1595	2.099	2	123.1393	7.867	22	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(OC)(H)	C(CCHN)(NHO)(O)	H(NCO)	N(CCO)(OC)(H)	C(CCHN)(NHO)(O)	H(NCO)	124.4670	0.000	1	124.4670	0.000	1	123.1393	7.867	22	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(OC)(H)	C(CC[5a]CC)(NHO)(O)	H(NCO)	N(CCO)(OC)(H)	C(CC[5a]CC)(NHO)(O)	H(NCO)	123.5385	1.208	2	123.5385	1.460	2	123.1393	7.867	22	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(OC)(H)	C(CHHN)(NHO)(O)	H(NCO)	N(CCO)(OC)(H)	C(CHHN)(NHO)(O)	H(NCO)	124.5077	2.935	3	124.5077	8.614	3	123.1393	7.867	22	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(OH)(H)	C(CCHH)(NHO)(O)	H(NCO)	N(CCO)(OH)(H)	C(CCHH)(NHO)(O)	H(NCO)	119.9030	0.458	5	119.9030	0.210	5	123.1393	7.867	22	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(OH)(H)	C(CH3)(NHO)(O)	H(NCO)	N(CCO)(OH)(H)	C(CH3)(NHO)(O)	H(NCO)	122.9880	0.000	1	122.9880	0.000	1	123.1393	7.867	22	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(OH)(H)	C(CHHN)(NHO)(O)	H(NCO)	N(CCO)(OH)(H)	C(CHHN)(NHO)(O)	H(NCO)	126.1630	0.000	1	126.1630	0.000	1	123.1393	7.867	22	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:O-2:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(OH)(H)	C(C[6]C[6]2H)(NHO)(O)	H(NCO)	N(CC[6]O)(OH)(H)	C(C[6]C[6]2H)(NHO)(O)	H(NCO)	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	119.9246	4.980	242	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:2:	3:	C-3:N-2:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(NC)(H)	C(CF3)(NHN)(NO)	H(NCN)	N(CCN)(NC)(H)	C(CF3)(NHN)(NO)	H(NCN)	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	117.3867	20.388	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:2:	3:	C-3:O-2:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(OMo)(H)	C(CC[6a]HH)(NHO)(OMo)	H(NCO)	N(CCO)(OMo)(H)	C(CC[6a]HH)(NHO)(OMo)	H(NCO)	120.5990	0.000	1	120.5990	0.000	1	119.9680	0.796	2	117.3867	20.388	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:2:	3:	C-3:O-2:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(OSn)(H)	C(CH3)(NHO)(OSn)	H(NCO)	N(CCO)(OSn)(H)	C(CH3)(NHO)(OSn)	H(NCO)	119.3370	0.000	1	119.3370	0.000	1	119.9680	0.796	2	117.3867	20.388	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:3:	3:	C-3:N-2:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(NC)(H)	C(CH3)(CCH)(NHN)	H(NCN)	N(CCC)(NC)(H)	C(CH3)(CCH)(NHN)	H(NCN)	119.2600	0.000	1	119.2600	0.000	1	119.2600	0.000	1	119.8177	0.514	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:3:	3:	C-3:N-2:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(NC)(H)	C(CC[5a]HH)(NC[6a]H)(NHN)	H(NCN)	N(CCN)(NC)(H)	C(CC[5a]HH)(NC[6a]H)(NHN)	H(NCN)	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	119.8177	0.514	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:3:3:	3:	C-3:O-2:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(OH)(H)	C(CC3)(NHH)(NHO)	H(NCO)	N(CCN)(OH)(H)	C(CC3)(NHH)(NHO)	H(NCO)	120.6260	0.000	1	120.6260	0.000	1	120.6260	0.000	1	119.8177	0.514	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:2:1:	4:4:3:	3:	C-3:O-2:H-1:	C-4:C-4:N-3:	N-3:	N(CCC)(OH)(H)	C(CH3)2(NHO)	H(NCO)	N(CCC)(OH)(H)	C(CH3)2(NHO)	H(NCO)	120.1150	0.000	1	120.1150	0.000	1	120.1150	0.000	1	120.1150	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:2:3:	3:	C-3:C-3:H-1:	N-2:N-2:N-3:	N-3:	N(CC[5]O)(CNN)(H)	C(NC[6a])2(NCH)	H(NCC)	N(CC[5]O)(CNN)(H)	C(NC[6a])2(NCH)	H(NCC)	114.2500	0.000	1	114.2500	0.000	1	114.2500	0.000	1	114.2500	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(NC[5])(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(NC[5])(NCH)(O)	H(NCC)	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	116.3281	7.838	13	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[5])(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[5])(NCH)(S)	H(NCC)	115.8890	0.000	1	115.8890	0.000	1	115.2420	7.140	6	116.3281	7.838	13	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6a])(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6a])(NCH)(S)	H(NCC)	114.9630	3.404	4	114.9630	11.584	4	115.2420	7.140	6	116.3281	7.838	13	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:N-3:S-1:	N-3:	N(CNS)(COO)(H)	C(NC[6a])(NCH)(S)	H(NCC)	N(CNS)(COO)(H)	C(NC[6a])(NCH)(S)	H(NCC)	115.7110	0.000	1	115.7110	0.000	1	115.2420	7.140	6	116.3281	7.838	13	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	N-2:N-3:Se-1:	N-3:	N(CC[6a]O)(CSeN)(H)	C(NC[6a])(NCH)(Se)	H(NCC)	N(CC[6a]O)(CSeN)(H)	C(NC[6a])(NCH)(Se)	H(NCC)	115.0040	0.000	1	115.0040	0.000	1	115.0040	0.000	1	116.3281	7.838	13	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CCC)(COO)(H)	C(OC[6])(NCH)(O)	H(NCC)	N(CCC)(COO)(H)	C(OC[6])(NCH)(O)	H(NCC)	116.0050	0.000	1	116.0050	0.000	1	117.9783	2.023	4	116.3281	7.838	13	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CCO)(COO)(H)	C(OC[6])(NCH)(O)	H(NCC)	N(CCO)(COO)(H)	C(OC[6])(NCH)(O)	H(NCC)	119.3900	0.000	1	119.3900	0.000	1	117.9783	2.023	4	116.3281	7.838	13	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(COO)2(H)	C(OC[6])(NCH)(O)	H(NCC)	N(COO)2(H)	C(OC[6])(NCH)(O)	H(NCC)	118.2590	0.158	2	118.2590	0.025	2	117.9783	2.023	4	116.3281	7.838	13	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:3:1:	3:	N-3:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(NC[5]C)(COO)(H)	C(OC[3x6])(NHN)(O)	H(NCN)	N(NC[5]C)(COO)(H)	C(OC[3x6])(NHN)(O)	H(NCN)	120.9350	0.000	1	120.9350	0.000	1	120.9350	0.000	1	116.3281	7.838	13	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:3:3:	3:	C-3:C-3:H-1:	N-2:N-3:N-3:	N-3:	N(CCO)(CNN)(H)	C(NC[6a])(NCC)(NCH)	H(NCC)	N(CCO)(CNN)(H)	C(NC[6a])(NCC)(NCH)	H(NCC)	118.2370	0.000	1	118.2370	0.000	1	116.3735	5.529	4	116.3735	5.529	4	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	2:3:3:	3:	C-3:C-3:H-1:	N-2:N-3:N-3:	N-3:	N(CNN)2(H)	C(NC[6a])(NCH)(NHH)	H(NCC)	N(CNN)2(H)	C(NC[6a])(NCH)(NHH)	H(NCC)	115.7523	2.445	3	115.7523	5.978	3	116.3735	5.529	4	116.3735	5.529	4	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CCC)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CCC)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	112.6400	0.000	1	112.6400	0.000	1	117.1867	8.548	7	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CCH)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CCH)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	117.9630	0.000	1	117.9630	0.000	1	117.1867	8.548	7	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CCO)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CCO)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	119.4120	0.000	1	119.4120	0.000	1	117.1867	8.548	7	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CC[6a]C)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CC[6a]C)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	116.9040	0.000	1	116.9040	0.000	1	117.1867	8.548	7	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CC[6a]O)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CC[6a]O)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	117.0490	0.000	1	117.0490	0.000	1	117.1867	8.548	7	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CHO)2(H)	C(NCH)(H)(O)	H(NCC)	N(CHO)2(H)	C(NCH)(H)(O)	H(NCC)	118.1695	4.799	2	118.1695	23.032	2	117.1867	8.548	7	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C-3:N-3:H-1:	N-3:H-1:O-1:	N-3:	N(CHO)(NCH)(H)	C(NHN)(H)(O)	H(NCN)	N(CHO)(NCH)(H)	C(NHN)(H)(O)	H(NCN)	120.2182	1.822	4	120.2182	3.319	4	119.4920	5.127	5	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C-3:N-3:H-1:	N-3:H-1:O-1:	N-3:	N(CHO)(NHH)(H)	C(NHN)(H)(O)	H(NCN)	N(CHO)(NHH)(H)	C(NHN)(H)(O)	H(NCN)	116.5870	0.000	1	116.5870	0.000	1	119.4920	5.127	5	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C-3:N-3:H-1:	N-3:O-1:O-1:	N-3:	N(COO)(NCH)(H)	C(NHN)(O)2	H(NCN)	N(COO)(NCH)(H)	C(NHN)(O)2	H(NCN)	117.1800	0.000	1	117.1800	0.000	1	117.1800	0.000	1	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C[5]-3:C-3:H-1:	N-3:O-1:O-1:	N-3:	N(C[5]N[5]2)(COO)(H)	C(NC[5]H)(O)2	H(NC[5]C)	N(C[5]N[5]2)(COO)(H)	C(NC[5]H)(O)2	H(NC[5]C)	121.2540	0.000	1	121.2540	0.000	1	121.2540	0.000	1	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C[5a]-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[5a]C[5a]2)(CHO)(H)	C(NC[5a]H)(H)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CHO)(H)	C(NC[5a]H)(H)(O)	H(NC[5a]C)	118.8060	0.000	1	118.8060	0.000	1	118.8060	0.000	1	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-1:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(C)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(C)(O)	H(NC[6a]C)	116.5390	0.000	1	116.5390	0.000	1	116.5390	0.000	1	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	H(NC[6a]C)	114.3400	0.000	1	114.3400	0.000	1	116.8089	3.182	44	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	H(NC[6a]C)	117.5020	0.000	1	117.5020	0.000	1	116.8089	3.182	44	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C(NC[6a]H)(H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C(NC[6a]H)(H)(O)	H(NC[6a]C)	116.8278	1.798	41	116.8278	3.231	41	116.8089	3.182	44	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CHO)(H)	C(NC[6a]H)(H)(O)	H(NC[6a]C)	117.8110	0.000	1	117.8110	0.000	1	116.8089	3.182	44	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	N-3:H-1:S-1:	N-3:	N(C[6a]C[6a]2)(CHS)(H)	C(NC[6a]H)(H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHS)(H)	C(NC[6a]H)(H)(S)	H(NC[6a]C)	119.2114	0.641	5	119.2114	0.411	5	119.2114	0.411	5	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-1:O-1:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(O)2	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(O)2	H(NC[6a]C)	117.5140	0.000	1	117.5140	0.000	1	117.5140	0.000	1	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	N[5]-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(N[5]C[5]2)(CHO)(H)	C(NN[5]H)(H)(O)	H(NN[5]C)	N(N[5]C[5]2)(CHO)(H)	C(NN[5]H)(H)(O)	H(NN[5]C)	118.4790	0.000	1	118.4790	0.000	1	118.4790	0.000	1	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:1:1:	3:	N[5a]-3:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(N[5a]C[5a]N[5a])(CHO)(H)	C(NN[5a]H)(H)(O)	H(NN[5a]C)	N(N[5a]C[5a]N[5a])(CHO)(H)	C(NN[5a]H)(H)(O)	H(NN[5a]C)	125.7130	0.000	1	125.7130	0.000	1	125.7130	0.000	1	117.4838	5.249	68	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:N-2:H-1:	N-3:	N(CCO)(CHN)(H)	C(NCH)(NO)(H)	H(NCC)	N(CCO)(CHN)(H)	C(NCH)(NO)(H)	H(NCC)	118.2070	0.000	1	118.2070	0.000	1	118.7119	0.446	13	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:N-2:H-1:	N-3:	N(CC[6a]O)(CHN)(H)	C(NCH)(NO)(H)	H(NCC)	N(CC[6a]O)(CHN)(H)	C(NCH)(NO)(H)	H(NCC)	118.7540	0.679	12	118.7540	0.461	12	118.7119	0.446	13	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:N-2:N-1:	N-3:	N(CNN)(CNS)(H)	C(NCH)(NNi)(N)	H(NCC)	N(CNN)(CNS)(H)	C(NCH)(NNi)(N)	H(NCC)	114.4430	0.000	1	114.4430	0.000	1	114.4430	0.000	1	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(CCH)(CNO)(H)	C(NCH)(NC)(O)	H(NCC)	N(CCH)(CNO)(H)	C(NCH)(NC)(O)	H(NCC)	115.2970	0.000	1	115.2970	0.000	1	116.5678	16.451	4	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(CCN)(CNO)(H)	C(NCH)(NS)(O)	H(NCC)	N(CCN)(CNO)(H)	C(NCH)(NS)(O)	H(NCC)	117.3140	0.000	1	117.3140	0.000	1	116.5678	16.451	4	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(CNN)(CNO)(H)	C(NCH)(NH)(O)	H(NCC)	N(CNN)(CNO)(H)	C(NCH)(NH)(O)	H(NCC)	121.6800	0.000	1	121.6800	0.000	1	116.5678	16.451	4	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(CNO)(COS)(H)	C(NCH)(NH)(O)	H(NCC)	N(CNO)(COS)(H)	C(NCH)(NH)(O)	H(NCC)	111.9800	0.000	1	111.9800	0.000	1	116.5678	16.451	4	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NCH)(NH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NCH)(NH)(S)	H(NCC)	115.9280	0.000	1	115.9280	0.000	1	115.5013	1.591	3	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(CNN)(CNS)(H)	C(NCH)(NH)(S)	H(NCC)	N(CNN)(CNS)(H)	C(NCH)(NH)(S)	H(NCC)	115.2880	1.706	2	115.2880	2.909	2	115.5013	1.591	3	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCC)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCC)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.8308	2.222	5	117.8308	4.938	5	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.6963	0.144	3	118.6963	0.021	3	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCN)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCN)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	115.6840	0.000	1	115.6840	0.000	1	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCO)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCO)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	116.8964	3.069	7	116.8964	9.420	7	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCP)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCP)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.8920	0.000	1	117.8920	0.000	1	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[5]C)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[5]C)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.2800	0.000	1	117.2800	0.000	1	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6]O)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6]O)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.6450	0.000	1	117.6450	0.000	1	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]C)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]C)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.1045	0.759	2	117.1045	0.576	2	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]S)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]S)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	116.7210	1.575	3	116.7210	2.480	3	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CNN)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CNN)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.2779	2.787	14	117.2779	7.768	14	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CNS)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CNS)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	116.3968	2.612	50	116.3968	6.824	50	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CN[5a]N)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CN[5a]N)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.9590	0.000	1	118.9590	0.000	1	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(COS)(H)	C(NCH)(OC)(O)	H(NCC)	N(COO)(COS)(H)	C(NCH)(OC)(O)	H(NCC)	115.5830	3.845	4	115.5830	14.780	4	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(COO)2(H)	C(NCH)(OC)(O)	H(NCC)	N(COO)2(H)	C(NCH)(OC)(O)	H(NCC)	118.3060	0.294	2	118.3060	0.087	2	116.8003	6.466	95	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:S-1:	N-3:	N(CC[6a]O)(COS)(H)	C(NCH)(OC)(S)	H(NCC)	N(CC[6a]O)(COS)(H)	C(NCH)(OC)(S)	H(NCC)	116.0042	0.594	8	116.0042	0.353	8	116.4400	2.176	10	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:S-1:	N-3:	N(COO)(COS)(H)	C(NCH)(OC)(S)	H(NCC)	N(COO)(COS)(H)	C(NCH)(OC)(S)	H(NCC)	118.1830	3.086	2	118.1830	9.522	2	116.4400	2.176	10	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:S-2:O-1:	N-3:	N(CCO)(COS)(H)	C(NCH)(SC)(O)	H(NCC)	N(CCO)(COS)(H)	C(NCH)(SC)(O)	H(NCC)	116.4790	0.000	1	116.4790	0.000	1	116.6230	3.082	5	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:S-2:O-1:	N-3:	N(CC[6a]O)(COS)(H)	C(NCH)(SC)(O)	H(NCC)	N(CC[6a]O)(COS)(H)	C(NCH)(SC)(O)	H(NCC)	115.6650	0.000	1	115.6650	0.000	1	116.6230	3.082	5	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:S-2:O-1:	N-3:	N(CNO)(COS)(H)	C(NCH)(SC)(O)	H(NCC)	N(CNO)(COS)(H)	C(NCH)(SC)(O)	H(NCC)	119.3330	0.000	1	119.3330	0.000	1	116.6230	3.082	5	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:S-2:O-1:	N-3:	N(COO)(COS)(H)	C(NCH)(SS)(O)	H(NCC)	N(COO)(COS)(H)	C(NCH)(SS)(O)	H(NCC)	115.8190	1.659	2	115.8190	2.752	2	116.6230	3.082	5	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:S-2:S-1:	N-3:	N(CC[6a]O)(CSS)(H)	C(NCH)(SC)(S)	H(NCC)	N(CC[6a]O)(CSS)(H)	C(NCH)(SC)(S)	H(NCC)	114.9010	0.457	2	114.9010	0.209	2	114.9010	0.209	2	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:N-2:O-1:	N-3:	N(CNO)(NCC)(H)	C(NHN)(NS)(O)	H(NCN)	N(CNO)(NCC)(H)	C(NHN)(NS)(O)	H(NCN)	117.1960	0.000	1	117.1960	0.000	1	118.2203	4.252	3	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:N-2:O-1:	N-3:	N(CNO)(NOO)(H)	C(NHN)(NN)(O)	H(NCN)	N(CNO)(NOO)(H)	C(NHN)(NN)(O)	H(NCN)	118.7325	2.633	2	118.7325	6.930	2	118.2203	4.252	3	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	H(NCN)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	H(NCN)	120.3244	2.569	19	120.3244	6.602	19	120.4711	7.230	49	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	H(NCN)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	H(NCN)	120.6459	3.869	10	120.6459	14.968	10	120.4711	7.230	49	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(NCS)(H)	C(NHN)(OC)(O)	H(NCN)	N(COO)(NCS)(H)	C(NHN)(OC)(O)	H(NCN)	121.7910	2.048	2	121.7910	4.193	2	120.4711	7.230	49	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(NHP)(H)	C(NHN)(OC)(O)	H(NCN)	N(COO)(NHP)(H)	C(NHN)(OC)(O)	H(NCN)	120.5190	1.187	4	120.5190	1.410	4	120.4711	7.230	49	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(NOO)(H)	C(NHN)(OC)(O)	H(NCN)	N(COO)(NOO)(H)	C(NHN)(OC)(O)	H(NCN)	120.3431	2.490	14	120.3431	6.201	14	120.4711	7.230	49	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:S-2:S-1:	N-3:	N(CSS)(NCH)(H)	C(NHN)(SC)(S)	H(NCN)	N(CSS)(NCH)(H)	C(NHN)(SC)(S)	H(NCN)	120.2428	0.122	4	120.2428	0.015	4	120.1520	0.108	6	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:S-2:S-1:	N-3:	N(CSS)(NHH)(H)	C(NHN)(SC)(S)	H(NCN)	N(CSS)(NHH)(H)	C(NHN)(SC)(S)	H(NCN)	119.9705	0.631	2	119.9705	0.399	2	120.1520	0.108	6	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	119.1350	0.000	1	119.1350	0.000	1	119.9584	4.068	7	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]N[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]N[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	120.0957	2.173	6	120.0957	4.723	6	119.9584	4.068	7	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-2:O-1:	N-3:	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CC[6a])(O)	H(NC[5a]C)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CC[6a])(O)	H(NC[5a]C)	118.5765	0.682	2	118.5765	0.466	2	118.5765	0.466	2	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-2:H-1:	N-3:	N(C[5a]C[5a]N[5a])(CHN)(H)	C(NC[5a]H)(NN)(H)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CHN)(H)	C(NC[5a]H)(NN)(H)	H(NC[5a]C)	116.9570	0.000	1	116.9570	0.000	1	116.9570	0.000	1	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5a]C[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	118.4870	1.119	2	118.4870	1.251	2	118.4141	0.545	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5a]C[5a]N[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	117.0220	0.393	2	117.0220	0.155	2	118.4141	0.545	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5a]C[5a]O[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	N(C[5a]C[5a]O[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	119.5030	0.000	1	119.5030	0.000	1	118.4141	0.545	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5a]C[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	N(C[5a]C[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	117.5770	0.000	1	117.5770	0.000	1	118.4141	0.545	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5a]N[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	N(C[5a]N[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	119.2150	0.000	1	119.2150	0.000	1	118.4141	0.545	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5a]N[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	118.6202	0.237	9	118.6202	0.056	9	118.4141	0.545	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5a]N[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC[6a])(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC[6a])(O)	H(NC[5a]C)	118.1450	0.000	1	118.1450	0.000	1	118.4141	0.545	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[5])(O)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[5])(O)	H(NC[6]C)	114.0180	0.000	1	114.0180	0.000	1	115.7092	5.017	4	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[6])(O)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[6])(O)	H(NC[6]C)	116.1180	0.000	1	116.1180	0.000	1	115.7092	5.017	4	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[6a])(O)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NC[6a])(O)	H(NC[6]C)	116.3505	3.347	2	116.3505	11.201	2	115.7092	5.017	4	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]2)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6]2)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	116.7086	0.811	16	116.7086	0.658	16	116.7779	0.763	19	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]N[6])(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	118.6470	0.000	1	118.6470	0.000	1	116.7779	0.763	19	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]N[6]S[6])(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]N[6]S[6])(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	116.3985	0.088	2	116.3985	0.008	2	116.7779	0.763	19	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-2:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC)(O)	H(NC[6a]C)	112.1610	5.793	2	112.1610	33.554	2	112.9507	18.648	3	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-2:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5])(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5])(O)	H(NC[6a]C)	114.5300	0.000	1	114.5300	0.000	1	112.9507	18.648	3	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:H-1:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NC[6a])(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NC[6a])(H)	H(NC[6a]C)	117.8818	0.557	14	117.8818	0.311	14	117.5864	6.138	20	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:H-1:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NN)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NN)(H)	H(NC[6a]C)	111.2105	3.262	2	111.2105	10.640	2	117.5864	6.138	20	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:H-1:	N-3:	N(C[6a]C[6a]N[6a])(CHN)(H)	C(NC[6a]H)(NC[6a])(H)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CHN)(H)	C(NC[6a]H)(NC[6a])(H)	H(NC[6a]C)	119.7408	0.534	4	119.7408	0.285	4	117.5864	6.138	20	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC)(O)	H(NC[6a]C)	113.4530	0.000	1	113.4530	0.000	1	115.2402	5.210	33	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[5a])(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[5a])(O)	H(NC[6a]C)	117.1750	0.000	1	117.1750	0.000	1	115.2402	5.210	33	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[6])(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[6])(O)	H(NC[6a]C)	114.3330	0.000	1	114.3330	0.000	1	115.2402	5.210	33	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC)(O)	H(NC[6a]C)	114.2624	1.674	5	114.2624	2.802	5	115.2402	5.210	33	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[4])(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[4])(O)	H(NC[6a]C)	114.7120	0.000	1	114.7120	0.000	1	115.2402	5.210	33	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5])(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5])(O)	H(NC[6a]C)	114.8763	2.575	10	114.8763	6.631	10	115.2402	5.210	33	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6a])(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6a])(O)	H(NC[6a]C)	115.5161	2.655	7	115.5161	7.046	7	115.2402	5.210	33	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NH)(O)	H(NC[6a]C)	120.4770	0.000	1	120.4770	0.000	1	115.2402	5.210	33	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NN)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NN)(O)	H(NC[6a]C)	116.4740	1.387	3	116.4740	1.924	3	115.2402	5.210	33	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NC[6a])(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NC[6a])(O)	H(NC[6a]C)	113.7840	0.000	1	113.7840	0.000	1	115.2402	5.210	33	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)(NS)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)(NS)(O)	H(NC[6a]C)	115.4420	0.911	2	115.4420	0.829	2	115.2402	5.210	33	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(NC)(S)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(NC)(S)	H(NC[6a]C)	119.4210	0.000	1	119.4210	0.000	1	115.7599	3.912	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC)(S)	H(NC[6a]C)	116.3048	1.761	6	116.3048	3.103	6	115.7599	3.912	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5])(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5])(S)	H(NC[6a]C)	114.9344	0.963	5	114.9344	0.927	5	115.7599	3.912	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5a])(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5a])(S)	H(NC[6a]C)	111.3520	0.000	1	111.3520	0.000	1	115.7599	3.912	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[6a])(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[6a])(S)	H(NC[6a]C)	116.3435	1.435	2	116.3435	2.058	2	115.7599	3.912	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NN)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NN)(S)	H(NC[6a]C)	117.1000	0.000	1	117.1000	0.000	1	115.7599	3.912	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NN[5])(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NN[5])(S)	H(NC[6a]C)	114.8570	0.000	1	114.8570	0.000	1	115.7599	3.912	17	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:H-1:	N-3:	N(C[6a]C[6a]2)(CHO)(H)	C(NC[6a]H)(OPd)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHO)(H)	C(NC[6a]H)(OPd)(H)	H(NC[6a]C)	114.1400	5.862	2	114.1400	34.362	2	114.1400	34.362	2	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a,6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	H(NC[6a]C)	118.0299	1.114	11	118.0299	1.241	11	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C(NC[6a]H)(OC)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C(NC[6a]H)(OC)(O)	H(NC[6a]C)	118.1322	2.879	4	118.1322	8.288	4	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	H(NC[6a]C)	116.4153	2.158	197	116.4153	4.658	197	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5,6])(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5,6])(O)	H(NC[6a]C)	121.3890	0.000	1	121.3890	0.000	1	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5])(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5])(O)	H(NC[6a]C)	116.4665	1.166	10	116.4665	1.359	10	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[6])(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[6])(O)	H(NC[6a]C)	116.4085	2.140	13	116.4085	4.580	13	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[6a])(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[6a])(O)	H(NC[6a]C)	116.9042	1.592	38	116.9042	2.534	38	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(ON)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(ON)(O)	H(NC[6a]C)	119.5415	3.969	2	119.5415	15.753	2	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OPt)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OPt)(O)	H(NC[6a]C)	116.0722	0.983	6	116.0722	0.967	6	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OSi)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OSi)(O)	H(NC[6a]C)	117.7230	0.000	1	117.7230	0.000	1	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a]N[6a])(COO)(H)	C(NC[6a]H)(OC)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(COO)(H)	C(NC[6a]H)(OC)(O)	H(NC[6a]C)	116.5383	3.119	12	116.5383	9.726	12	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6a]C[6a]N[6a])(COO)(H)	C(NC[6a]H)(OC[6a])(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(COO)(H)	C(NC[6a]H)(OC[6a])(O)	H(NC[6a]C)	116.6753	1.592	3	116.6753	2.536	3	116.6045	4.478	298	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:S-1:	N-3:	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(OC)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(OC)(S)	H(NC[6a]C)	115.2486	1.168	28	115.2486	1.364	28	115.4614	1.933	30	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:S-1:	N-3:	N(C[6a]C[6a]N[6a])(COS)(H)	C(NC[6a]H)(OC)(S)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(COS)(H)	C(NC[6a]H)(OC)(S)	H(NC[6a]C)	118.4405	0.449	2	118.4405	0.202	2	115.4614	1.933	30	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:O-1:	N-3:	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(SC[6a])(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(SC[6a])(O)	H(NC[6a]C)	116.4163	0.415	4	116.4163	0.173	4	116.4163	0.173	4	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:S-1:	N-3:	N(C[6a]C[6a]2)(CSS)(H)	C(NC[6a]H)(SIr)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CSS)(H)	C(NC[6a]H)(SIr)(S)	H(NC[6a]C)	113.8425	1.348	2	113.8425	1.818	2	113.8425	1.818	2	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[3x4]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[3x4]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	118.5490	0.000	1	118.5490	0.000	1	120.2678	1.761	28	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	120.4738	1.000	13	120.4738	0.999	13	120.2678	1.761	28	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[5a]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[5a]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	121.3320	0.000	1	121.3320	0.000	1	120.2678	1.761	28	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[6]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[6]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	121.3040	0.344	3	121.3040	0.118	3	120.2678	1.761	28	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[6]H)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[6]H)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	118.3090	0.000	1	118.3090	0.000	1	120.2678	1.761	28	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	119.3840	2.077	4	119.3840	4.316	4	120.2678	1.761	28	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[6a]H)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[6a]H)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	119.4317	0.669	3	119.4317	0.448	3	120.2678	1.761	28	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[6a]P)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[6a]P)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	121.2320	0.000	1	121.2320	0.000	1	120.2678	1.761	28	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	122.1740	0.000	1	122.1740	0.000	1	120.2678	1.761	28	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:S-2:S-1:	N-3:	N(NC[6a]H)(CSS)(H)	C(NHN)(SC)(S)	H(NCN)	N(NC[6a]H)(CSS)(H)	C(NHN)(SC)(S)	H(NCN)	120.4495	0.521	2	120.4495	0.272	2	120.4495	0.272	2	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N[4]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(N[4]C[4]2)(COO)(H)	C(NN[4]H)(OC)(O)	H(NN[4]C)	N(N[4]C[4]2)(COO)(H)	C(NN[4]H)(OC)(O)	H(NN[4]C)	120.4560	1.128	5	120.4560	1.273	5	120.4560	1.273	5	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N[5]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(N[5]C[5]2)(COO)(H)	C(NN[5]H)(OC)(O)	H(NN[5]C)	N(N[5]C[5]2)(COO)(H)	C(NN[5]H)(OC)(O)	H(NN[5]C)	119.5460	1.250	2	119.5460	1.563	2	119.5460	1.563	2	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N[6]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(N[6]C[6]2)(COO)(H)	C(NN[6]H)(OC)(O)	H(NN[6]C)	N(N[6]C[6]2)(COO)(H)	C(NN[6]H)(OC)(O)	H(NN[6]C)	120.5710	0.000	1	120.5710	0.000	1	120.5710	0.000	1	117.1167	6.617	688	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	N-3:N-2:N-2:	N-3:	N(CC[5]O)(CNN)(H)	C(NCH)(NC)2	H(NCC)	N(CC[5]O)(CNN)(H)	C(NCH)(NC)2	H(NCC)	113.8560	0.000	1	113.8560	0.000	1	113.1502	2.132	5	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	N-3:N-2:N-2:	N-3:	N(CC[6a]O)(CNN)(H)	C(NCH)(NC)2	H(NCC)	N(CC[6a]O)(CNN)(H)	C(NCH)(NC)2	H(NCC)	113.9260	0.843	2	113.9260	0.710	2	113.1502	2.132	5	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(CNO)(H)	C(NCH)(NH)2	H(NCC)	N(CNN)(CNO)(H)	C(NCH)(NH)2	H(NCC)	113.3570	0.000	1	113.3570	0.000	1	113.1502	2.132	5	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)2(H)	C(NCH)(NH)2	H(NCC)	N(CNN)2(H)	C(NCH)(NH)2	H(NCC)	110.6860	0.000	1	110.6860	0.000	1	113.1502	2.132	5	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	N-3:N-2:O-2:	N-3:	N(CCH)(CNO)(H)	C(NCH)(NC)(OC)	H(NCC)	N(CCH)(CNO)(H)	C(NCH)(NC)(OC)	H(NCC)	111.7140	0.000	1	111.7140	0.000	1	111.7140	0.000	1	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	N-3:N-2:S-2:	N-3:	N(CCH)(CNS)(H)	C(NCH)(NN)(SC)	H(NCC)	N(CCH)(CNS)(H)	C(NCH)(NN)(SC)	H(NCC)	118.4830	0.000	1	118.4830	0.000	1	118.4830	0.000	1	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(NCH)(SCu)(NC)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NCH)(SCu)(NC)	H(NCC)	115.4070	0.000	1	115.4070	0.000	1	115.0290	1.957	3	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(NCH)(SNi)(NN)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NCH)(SNi)(NN)	H(NCC)	114.8400	1.923	2	114.8400	3.699	2	115.0290	1.957	3	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C-3:N-3:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(NCH)(H)	C(NHN)(SAg)(NP)	H(NCN)	N(CNS)(NCH)(H)	C(NHN)(SAg)(NP)	H(NCN)	124.3890	0.000	1	124.3890	0.000	1	124.3890	0.000	1	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:C-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CC)	H(NC[6a]C)	113.9480	0.000	1	113.9480	0.000	1	112.3940	4.830	2	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:C-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CN)	H(NC[6a]C)	110.8400	0.000	1	110.8400	0.000	1	112.3940	4.830	2	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NN[6])(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NN[6])(NC)	H(NC[6a]C)	110.6370	0.000	1	110.6370	0.000	1	110.6370	0.000	1	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:O-2:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5])(OLi)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5])(OLi)	H(NC[6a]C)	114.5040	0.000	1	114.5040	0.000	1	114.5040	0.000	1	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC)(SC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC)(SC)	H(NC[6a]C)	117.7230	0.000	1	117.7230	0.000	1	116.2155	4.545	2	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NN)(SV)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NN)(SV)	H(NC[6a]C)	114.7080	0.000	1	114.7080	0.000	1	116.2155	4.545	2	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:O-2:N-2:	N-3:	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	C(NC[6a]H)(OC[6a])(NC)	H(NC[6a]C)	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	C(NC[6a]H)(OC[6a])(NC)	H(NC[6a]C)	118.9860	0.000	1	118.9860	0.000	1	118.9860	0.000	1	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(SNi)(NN)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(SNi)(NN)	H(NC[6a]C)	112.4300	0.000	1	112.4300	0.000	1	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(SZn)(NN)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(SZn)(NN)	H(NC[6a]C)	116.1730	0.000	1	116.1730	0.000	1	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCd)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCd)(NN)	H(NC[6a]C)	114.7920	1.343	3	114.7920	1.804	3	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCd)(NP)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCd)(NP)	H(NC[6a]C)	114.2800	0.000	1	114.2800	0.000	1	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCo)(NP)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCo)(NP)	H(NC[6a]C)	115.5330	1.102	2	115.5330	1.214	2	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCu)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCu)(NN)	H(NC[6a]C)	115.3053	1.279	6	115.3053	1.636	6	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCu)(NP)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCu)(NP)	H(NC[6a]C)	119.3980	1.770	4	119.3980	3.132	4	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SIn[5])(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SIn[5])(NN)	H(NC[6a]C)	114.1980	0.000	1	114.1980	0.000	1	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SMn)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SMn)(NN)	H(NC[6a]C)	108.7160	0.000	1	108.7160	0.000	1	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SNi)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SNi)(NN)	H(NC[6a]C)	114.8474	1.605	13	114.8474	2.575	13	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SNi)(NP)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SNi)(NP)	H(NC[6a]C)	114.7660	0.116	2	114.7660	0.013	2	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SPd)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SPd)(NN)	H(NC[6a]C)	116.8966	2.765	7	116.8966	7.645	7	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SPd)(NP)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SPd)(NP)	H(NC[6a]C)	114.3750	0.000	1	114.3750	0.000	1	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SPt)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SPt)(NN)	H(NC[6a]C)	115.7540	2.300	5	115.7540	5.288	5	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SRu)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SRu)(NN)	H(NC[6a]C)	114.8430	0.156	2	114.8430	0.024	2	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SSn)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SSn)(NN)	H(NC[6a]C)	114.4683	1.903	3	114.4683	3.620	3	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SZn)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SZn)(NN)	H(NC[6a]C)	114.4691	1.256	10	114.4691	1.579	10	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(SCu)(NN)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(SCu)(NN)	H(NC[6a]C)	115.5490	0.000	1	115.5490	0.000	1	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(SPd)(NP)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(SPd)(NP)	H(NC[6a]C)	115.8060	0.000	1	115.8060	0.000	1	115.2888	4.643	65	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-2:O-2:	N-3:	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(SCu)(OC)	H(NC[6a]C)	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(SCu)(OC)	H(NC[6a]C)	115.0837	0.622	3	115.0837	0.387	3	115.0837	0.387	3	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	N-3:C-3:H-1:	N-3:O-2:O-2:	N-3:	N(NCoC)(COO)(H)	C(NHN)(OCo)(OC)	H(NCN)	N(NCoC)(COO)(H)	C(NHN)(OCo)(OC)	H(NCN)	123.3430	0.000	1	123.3430	0.000	1	123.3430	0.000	1	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	N-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(NCuC)(CNS)(H)	C(NHN)(SCu)(NC)	H(NCN)	N(NCuC)(CNS)(H)	C(NHN)(SCu)(NC)	H(NCN)	120.7300	0.000	1	120.7300	0.000	1	120.8595	0.034	2	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	N-3:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(NSnC)(CNS)(H)	C(NHN)(SSn)(NH)	H(NCN)	N(NSnC)(CNS)(H)	C(NHN)(SSn)(NH)	H(NCN)	120.9890	0.000	1	120.9890	0.000	1	120.8595	0.034	2	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	N-3:C-3:H-1:	N-3:S-2:S-2:	N-3:	N(NZnC)(CSS)(H)	C(NHN)(SZn)(SC)	H(NCN)	N(NZnC)(CSS)(H)	C(NHN)(SZn)(SC)	H(NCN)	123.1940	0.037	2	123.1940	0.001	2	123.1940	0.001	2	115.5741	8.307	91	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-2:N-3:	N-3:	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	H(NCC)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	H(NCC)	117.1430	0.000	1	117.1430	0.000	1	116.2219	3.328	7	114.7857	5.351	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-2:N-3:	N-3:	N(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(NC[6a])(NCH)	H(NCC)	N(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(NC[6a])(NCH)	H(NCC)	117.0498	1.492	4	117.0498	2.226	4	116.2219	3.328	7	114.7857	5.351	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-2:N-3:	N-3:	N(CC[6a]N)(CNS)(H)	C(C[6a]C[6a]2)(NC[6a])(NCH)	H(NCC)	N(CC[6a]N)(CNS)(H)	C(C[6a]C[6a]2)(NC[6a])(NCH)	H(NCC)	114.1055	0.861	2	114.1055	0.741	2	116.2219	3.328	7	114.7857	5.351	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:3:	3:	C-3:C-3:H-1:	N-3:N-2:N-3:	N-3:	N(CC[5]O)(CNN)(H)	C(NC[6a]H)(NC[6a])(NCH)	H(NCC)	N(CC[5]O)(CNN)(H)	C(NC[6a]H)(NC[6a])(NCH)	H(NCC)	117.4470	0.000	1	117.4470	0.000	1	117.4470	0.000	1	114.7857	5.351	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:3:	3:	C-3:P-3:H-1:	C[6a]-3:N-2:N-3:	N-3:	N(CC[6a]N)(PCC)(H)	C(C[6a]C[6a]2)(NC[6a])(NHP)	H(NCP)	N(CC[6a]N)(PCC)(H)	C(C[6a]C[6a]2)(NC[6a])(NHP)	H(NCP)	112.1185	1.896	2	112.1185	3.594	2	112.1185	3.594	2	114.7857	5.351	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:C-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CNO)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CNO)	H(NC[6a]C)	112.6780	0.851	4	112.6780	0.724	4	112.6780	0.724	4	114.7857	5.351	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[5a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[5a])(NCH)	H(NC[6a]C)	112.0810	0.000	1	112.0810	0.000	1	114.9960	4.210	5	114.7857	5.351	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])(NCC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])(NCC)	H(NC[6a]C)	114.9930	0.000	1	114.9930	0.000	1	114.9960	4.210	5	114.7857	5.351	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])(NCH)	H(NC[6a]C)	117.8840	0.000	1	117.8840	0.000	1	114.9960	4.210	5	114.7857	5.351	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])(NHH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])(NHH)	H(NC[6a]C)	115.0110	0.058	2	115.0110	0.003	2	114.9960	4.210	5	114.7857	5.351	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:C-4:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(NC[6a]H)(NC[6a])(CC3)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(NC[6a]H)(NC[6a])(CC3)	H(NC[6a]C)	119.4950	0.000	1	119.4950	0.000	1	116.1399	2.188	19	116.0462	2.399	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:C-4:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[5])(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[5])(CH3)	H(NC[6a]C)	116.9680	0.000	1	116.9680	0.000	1	116.1399	2.188	19	116.0462	2.399	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:C-4:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6])(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6])(CH3)	H(NC[6a]C)	115.1510	0.000	1	115.1510	0.000	1	116.1399	2.188	19	116.0462	2.399	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:C-4:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CC3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CC3)	H(NC[6a]C)	116.4913	1.359	7	116.4913	1.847	7	116.1399	2.188	19	116.0462	2.399	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:C-4:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CCCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CCCH)	H(NC[6a]C)	115.3983	1.163	3	115.3983	1.353	3	116.1399	2.188	19	116.0462	2.399	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:C-4:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CCHH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CCHH)	H(NC[6a]C)	114.5815	0.213	2	114.5815	0.045	2	116.1399	2.188	19	116.0462	2.399	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:C-4:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CH3)	H(NC[6a]C)	116.0618	1.322	4	116.0618	1.748	4	116.1399	2.188	19	116.0462	2.399	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:2:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:P-4:	N-3:	N(C[6a]C[6a]2)(CNP)(H)	C(NC[6a]H)(NC[6a])(PBCC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNP)(H)	C(NC[6a]H)(NC[6a])(PBCC)	H(NC[6a]C)	115.1565	2.614	2	115.1565	6.834	2	115.1565	6.834	2	116.0462	2.399	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(CCO)(H)	C(CCC)(NCH)(H)	H(NCC)	N(CCH)(CCO)(H)	C(CCC)(NCH)(H)	H(NCC)	118.5580	0.281	2	118.5580	0.079	2	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(CCO)(H)	C(CCH)(NCH)(H)	H(NCC)	N(CCH)(CCO)(H)	C(CCH)(NCH)(H)	H(NCC)	118.3319	0.706	10	118.3319	0.499	10	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(CCO)(H)	C(CC[6a]H)(NCH)(H)	H(NCC)	N(CCH)(CCO)(H)	C(CC[6a]H)(NCH)(H)	H(NCC)	117.3605	0.986	4	117.3605	0.973	4	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(CHO)(H)	C(CC[6a]H)(NCH)(H)	H(NCC)	N(CCH)(CHO)(H)	C(CC[6a]H)(NCH)(H)	H(NCC)	117.9640	0.000	1	117.9640	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(CNO)(H)	C(CCC)(NCH)(H)	H(NCC)	N(CCH)(CNO)(H)	C(CCC)(NCH)(H)	H(NCC)	114.3925	2.355	2	114.3925	5.548	2	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(CNO)(H)	C(CCH)(NCH)(H)	H(NCC)	N(CCH)(CNO)(H)	C(CCH)(NCH)(H)	H(NCC)	115.8250	0.000	1	115.8250	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(CNO)(H)	C(CHN)(NCH)(H)	H(NCC)	N(CCH)(CNO)(H)	C(CHN)(NCH)(H)	H(NCC)	120.6460	0.000	1	120.6460	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(CNS)(H)	C(CCC)(NCH)(H)	H(NCC)	N(CCH)(CNS)(H)	C(CCC)(NCH)(H)	H(NCC)	118.4980	0.000	1	118.4980	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(COO)(H)	C(CCC)(NCH)(H)	H(NCC)	N(CCH)(COO)(H)	C(CCC)(NCH)(H)	H(NCC)	118.7320	0.211	3	118.7320	0.044	3	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[3x6]O)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	N(CC[3x6]O)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	118.5870	0.000	1	118.5870	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6]O)(CCH)(H)	C(CCH)(NCH)(H)	H(NCC)	N(CC[6]O)(CCH)(H)	C(CCH)(NCH)(H)	H(NCC)	120.0140	0.000	1	120.0140	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6]O)(CCH)(H)	C(CII)(NCH)(H)	H(NCC)	N(CC[6]O)(CCH)(H)	C(CII)(NCH)(H)	H(NCC)	118.0930	0.000	1	118.0930	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6a]O)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	N(CC[6a]O)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	106.0010	0.000	1	106.0010	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6a]O)(CCH)(H)	C(CCH)(NCH)(H)	H(NCC)	N(CC[6a]O)(CCH)(H)	C(CCH)(NCH)(H)	H(NCC)	114.2720	0.000	1	114.2720	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6a]O)(CCH)(H)	C(CCO)(NCH)(H)	H(NCC)	N(CC[6a]O)(CCH)(H)	C(CCO)(NCH)(H)	H(NCC)	118.6020	0.000	1	118.6020	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6a]O)(CCH)(H)	C(CC[5a]C)(NCH)(H)	H(NCC)	N(CC[6a]O)(CCH)(H)	C(CC[5a]C)(NCH)(H)	H(NCC)	116.7910	0.000	1	116.7910	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6a]O)(CCH)(H)	C(CC[5a]H)(NCH)(H)	H(NCC)	N(CC[6a]O)(CCH)(H)	C(CC[5a]H)(NCH)(H)	H(NCC)	116.8940	0.000	1	116.8940	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6a]O)(CCH)(H)	C(CC[6a]P)(NCH)(H)	H(NCC)	N(CC[6a]O)(CCH)(H)	C(CC[6a]P)(NCH)(H)	H(NCC)	118.5625	0.077	2	118.5625	0.006	2	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6a]O)(CCH)(H)	C(CClC)(NCH)(H)	H(NCC)	N(CC[6a]O)(CCH)(H)	C(CClC)(NCH)(H)	H(NCC)	116.0100	0.000	1	116.0100	0.000	1	117.5050	6.206	36	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCC)(CCO)(H)	C(CClC)(NCH)(O)	H(NCC)	N(CCC)(CCO)(H)	C(CClC)(NCH)(O)	H(NCC)	112.4320	0.000	1	112.4320	0.000	1	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCH)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	N(CCH)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	116.8920	0.000	1	116.8920	0.000	1	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCN)(CCO)(H)	C(CNN)(NCH)(O)	H(NCC)	N(CCN)(CCO)(H)	C(CNN)(NCH)(O)	H(NCC)	117.2725	1.447	2	117.2725	2.095	2	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(CCS)(H)	C(CCH)(NCH)(O)	H(NCC)	N(CCO)(CCS)(H)	C(CCH)(NCH)(O)	H(NCC)	117.5320	0.000	1	117.5320	0.000	1	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(CCC)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(CCC)(NCH)(O)	H(NCC)	120.9650	0.000	1	120.9650	0.000	1	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(CCH)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(CCH)(NCH)(O)	H(NCC)	115.7690	0.697	4	115.7690	0.485	4	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(COO)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(COO)(NCH)(O)	H(NCC)	118.5060	0.000	1	118.5060	0.000	1	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(CNS)(H)	C(CCH)(NCH)(O)	H(NCC)	N(CCO)(CNS)(H)	C(CCH)(NCH)(O)	H(NCC)	115.0617	1.687	6	115.0617	2.847	6	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(COO)(H)	C(CC[6a]O)(NCH)(O)	H(NCC)	N(CCO)(COO)(H)	C(CC[6a]O)(NCH)(O)	H(NCC)	116.2930	0.000	1	116.2930	0.000	1	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(COO)(H)	C(CN[6]S)(NCH)(O)	H(NCC)	N(CCO)(COO)(H)	C(CN[6]S)(NCH)(O)	H(NCC)	115.3260	0.000	1	115.3260	0.000	1	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(COO)(H)	C(COO)(NCH)(O)	H(NCC)	N(CCO)(COO)(H)	C(COO)(NCH)(O)	H(NCC)	117.0520	0.000	1	117.0520	0.000	1	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)2(H)	C(CCC)(NCH)(O)	H(NCC)	N(CCO)2(H)	C(CCC)(NCH)(O)	H(NCC)	111.8770	0.000	1	111.8770	0.000	1	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)2(H)	C(CC[6a]C)(NCH)(O)	H(NCC)	N(CCO)2(H)	C(CC[6a]C)(NCH)(O)	H(NCC)	112.9120	1.047	2	112.9120	1.095	2	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCO)(H)	C(CC[6a]O)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCO)(H)	C(CC[6a]O)(NCH)(O)	H(NCC)	115.6060	0.000	1	115.6060	0.000	1	115.6790	4.775	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(CCO)(CCS)(H)	C(CCN)(NCH)(S)	H(NCC)	N(CCO)(CCS)(H)	C(CCN)(NCH)(S)	H(NCC)	112.3910	0.000	1	112.3910	0.000	1	111.8570	0.570	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(CC[6a]O)(CCS)(H)	C(CCN)(NCH)(S)	H(NCC)	N(CC[6a]O)(CCS)(H)	C(CCN)(NCH)(S)	H(NCC)	111.3230	0.000	1	111.3230	0.000	1	111.8570	0.570	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:N-3:H-1:	N-3:	N(CC[6a]O)(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(NCH)(H)	H(NCC)	N(CC[6a]O)(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(NCH)(H)	H(NCC)	113.5390	0.000	1	113.5390	0.000	1	113.5390	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(CC[5]O)(CNS)(H)	C(C[5]C[5]O[5])(NCH)(O)	H(NCC)	N(CC[5]O)(CNS)(H)	C(C[5]C[5]O[5])(NCH)(O)	H(NCC)	115.4290	0.000	1	115.4290	0.000	1	115.4290	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CC[6a]C)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CC[6a]C)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	117.0900	0.000	1	117.0900	0.000	1	116.8554	1.891	48	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CNN)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CNN)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	119.1480	0.000	1	119.1480	0.000	1	116.8554	1.891	48	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CNO)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CNO)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	115.8050	0.083	2	115.8050	0.007	2	116.8554	1.891	48	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	117.7365	0.911	4	117.7365	0.829	4	116.8554	1.891	48	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	116.7129	1.622	19	116.7129	2.630	19	116.8554	1.891	48	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	116.7119	1.147	20	116.7119	1.316	20	116.8554	1.891	48	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CN[6]S)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CN[6]S)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	118.4800	0.000	1	118.4800	0.000	1	116.8554	1.891	48	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(COO)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	N(CC[6]O)(COO)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	115.5570	0.000	1	115.5570	0.000	1	115.5570	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	118.6362	3.088	5	118.6362	9.534	5	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	112.7820	0.000	1	112.7820	0.000	1	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	118.4168	1.515	5	118.4168	2.294	5	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	114.1660	0.000	1	114.1660	0.000	1	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	118.5343	3.020	14	118.5343	9.121	14	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	114.5520	0.000	1	114.5520	0.000	1	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	118.2274	5.576	7	118.2274	31.097	7	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	118.6040	0.000	1	118.6040	0.000	1	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	114.7080	0.000	1	114.7080	0.000	1	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.1863	2.957	3	119.1863	8.745	3	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	118.9620	0.000	1	118.9620	0.000	1	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	122.2940	0.000	1	122.2940	0.000	1	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	118.7606	0.662	12	118.7606	0.438	12	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CHO)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CHO)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	120.4500	0.000	1	120.4500	0.000	1	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	116.1372	2.638	6	116.1372	6.957	6	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	116.1025	1.542	2	116.1025	2.378	2	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	116.8616	1.671	25	116.8616	2.791	25	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	115.7240	0.599	14	115.7240	0.358	14	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	116.7677	1.712	280	116.7677	2.931	280	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CN[5]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CN[5]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	116.8633	2.428	6	116.8633	5.893	6	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CN[6]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CN[6]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.4517	1.649	3	119.4517	2.719	3	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(COS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(COS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	115.9728	0.545	9	115.9728	0.297	9	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	116.7885	1.068	2	116.7885	1.142	2	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CSeN)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CSeN)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	117.3586	2.307	5	117.3586	5.320	5	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)2(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)2(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	117.0950	0.000	1	117.0950	0.000	1	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	115.9057	0.817	18	115.9057	0.667	18	116.9041	3.926	425	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(CC[6a]S)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	N(CC[6a]S)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	114.0630	0.000	1	114.0630	0.000	1	114.0630	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:N-1:	N-3:	N(CNN)2(H)	C(NCH)(NHH)(N)	H(NCC)	N(CNN)2(H)	C(NCH)(NHH)(N)	H(NCC)	118.8840	0.000	1	118.8840	0.000	1	117.5990	3.302	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:N-1:	N-3:	N(CNN)2(H)	C(NCoH)(NCH)(N)	H(NCC)	N(CNN)2(H)	C(NCoH)(NCH)(N)	H(NCC)	116.3140	0.000	1	116.3140	0.000	1	117.5990	3.302	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCC)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CCC)(CNO)(H)	C(NCH)2(O)	H(NCC)	111.9355	3.829	2	111.9355	14.661	2	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CCH)(CNO)(H)	C(NCH)2(O)	H(NCC)	109.6960	0.000	1	109.6960	0.000	1	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	123.0540	0.000	1	123.0540	0.000	1	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	115.4860	0.836	7	115.4860	0.699	7	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CCO)(CNO)(H)	C(NCH)2(O)	H(NCC)	114.7597	1.743	21	114.7597	3.037	21	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(NC[5]H)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(NC[5]H)(NCH)(O)	H(NCC)	112.6185	5.496	2	112.6185	30.210	2	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	113.2793	2.191	3	113.2793	4.799	3	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[3x4,3x6]O)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CC[3x4,3x6]O)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	116.0890	0.000	1	116.0890	0.000	1	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[5]O)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	N(CC[5]O)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	118.3620	0.000	1	118.3620	0.000	1	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[5]O)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[5]O)(CNO)(H)	C(NCH)2(O)	H(NCC)	115.3051	0.180	7	115.3051	0.032	7	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[5a]O)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[5a]O)(CNO)(H)	C(NCH)2(O)	H(NCC)	115.8345	0.076	2	115.8345	0.006	2	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]C)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	N(CC[6a]C)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	121.4745	0.095	2	121.4745	0.009	2	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]C)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[6a]C)(CNO)(H)	C(NCH)2(O)	H(NCC)	112.2793	0.701	3	112.2793	0.492	3	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]N)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CC[6a]N)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	113.3460	1.454	4	113.3460	2.114	4	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	N(CC[6a]O)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	117.8783	1.234	3	117.8783	1.523	3	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CC[6a]O)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	115.4780	0.000	1	115.4780	0.000	1	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[6a]O)(CNO)(H)	C(NCH)2(O)	H(NCC)	114.6939	2.171	11	114.6939	4.712	11	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNO)(H)	C(NC[5a]H)(NCH)(O)	H(NCC)	N(CC[6a]O)(CNO)(H)	C(NC[5a]H)(NCH)(O)	H(NCC)	116.1285	0.189	4	116.1285	0.036	4	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NCC)	N(CC[6a]O)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NCC)	116.5215	0.053	2	116.5215	0.003	2	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CC[6a]O)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	114.8311	1.642	17	114.8311	2.696	17	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]S)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[6a]S)(CNO)(H)	C(NCH)2(O)	H(NCC)	114.0230	0.000	1	114.0230	0.000	1	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNN)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CNN)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	117.9784	1.666	20	117.9784	2.776	20	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNN)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CNN)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	116.4310	0.000	1	116.4310	0.000	1	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(CNS)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CNO)(CNS)(H)	C(NCH)(NHH)(O)	H(NCC)	113.8390	0.000	1	113.8390	0.000	1	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(CNS)(H)	C(NCH)2(O)	H(NCC)	N(CNO)(CNS)(H)	C(NCH)2(O)	H(NCC)	114.6350	3.227	4	114.6350	10.414	4	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)2(H)	C(NCH)(NHH)(O)	H(NCC)	N(CNO)2(H)	C(NCH)(NHH)(O)	H(NCC)	116.6808	6.362	4	116.6808	40.480	4	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)2(H)	C(NCH)(NHN)(O)	H(NCC)	N(CNO)2(H)	C(NCH)(NHN)(O)	H(NCC)	116.2773	1.800	3	116.2773	3.241	3	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)2(H)	C(NCH)2(O)	H(NCC)	N(CNO)2(H)	C(NCH)2(O)	H(NCC)	116.4988	3.019	8	116.4988	9.115	8	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)2(H)	C(NC[5]C)(NCH)(O)	H(NCC)	N(CNO)2(H)	C(NC[5]C)(NCH)(O)	H(NCC)	111.3280	0.000	1	111.3280	0.000	1	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)2(H)	C(NC[6a]Co)(NCH)(O)	H(NCC)	N(CNO)2(H)	C(NC[6a]Co)(NCH)(O)	H(NCC)	110.9950	0.168	2	110.9950	0.028	2	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)2(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CNO)2(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	116.7463	0.680	4	116.7463	0.462	4	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)2(H)	C(NCoH)(NCH)(O)	H(NCC)	N(CNO)2(H)	C(NCoH)(NCH)(O)	H(NCC)	117.5900	0.272	2	117.5900	0.074	2	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)2(H)	C(NNiH)(NCH)(O)	H(NCC)	N(CNO)2(H)	C(NNiH)(NCH)(O)	H(NCC)	115.4120	0.948	2	115.4120	0.898	2	115.5619	7.091	148	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CCH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	116.7900	0.000	1	116.7900	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCO)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	N(CCO)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	116.3210	2.431	6	116.3210	5.912	6	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCO)(CNS)(H)	C(NCH)(NHH)(S)	H(NCC)	N(CCO)(CNS)(H)	C(NCH)(NHH)(S)	H(NCC)	116.8355	1.613	2	116.8355	2.601	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCO)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CCO)(CNS)(H)	C(NCH)2(S)	H(NCC)	116.3864	1.594	7	116.3864	2.540	7	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCO)(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NCC)	N(CCO)(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NCC)	115.5510	0.000	1	115.5510	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCO)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	N(CCO)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	115.2900	0.157	2	115.2900	0.025	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCO)(CNS)(H)	C(NC[6a]C)(NCH)(S)	H(NCC)	N(CCO)(CNS)(H)	C(NC[6a]C)(NCH)(S)	H(NCC)	113.6960	0.000	1	113.6960	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCO)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CCO)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	115.1131	1.272	66	115.1131	1.617	66	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCS)(CNS)(H)	C(NCH)(NCN)(S)	H(NCC)	N(CCS)(CNS)(H)	C(NCH)(NCN)(S)	H(NCC)	112.9180	0.000	1	112.9180	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[3]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[3]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	115.2270	0.119	2	115.2270	0.014	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[3x6]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[3x6]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	113.8335	0.463	2	113.8335	0.215	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5]O)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[5]O)(CNS)(H)	C(NCH)2(S)	H(NCC)	116.4460	0.000	1	116.4460	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5]O)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	N(CC[5]O)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	115.5628	0.566	6	115.5628	0.320	6	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	H(NCC)	N(CC[5]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	H(NCC)	115.1800	0.000	1	115.1800	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[5]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	115.6350	0.083	2	115.6350	0.007	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5]O)(CNS)(H)	C(NN[5]H)(NCH)(S)	H(NCC)	N(CC[5]O)(CNS)(H)	C(NN[5]H)(NCH)(S)	H(NCC)	115.7530	0.000	1	115.7530	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5a]O)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	115.7640	0.000	1	115.7640	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5a]O)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(NCH)2(S)	H(NCC)	114.5920	1.764	5	114.5920	3.110	5	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5a]O)(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NCC)	116.5400	0.197	2	116.5400	0.039	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5a]O)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	117.0690	0.000	1	117.0690	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5a]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	H(NCC)	118.6420	0.368	2	118.6420	0.135	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	114.0809	2.337	16	114.0809	5.462	16	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[6]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	115.5300	0.000	1	115.5300	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]N)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[6a]N)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	115.5535	1.186	2	115.5535	1.406	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	116.8342	2.150	27	116.8342	4.622	27	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NCH)(NHH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NCH)(NHH)(S)	H(NCC)	116.7433	3.694	3	116.7433	13.642	3	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	115.3572	2.969	13	115.3572	8.816	13	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NCH)2(S)	H(NCC)	115.1346	1.615	43	115.1346	2.607	43	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NCC)	115.0971	2.010	7	115.0971	4.038	7	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6]C)(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6]C)(NCH)(S)	H(NCC)	116.9790	0.000	1	116.9790	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	115.6293	0.450	6	115.6293	0.202	6	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6a]2)(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6a]2)(NCH)(S)	H(NCC)	117.5913	0.862	6	117.5913	0.742	6	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	H(NCC)	114.0385	1.991	2	114.0385	3.962	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	115.0463	1.364	148	115.0463	1.859	148	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NCoN)(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NCoN)(NCH)(S)	H(NCC)	114.1210	0.563	2	114.1210	0.317	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNN)(CNS)(H)	C(NCH)(NHH)(S)	H(NCC)	N(CNN)(CNS)(H)	C(NCH)(NHH)(S)	H(NCC)	115.2341	1.906	20	115.2341	3.633	20	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNN)(CNS)(H)	C(NNiH)(NCH)(S)	H(NCC)	N(CNN)(CNS)(H)	C(NNiH)(NCH)(S)	H(NCC)	119.0600	0.000	1	119.0600	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNO)(CNS)(H)	C(NCH)(NHH)(S)	H(NCC)	N(CNO)(CNS)(H)	C(NCH)(NHH)(S)	H(NCC)	115.5140	1.618	2	115.5140	2.617	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNO)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CNO)(CNS)(H)	C(NCH)2(S)	H(NCC)	115.6837	1.774	3	115.6837	3.147	3	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(COO)(H)	C(NCC)(NCH)(S)	H(NCC)	N(CNS)(COO)(H)	C(NCC)(NCH)(S)	H(NCC)	116.9990	0.000	1	116.9990	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(COO)(H)	C(NCH)(NHH)(S)	H(NCC)	N(CNS)(COO)(H)	C(NCH)(NHH)(S)	H(NCC)	116.2840	0.079	2	116.2840	0.006	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(COO)(H)	C(NCH)(NHN)(S)	H(NCC)	N(CNS)(COO)(H)	C(NCH)(NHN)(S)	H(NCC)	120.7710	0.000	1	120.7710	0.000	1	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(COO)(H)	C(NCH)2(S)	H(NCC)	N(CNS)(COO)(H)	C(NCH)2(S)	H(NCC)	115.8365	0.610	2	115.8365	0.372	2	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(COO)(H)	C(NC[5a]H)(NCH)(S)	H(NCC)	N(CNS)(COO)(H)	C(NC[5a]H)(NCH)(S)	H(NCC)	115.5347	0.417	3	115.5347	0.174	3	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(COO)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CNS)(COO)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	115.7024	2.928	38	115.7024	8.570	38	115.3758	3.430	463	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:Se-1:	N-3:	N(CC[6a]O)(CSeN)(H)	C(NCC)(NCH)(Se)	H(NCC)	N(CC[6a]O)(CSeN)(H)	C(NCC)(NCH)(Se)	H(NCC)	118.7987	1.192	3	118.7987	1.421	3	118.1000	2.900	4	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:Se-1:	N-3:	N(CC[6a]O)(CSeN)(H)	C(NC[6a]H)(NCH)(Se)	H(NCC)	N(CC[6a]O)(CSeN)(H)	C(NC[6a]H)(NCH)(Se)	H(NCC)	116.0040	0.000	1	116.0040	0.000	1	118.1000	2.900	4	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:N-3:S-1:	N-3:	N(CC[6a]O)(CN[5]S)(H)	C(N[5]C[5,5]N[5])(NCH)(S)	H(NCC)	N(CC[6a]O)(CN[5]S)(H)	C(N[5]C[5,5]N[5])(NCH)(S)	H(NCC)	113.4370	0.000	1	113.4370	0.000	1	116.3937	5.000	7	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:N-3:S-1:	N-3:	N(CC[6a]O)(CN[5]S)(H)	C(N[5]C[5]2)(NCH)(S)	H(NCC)	N(CC[6a]O)(CN[5]S)(H)	C(N[5]C[5]2)(NCH)(S)	H(NCC)	116.7218	2.179	5	116.7218	4.746	5	116.3937	5.000	7	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[5]-3:N-3:S-1:	N-3:	N(CN[5]S)(CCO)(H)	C(N[5]C[5]2)(NCH)(S)	H(NCC)	N(CN[5]S)(CCO)(H)	C(N[5]C[5]2)(NCH)(S)	H(NCC)	117.7100	0.000	1	117.7100	0.000	1	116.3937	5.000	7	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:N-3:O-1:	N-3:	N(CC[5]O)(CN[6]O)(H)	C(N[6]C[6]2)(NCH)(O)	H(NCC)	N(CC[5]O)(CN[6]O)(H)	C(N[6]C[6]2)(NCH)(O)	H(NCC)	116.1490	0.000	1	116.1490	0.000	1	116.1490	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:N-3:S-1:	N-3:	N(CC[5a]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	N(CC[5a]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	118.2960	0.000	1	118.2960	0.000	1	116.4112	11.118	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:N-3:S-1:	N-3:	N(CC[6]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	N(CC[6]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	119.4680	0.000	1	119.4680	0.000	1	116.4112	11.118	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:N-3:S-1:	N-3:	N(CC[6a]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	N(CC[6a]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	114.7640	3.423	3	114.7640	11.719	3	116.4112	11.118	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(NCC)(H)	C(CCS)(NHN)(H)	H(NCN)	N(CCH)(NCC)(H)	C(CCS)(NHN)(H)	H(NCN)	119.7240	0.000	1	119.7240	0.000	1	119.7240	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CCH)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CCH)(NHN)(O)	H(NCN)	121.2535	1.920	8	121.2535	3.686	8	120.5444	5.762	19	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CNO)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CNO)(NHN)(O)	H(NCN)	120.6760	0.000	1	120.6760	0.000	1	120.5444	5.762	19	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CCH)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CCH)(NHN)(O)	H(NCN)	117.3760	0.000	1	117.3760	0.000	1	120.5444	5.762	19	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CC[6a]N)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CC[6a]N)(NHN)(O)	H(NCN)	120.4740	3.084	2	120.4740	9.514	2	120.5444	5.762	19	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CNO)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CNO)(NHN)(O)	H(NCN)	120.1880	2.984	7	120.1880	8.903	7	120.5444	5.762	19	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(CC[5]O)(NCH)(H)	C(C[5]C[5]N[5])(NHN)(O)	H(NCN)	N(CC[5]O)(NCH)(H)	C(C[5]C[5]N[5])(NHN)(O)	H(NCN)	119.4900	0.000	1	119.4900	0.000	1	118.5353	1.526	12	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(CC[5]O)(NNiC)(H)	C(C[5]C[5]N[5])(NHN)(O)	H(NCN)	N(CC[5]O)(NNiC)(H)	C(C[5]C[5]N[5])(NHN)(O)	H(NCN)	118.4485	1.257	11	118.4485	1.579	11	118.5353	1.526	12	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	120.3971	0.855	8	120.3971	0.731	8	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	119.8840	0.001	2	119.8840	0.000	2	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	H(NCN)	121.0408	1.491	4	121.0408	2.222	4	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NCH)(H)	C(C[5a]N[5a]2)(NHN)(O)	H(NCN)	N(CC[5a]O)(NCH)(H)	C(C[5a]N[5a]2)(NHN)(O)	H(NCN)	125.8680	1.499	2	125.8680	2.247	2	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NC[6a]H)(H)	C(C[5a]C[5a]2)(NHN)(O)	H(NCN)	N(CC[5a]O)(NC[6a]H)(H)	C(C[5a]C[5a]2)(NHN)(O)	H(NCN)	118.5790	0.000	1	118.5790	0.000	1	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NCuC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NCuC)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	120.0420	0.103	2	120.0420	0.011	2	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NCuC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NCuC)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	H(NCN)	120.0925	0.487	4	120.0925	0.237	4	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]2)(NHN)(O)	H(NCN)	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]2)(NHN)(O)	H(NCN)	117.7120	0.000	1	117.7120	0.000	1	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	121.5530	1.843	9	121.5530	3.398	9	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	124.4900	2.247	3	124.4900	5.051	3	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NHH)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	H(NCN)	122.2860	0.000	1	122.2860	0.000	1	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NHH)(H)	C(C[5a]N[5a]2)(NHN)(O)	H(NCN)	N(CC[5a]O)(NHH)(H)	C(C[5a]N[5a]2)(NHN)(O)	H(NCN)	122.0880	0.000	1	122.0880	0.000	1	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NHP)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NHP)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	121.5250	0.000	1	121.5250	0.000	1	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NHS)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NHS)(H)	C(C[5a]C[5a]S[5a])(NHN)(O)	H(NCN)	115.3820	0.000	1	115.3820	0.000	1	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NOO)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NOO)(H)	C(C[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	123.0310	0.000	1	123.0310	0.000	1	121.1548	5.094	41	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6]H)(NCP)(H)	C(C[6]C[6]2)(NHN)(H)	H(NCN)	N(CC[6]H)(NCP)(H)	C(C[6]C[6]2)(NHN)(H)	H(NCN)	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	121.3958	1.518	6	121.3958	2.305	6	122.4869	5.773	20	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(NHH)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	N(CC[6]O)(NHH)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	122.9545	2.601	14	122.9545	6.765	14	122.4869	5.773	20	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:N-1:	N-3:	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(N)	H(NCN)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(N)	H(NCN)	123.3810	0.000	1	123.3810	0.000	1	123.3810	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	122.0277	2.579	13	122.0277	6.651	13	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	119.6600	0.000	1	119.6600	0.000	1	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	H(NCN)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(NHN)(O)	H(NCN)	119.8040	0.000	1	119.8040	0.000	1	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	121.7194	2.422	105	121.7194	5.864	105	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	121.0862	2.846	10	121.0862	8.099	10	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCP)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NCP)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	121.8270	0.000	1	121.8270	0.000	1	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	121.0670	0.000	1	121.0670	0.000	1	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[5a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[5a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	119.5780	0.000	1	119.5780	0.000	1	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[6]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[6]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	119.9817	0.544	3	119.9817	0.296	3	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	120.5360	0.000	1	120.5360	0.000	1	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	120.3020	0.574	3	120.3020	0.330	3	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	121.7042	3.369	11	121.7042	11.353	11	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	115.4060	0.000	1	115.4060	0.000	1	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCuC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NCuC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	119.0420	0.000	1	119.0420	0.000	1	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	122.5068	2.616	108	122.5068	6.845	108	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	121.2370	2.023	5	121.2370	4.093	5	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NHS)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	122.4495	3.359	2	122.4495	11.286	2	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NPdC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	N(CC[6a]O)(NPdC)(H)	C(C[6a]C[6a]N[6a])(NHN)(O)	H(NCN)	117.4690	0.000	1	117.4690	0.000	1	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NPtC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NPtC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	119.6420	0.000	1	119.6420	0.000	1	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NReC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NReC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	119.3043	1.642	3	119.3043	2.697	3	121.8723	6.718	273	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(CC[6a]S)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(S)	H(NCN)	N(CC[6a]S)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(S)	H(NCN)	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NCC)(H)	C(NCN)(NHN)(O)	H(NCN)	N(CNO)(NCC)(H)	C(NCN)(NHN)(O)	H(NCN)	120.4330	0.045	2	120.4330	0.002	2	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NCC)(H)	C(NHN)(NHS)(O)	H(NCN)	N(CNO)(NCC)(H)	C(NHN)(NHS)(O)	H(NCN)	120.2744	1.713	14	120.2744	2.934	14	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	H(NCN)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	H(NCN)	121.5113	2.642	6	121.5113	6.982	6	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NCH)(H)	C(NC[6a]H)(NHN)(O)	H(NCN)	N(CNO)(NCH)(H)	C(NC[6a]H)(NHN)(O)	H(NCN)	120.9514	1.436	7	120.9514	2.062	7	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	H(NCN)	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	H(NCN)	118.8927	4.021	6	118.8927	16.168	6	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NCH)(H)	C(NHN)2(O)	H(NCN)	N(CNO)(NCH)(H)	C(NHN)2(O)	H(NCN)	117.7703	2.514	3	117.7703	6.318	3	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NHH)(H)	C(NC[6a]H)(NHN)(O)	H(NCN)	N(CNO)(NHH)(H)	C(NC[6a]H)(NHN)(O)	H(NCN)	119.4065	0.084	2	119.4065	0.007	2	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NHH)(H)	C(NC[6a]O)(NHN)(O)	H(NCN)	N(CNO)(NHH)(H)	C(NC[6a]O)(NHN)(O)	H(NCN)	121.7580	0.000	1	121.7580	0.000	1	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NHH)(H)	C(NHN)2(O)	H(NCN)	N(CNO)(NHH)(H)	C(NHN)2(O)	H(NCN)	119.9975	2.363	6	119.9975	5.582	6	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NOO)(H)	C(NCH)(NHN)(O)	H(NCN)	N(CNO)(NOO)(H)	C(NCH)(NHN)(O)	H(NCN)	116.2340	0.489	2	116.2340	0.239	2	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NOO)(H)	C(NHH)(NHN)(O)	H(NCN)	N(CNO)(NOO)(H)	C(NHH)(NHN)(O)	H(NCN)	116.0240	0.000	1	116.0240	0.000	1	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NOO)(H)	C(NHN)2(O)	H(NCN)	N(CNO)(NOO)(H)	C(NHN)2(O)	H(NCN)	119.0690	0.000	1	119.0690	0.000	1	119.9063	5.984	51	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	H(NCN)	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	H(NCN)	120.7469	3.777	18	120.7469	14.266	18	120.6913	6.407	63	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NCH)(H)	C(NC[6]H)(NHN)(S)	H(NCN)	N(CNS)(NCH)(H)	C(NC[6]H)(NHN)(S)	H(NCN)	119.0823	1.542	3	119.0823	2.379	3	120.6913	6.407	63	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	121.2861	2.284	13	121.2861	5.216	13	120.6913	6.407	63	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	H(NCN)	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	H(NCN)	120.9535	1.646	19	120.9535	2.708	19	120.6913	6.407	63	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NHH)(H)	C(NCH)(NHN)(S)	H(NCN)	N(CNS)(NHH)(H)	C(NCH)(NHN)(S)	H(NCN)	120.1360	0.308	2	120.1360	0.095	2	120.6913	6.407	63	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NHH)(H)	C(NC[6]H)(NHN)(S)	H(NCN)	N(CNS)(NHH)(H)	C(NC[6]H)(NHN)(S)	H(NCN)	119.4960	0.000	1	119.4960	0.000	1	120.6913	6.407	63	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NHH)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	N(CNS)(NHH)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	120.1873	1.308	6	120.1873	1.711	6	120.6913	6.407	63	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NHH)(H)	C(NHN)2(S)	H(NCN)	N(CNS)(NHH)(H)	C(NHN)2(S)	H(NCN)	117.1310	0.000	1	117.1310	0.000	1	120.6913	6.407	63	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:P-3:O-1:	N-3:	N(COP)(NHH)(H)	C(NHN)(PHH)(O)	H(NCN)	N(COP)(NHH)(H)	C(NHN)(PHH)(O)	H(NCN)	118.9530	0.033	2	118.9530	0.001	2	118.9530	0.001	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(CN[5a]O)(NCH)(H)	C(N[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	N(CN[5a]O)(NCH)(H)	C(N[5a]C[5a]N[5a])(NHN)(O)	H(NCN)	120.5132	0.292	6	120.5132	0.085	6	120.5132	0.085	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N[6]-3:N-3:S-1:	N-3:	N(CN[6]S)(NCH)(H)	C(N[6]C[6]2)(NHN)(S)	H(NCN)	N(CN[6]S)(NCH)(H)	C(N[6]C[6]2)(NHN)(S)	H(NCN)	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:S-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6]H)(SCO)(H)	C(C[6]C[6]2)(NHS)(H)	H(NCS)	N(CC[6]H)(SCO)(H)	C(C[6]C[6]2)(NHS)(H)	H(NCS)	118.6070	0.000	1	118.6070	0.000	1	118.6070	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:S-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(SCO)(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	N(CC[6a]O)(SCO)(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[3]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[3]C[3]2)(CNS)(H)	C(NC[6a]H)(NC[3]H)(S)	H(NC[3]C)	N(C[3]C[3]2)(CNS)(H)	C(NC[6a]H)(NC[3]H)(S)	H(NC[3]C)	119.9680	0.000	1	119.9680	0.000	1	119.9680	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[4a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[4a]C[4a]2)(CNO)(H)	C(NC[4a]H)(NCH)(O)	H(NC[4a]C)	N(C[4a]C[4a]2)(CNO)(H)	C(NC[4a]H)(NCH)(O)	H(NC[4a]C)	115.7870	0.000	1	115.7870	0.000	1	115.7870	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[5]N[5]S[5])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[5]H)(O)	H(NC[5]C)	N(C[5]N[5]S[5])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[5]H)(O)	H(NC[5]C)	117.6150	0.000	1	117.6150	0.000	1	117.6150	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	119.5250	2.205	5	119.5250	4.862	5	119.1842	8.310	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	117.9610	3.101	2	117.9610	9.618	2	119.1842	8.310	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	116.8210	1.038	2	116.8210	1.078	2	119.1842	8.310	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]Se[5]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]Se[5]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	124.6530	0.000	1	124.6530	0.000	1	119.1842	8.310	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]C[5,6a]N[5])(CNO)(H)	C(NC[5]H)(NCH)(O)	H(NC[5]C)	N(C[5]C[5,6a]N[5])(CNO)(H)	C(NC[5]H)(NCH)(O)	H(NC[5]C)	117.5380	0.000	1	117.5380	0.000	1	119.1667	4.716	11	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]C[5]N[5])(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]N[5])(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[5]C)	118.6962	0.450	6	118.6962	0.203	6	119.1667	4.716	11	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]N[5]S[5])(CNO)(H)	C(NC[5]H)(NCH)(O)	H(NC[5]C)	N(C[5]N[5]S[5])(CNO)(H)	C(NC[5]H)(NCH)(O)	H(NC[5]C)	118.0820	0.000	1	118.0820	0.000	1	119.1667	4.716	11	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]N[5]S[5])(CNO)(H)	C(NC[5]H)(NHH)(O)	H(NC[5]C)	N(C[5]N[5]S[5])(CNO)(H)	C(NC[5]H)(NHH)(O)	H(NC[5]C)	119.4070	0.000	1	119.4070	0.000	1	119.1667	4.716	11	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]N[5]S[5])(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[5]C)	N(C[5]N[5]S[5])(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[5]C)	121.8150	5.187	2	121.8150	26.908	2	119.1667	4.716	11	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[5]N[5]2)(CNS)(H)	C(NC[5]H)(NHH)(S)	H(NC[5]C)	N(C[5]N[5]2)(CNS)(H)	C(NC[5]H)(NHH)(S)	H(NC[5]C)	113.0950	0.000	1	113.0950	0.000	1	117.0164	10.447	16	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[5]N[5]S[5])(CNS)(H)	C(NC[6a]H)(NC[5]H)(S)	H(NC[5]C)	N(C[5]N[5]S[5])(CNS)(H)	C(NC[6a]H)(NC[5]H)(S)	H(NC[5]C)	117.2778	3.166	15	117.2778	10.022	15	117.0164	10.447	16	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(C[5a]C[5a]N[5a])(CCO)(H)	C(CC[6a]H)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(CC[6a]H)(NC[5a]H)(O)	H(NC[5a]C)	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[5a]C[5a]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[5a]H)(O)	H(NC[5a]C)	120.6750	0.072	2	120.6750	0.005	2	118.8220	2.481	8	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[5a]C[5a]O[5a])(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]O[5a])(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[5a]H)(O)	H(NC[5a]C)	120.5100	0.000	1	120.5100	0.000	1	118.8220	2.481	8	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[5a]N[5a]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[5a]H)(O)	H(NC[5a]C)	117.0515	0.086	2	117.0515	0.007	2	118.8220	2.481	8	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CC[5a]O)(H)	C(C[5a]C[5a]2)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CC[5a]O)(H)	C(C[5a]C[5a]2)(NC[5a]H)(O)	H(NC[5a]C)	118.2043	0.336	3	118.2043	0.113	3	118.8220	2.481	8	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[5a]C[5a]2)(CC[6]H)(H)	C(C[6]C[6]2)(NC[5a]H)(H)	H(NC[5a]C)	N(C[5a]C[5a]2)(CC[6]H)(H)	C(C[6]C[6]2)(NC[5a]H)(H)	H(NC[5a]C)	108.9490	0.000	1	108.9490	0.000	1	117.7087	13.754	9	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[5a]N[5a]S[5a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[5a]H)(H)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[5a]H)(H)	H(NC[5a]C)	118.8036	1.840	8	118.8036	3.387	8	117.7087	13.754	9	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[5a]H)(O)	H(NC[5a]C)	119.2314	1.591	10	119.2314	2.532	10	119.2314	2.532	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(C[5a]C[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)	H(NC[5a]C)	N(C[5a]C[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)	H(NC[5a]C)	118.6430	0.000	1	118.6430	0.000	1	118.6430	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5a]C[5,5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5,5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	118.2830	0.000	1	118.2830	0.000	1	119.3351	5.321	68	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	119.4243	1.915	4	119.4243	3.667	4	119.3351	5.321	68	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	H(NC[5a]C)	117.0870	0.000	1	117.0870	0.000	1	119.3351	5.321	68	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5a]C[5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	120.0719	2.048	8	120.0719	4.194	8	119.3351	5.321	68	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5a]C[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	118.4446	1.915	7	118.4446	3.669	7	119.3351	5.321	68	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	118.6417	2.448	3	118.6417	5.992	3	119.3351	5.321	68	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	H(NC[5a]C)	119.3025	2.380	4	119.3025	5.666	4	119.3351	5.321	68	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(O)	H(NC[5a]C)	119.5549	2.555	38	119.5549	6.529	38	119.3351	5.321	68	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(O)	H(NC[5a]C)	117.9060	0.331	2	117.9060	0.110	2	119.3351	5.321	68	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CCC)(O)	H(NC[5a]C)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CCC)(O)	H(NC[5a]C)	113.4320	10.386	2	113.4320	107.869	2	115.9740	30.358	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	H(NC[5a]C)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	H(NC[5a]C)	113.3830	0.000	1	113.3830	0.000	1	115.9740	30.358	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	H(NC[5a]C)	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	H(NC[5a]C)	120.1760	0.000	1	120.1760	0.000	1	115.9740	30.358	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	H(NC[5a]C)	118.2570	0.000	1	118.2570	0.000	1	115.9740	30.358	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCN)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCN)(O)	H(NC[5a]C)	117.1640	0.000	1	117.1640	0.000	1	115.9740	30.358	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5a]C[5a]N[5a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[5a]C)	118.3352	1.683	9	118.3352	2.832	9	118.2295	3.986	33	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5a]C[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NCC)(O)	H(NC[5a]C)	N(C[5a]C[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NCC)(O)	H(NC[5a]C)	123.0475	2.377	2	123.0475	5.648	2	118.2295	3.986	33	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5a]C[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[5a]C)	117.7000	0.047	2	117.7000	0.002	2	118.2295	3.986	33	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5a]N[5a]2)(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]2)(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[5a]C)	116.5115	1.369	6	116.5115	1.874	6	118.2295	3.986	33	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NCH)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NCH)(O)	H(NC[5a]C)	118.3231	0.626	7	118.3231	0.391	7	118.2295	3.986	33	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[5a]C)	118.2474	1.944	7	118.2474	3.778	7	118.2295	3.986	33	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[5a]C[5a]N[5a])(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NC[5a]C)	115.9645	0.678	4	115.9645	0.459	4	115.6109	1.361	23	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[5a]C[5a]S[5a])(CNS)(H)	C(NC[5a]H)(NC[6a]H)(S)	H(NC[5a]C)	N(C[5a]C[5a]S[5a])(CNS)(H)	C(NC[5a]H)(NC[6a]H)(S)	H(NC[5a]C)	115.1670	0.000	1	115.1670	0.000	1	115.6109	1.361	23	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[5a]N[5a]2)(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NC[5a]C)	N(C[5a]N[5a]2)(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NC[5a]C)	116.5685	1.084	2	116.5685	1.175	2	115.6109	1.361	23	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[5a]N[5a]S[5a])(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CNS)(H)	C(NC[5a]H)(NCH)(S)	H(NC[5a]C)	115.9177	0.980	7	115.9177	0.961	7	115.6109	1.361	23	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[5a]N[5a]S[5a])(CNS)(H)	C(NC[5a]H)(NC[6a]H)(S)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CNS)(H)	C(NC[5a]H)(NC[6a]H)(S)	H(NC[5a]C)	115.0517	1.398	9	115.0517	1.953	9	115.6109	1.361	23	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(C[6]C[6]N[6])(CC[5]O)(H)	C(C[5]C[5]S[5])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[5]O)(H)	C(C[5]C[5]S[5])(NC[6]H)(O)	H(NC[6]C)	116.3690	0.000	1	116.3690	0.000	1	116.7365	0.270	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(C[6]N[6]2)(CC[5]O)(H)	C(C[5]C[5]S[5])(NC[6]H)(O)	H(NC[6]C)	N(C[6]N[6]2)(CC[5]O)(H)	C(C[5]C[5]S[5])(NC[6]H)(O)	H(NC[6]C)	117.1040	0.000	1	117.1040	0.000	1	116.7365	0.270	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6]H)(O)	H(NC[6]C)	116.8872	0.181	4	116.8872	0.033	4	116.8872	0.033	4	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[6]C[6]2)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6]H)(O)	H(NC[6]C)	117.1120	0.000	1	117.1120	0.000	1	114.8351	6.211	37	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[6]C[6]N[6])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6]H)(O)	H(NC[6]C)	114.7718	2.497	36	114.7718	6.236	36	114.8351	6.211	37	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	116.3550	0.000	1	116.3550	0.000	1	117.2409	2.236	119	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6,6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6,6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	119.6460	0.000	1	119.6460	0.000	1	117.2409	2.236	119	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	H(NC[6]C)	118.0590	2.031	2	118.0590	4.124	2	117.2409	2.236	119	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	117.3842	1.842	31	117.3842	3.393	31	117.2409	2.236	119	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	H(NC[6]C)	117.0419	1.185	57	117.0419	1.405	57	117.2409	2.236	119	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	117.9608	1.635	15	117.9608	2.675	15	117.2409	2.236	119	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	H(NC[6]C)	116.5132	1.406	9	116.5132	1.976	9	117.2409	2.236	119	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]N[6]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]N[6]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	117.0717	1.143	3	117.0717	1.307	3	117.2409	2.236	119	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(C[6]C[6]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6]H)(S)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6]H)(S)	H(NC[6]C)	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6]C[6]N[6])(CCH)(H)	C(NC[6]H)(CPdN)(H)	H(NC[6]C)	N(C[6]C[6]N[6])(CCH)(H)	C(NC[6]H)(CPdN)(H)	H(NC[6]C)	112.2470	0.000	1	112.2470	0.000	1	116.4085	34.636	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6]N[6]2)(CCH)(H)	C(NC[6]H)(CCN)(H)	H(NC[6]C)	N(C[6]N[6]2)(CCH)(H)	C(NC[6]H)(CCN)(H)	H(NC[6]C)	120.5700	0.000	1	120.5700	0.000	1	116.4085	34.636	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCC)(O)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCC)(O)	H(NC[6]C)	116.4989	1.330	8	116.4989	1.768	8	116.6451	1.212	12	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CNO)(O)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CNO)(O)	H(NC[6]C)	116.8507	0.423	3	116.8507	0.179	3	116.6451	1.212	12	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CNO)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CNO)(O)	H(NC[6]C)	117.1980	0.000	1	117.1980	0.000	1	116.6451	1.212	12	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NC[6]C)	116.9085	1.153	2	116.9085	1.330	2	117.3548	3.068	69	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)2(O)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)2(O)	H(NC[6]C)	117.2273	1.349	12	117.2273	1.819	12	117.3548	3.068	69	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	117.1901	1.839	46	117.1901	3.384	46	117.3548	3.068	69	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]N[6])(CNO)(H)	C(NC[6]H)(NHH)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CNO)(H)	C(NC[6]H)(NHH)(O)	H(NC[6]C)	117.8360	1.460	4	117.8360	2.131	4	117.3548	3.068	69	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]N[6])(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	118.1790	0.000	1	118.1790	0.000	1	117.3548	3.068	69	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]N[6]2)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NC[6]C)	N(C[6]N[6]2)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NC[6]C)	117.3660	0.000	1	117.3660	0.000	1	117.3548	3.068	69	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]N[6]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]N[6]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	119.7687	1.967	3	119.7687	3.870	3	117.3548	3.068	69	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6]C[6]2)(CNS)(H)	C(NC[6]H)2(S)	H(NC[6]C)	N(C[6]C[6]2)(CNS)(H)	C(NC[6]H)2(S)	H(NC[6]C)	120.8870	0.000	1	120.8870	0.000	1	117.2688	8.015	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6]C[6]2)(CNS)(H)	C(NC[6a]H)(NC[6]H)(S)	H(NC[6]C)	N(C[6]C[6]2)(CNS)(H)	C(NC[6a]H)(NC[6]H)(S)	H(NC[6]C)	115.3580	0.000	1	115.3580	0.000	1	117.2688	8.015	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6]C[6]N[6])(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NC[6]C)	N(C[6]C[6]N[6])(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NC[6]C)	119.1930	0.656	2	119.1930	0.431	2	117.2688	8.015	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6]C[6]N[6])(CNS)(H)	C(NC[6a]H)(NC[6]H)(S)	H(NC[6]C)	N(C[6]C[6]N[6])(CNS)(H)	C(NC[6a]H)(NC[6]H)(S)	H(NC[6]C)	114.4910	0.250	2	114.4910	0.063	2	117.2688	8.015	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6]-3:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(C[6]C[6]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	H(NC[6]C)	117.3750	1.628	4	117.3750	2.650	4	117.3750	2.650	4	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]C)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]C)(NC[6a]H)(H)	H(NC[6a]C)	116.7685	0.425	2	116.7685	0.181	2	117.1188	4.731	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(NC[6a]H)(H)	H(NC[6a]C)	117.2064	2.452	8	117.2064	6.013	8	117.1188	4.731	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]C)(NC[6a]H)(O)	H(NC[6a]C)	115.4490	0.000	1	115.4490	0.000	1	116.1222	4.495	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]C)(NC[6a]H)(O)	H(NC[6a]C)	114.0003	0.736	3	114.0003	0.542	3	116.1222	4.495	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]O)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]O)(NC[6a]H)(O)	H(NC[6a]C)	117.0610	3.518	4	117.0610	12.376	4	116.1222	4.495	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]C)(NC[6a]H)(O)	H(NC[6a]C)	117.8530	0.109	2	117.8530	0.012	2	116.1222	4.495	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]N)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]N)(NC[6a]H)(O)	H(NC[6a]C)	116.1200	0.000	1	116.1200	0.000	1	116.1222	4.495	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]O)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]O)(NC[6a]H)(O)	H(NC[6a]C)	116.0928	1.429	6	116.0928	2.043	6	116.1222	4.495	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(CC[5a]H)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(CC[5a]H)(NC[6a]H)(S)	H(NC[6a]C)	113.1990	0.000	1	113.1990	0.000	1	116.1030	10.349	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(CN[5a]C)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(CN[5a]C)(NC[6a]H)(S)	H(NC[6a]C)	119.5505	1.105	2	119.5505	1.221	2	116.1030	10.349	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(C[6a]C[6a]N[6a])(CCS)(H)	C(CC[6a]C[5])(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCS)(H)	C(CC[6a]C[5])(NC[6a]H)(S)	H(NC[6a]C)	114.1075	0.073	2	114.1075	0.005	2	116.1030	10.349	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-3:N-3:H-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	H(NC[6a]C)	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(O)	H(NC[6a]C)	116.0140	2.630	2	116.0140	6.919	2	116.0140	6.919	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]2)(NC[6a]H)(H)	H(NC[6a]C)	116.7160	0.665	6	116.7160	0.442	6	117.0708	1.912	12	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5])(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]H)(H)	C(C[5]C[5]N[5])(NC[6a]H)(H)	H(NC[6a]C)	117.4172	0.950	4	117.4172	0.902	4	117.0708	1.912	12	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:H-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	C(C[5]C[5]2)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	C(C[5]C[5]2)(NC[6a]H)(H)	H(NC[6a]C)	117.4425	3.822	2	117.4425	14.607	2	117.0708	1.912	12	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2)(NC[6a]H)(O)	H(NC[6a]C)	115.7414	2.647	11	115.7414	7.009	11	116.5366	6.355	22	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[6a]H)(O)	H(NC[6a]C)	117.9260	2.908	6	117.9260	8.456	6	116.5366	6.355	22	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]P[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]P[5])(NC[6a]H)(O)	H(NC[6a]C)	116.0490	0.000	1	116.0490	0.000	1	116.5366	6.355	22	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]S[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]S[5])(NC[6a]H)(O)	H(NC[6a]C)	116.3917	0.479	3	116.3917	0.229	3	116.5366	6.355	22	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]N[5,6]N[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]N[5,6]N[5])(NC[6a]H)(O)	H(NC[6a]C)	117.8710	0.000	1	117.8710	0.000	1	116.5366	6.355	22	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:H-1:	N-3:	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	H(NC[6a]C)	117.7670	0.656	2	117.7670	0.431	2	118.3582	2.074	8	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(H)	H(NC[6a]C)	116.1090	0.000	1	116.1090	0.000	1	118.3582	2.074	8	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	H(NC[6a]C)	119.0446	1.222	5	119.0446	1.494	5	118.3582	2.074	8	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	H(NC[6a]C)	113.9510	0.000	1	113.9510	0.000	1	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	H(NC[6a]C)	115.7297	0.621	3	115.7297	0.385	3	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	H(NC[6a]C)	115.9461	1.418	13	115.9461	2.010	13	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	H(NC[6a]C)	117.6535	1.595	2	117.6535	2.543	2	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]2)(NC[6a]H)(O)	H(NC[6a]C)	116.3900	2.292	18	116.3900	5.254	18	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	H(NC[6a]C)	116.2363	1.971	34	116.2363	3.886	34	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	H(NC[6a]C)	116.5617	1.813	10	116.5617	3.288	10	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	H(NC[6a]C)	117.8320	1.561	17	117.8320	2.436	17	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(O)	H(NC[6a]C)	117.2900	0.000	1	117.2900	0.000	1	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]N[5a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]N[5a]2)(NC[6a]H)(O)	H(NC[6a]C)	117.6192	1.915	8	117.6192	3.665	8	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NC[6a]H)(O)	H(NC[6a]C)	116.8800	0.000	1	116.8800	0.000	1	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	H(NC[6a]C)	116.1487	0.507	3	116.1487	0.257	3	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	H(NC[6a]C)	116.7870	0.000	1	116.7870	0.000	1	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	H(NC[6a]C)	116.8240	0.000	1	116.8240	0.000	1	116.6083	3.549	113	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]S)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]S)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(S)	H(NC[6a]C)	115.9980	0.000	1	115.9980	0.000	1	115.2327	0.530	3	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CC[5a]S)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]S)(H)	C(C[5a]C[5a]O[5a])(NC[6a]H)(S)	H(NC[6a]C)	114.8500	0.426	2	114.8500	0.181	2	115.2327	0.530	3	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(NC[6a]C)	114.5480	1.727	2	114.5480	2.982	2	114.5274	9.403	156	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(NC[6a]C)	115.9243	2.260	3	115.9243	5.105	3	114.5274	9.403	156	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(NC[6a]C)	115.8089	1.712	9	115.8089	2.932	9	114.5274	9.403	156	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(NC[6a]C)	114.1805	3.647	37	114.1805	13.303	37	114.5274	9.403	156	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(NC[6a]C)	114.3990	2.932	99	114.3990	8.599	99	114.5274	9.403	156	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	H(NC[6a]C)	115.0477	3.597	4	115.0477	12.942	4	114.5274	9.403	156	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	H(NC[6a]C)	118.3760	1.720	2	118.3760	2.957	2	114.5274	9.403	156	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	116.1712	0.669	6	116.1712	0.448	6	116.4825	1.938	80	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	H(NC[6a]C)	117.3450	1.800	2	117.3450	3.241	2	116.4825	1.938	80	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6,6]C[6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6,6]C[6])(NC[6a]H)(O)	H(NC[6a]C)	117.6780	0.000	1	117.6780	0.000	1	116.4825	1.938	80	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	116.7961	1.163	30	116.7961	1.352	30	116.4825	1.938	80	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6a]H)(O)	H(NC[6a]C)	115.7438	1.395	16	115.7438	1.947	16	116.4825	1.938	80	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]S[6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]S[6])(NC[6a]H)(O)	H(NC[6a]C)	118.1427	1.155	6	118.1427	1.335	6	116.4825	1.938	80	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6a]H)(O)	H(NC[6a]C)	116.0296	1.432	19	116.0296	2.052	19	116.4825	1.938	80	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]2)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]2)(NC[6a]H)(S)	H(NC[6a]C)	115.2985	2.577	2	115.2985	6.643	2	115.2985	6.643	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	H(NC[6a]C)	117.4190	0.000	1	117.4190	0.000	1	117.1982	6.103	46	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6a]H)(H)	H(NC[6a]C)	117.1933	2.498	45	117.1933	6.240	45	117.1982	6.103	46	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	116.3768	1.690	6	116.3768	2.855	6	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	116.3260	0.000	1	116.3260	0.000	1	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	117.4402	2.455	6	117.4402	6.025	6	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	115.4520	1.804	4	115.4520	3.256	4	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	116.2148	1.377	6	116.2148	1.897	6	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	116.2140	0.648	5	116.2140	0.420	5	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	116.4985	3.781	2	116.4985	14.295	2	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	115.6495	0.344	2	115.6495	0.119	2	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	116.9225	1.798	58	116.9225	3.231	58	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	115.8867	1.392	39	115.8867	1.939	39	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	119.5790	0.061	2	119.5790	0.004	2	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	118.7877	0.150	3	118.7877	0.022	3	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	116.4230	1.529	2	116.4230	2.337	2	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	117.8260	0.000	1	117.8260	0.000	1	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	H(NC[6a]C)	117.3840	2.295	2	117.3840	5.268	2	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	116.9729	0.960	11	116.9729	0.921	11	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	117.1447	2.330	941	117.1447	5.429	941	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	115.6501	1.984	211	115.6501	3.938	211	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	H(NC[6a]C)	117.1911	1.334	10	117.1911	1.780	10	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	H(NC[6a]C)	114.9753	1.960	4	114.9753	3.840	4	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	H(NC[6a]C)	116.8450	0.680	2	116.8450	0.463	2	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	117.3076	1.887	94	117.3076	3.560	94	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	115.4472	2.053	44	115.4472	4.216	44	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]N[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	115.4897	0.979	3	115.4897	0.959	3	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]N[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	H(NC[6a]C)	117.1070	0.000	1	117.1070	0.000	1	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	120.5280	0.000	1	120.5280	0.000	1	116.8268	5.094	1461	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(S)	H(NC[6a]C)	116.0735	1.825	11	116.0735	3.331	11	116.0731	3.254	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	H(NC[6a]C)	116.0723	1.937	6	116.0723	3.752	6	116.0731	3.254	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(NC[6a]H)(CCC)(H)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(NC[6a]H)(CCC)(H)	H(NC[6a]C)	115.2273	3.256	3	115.2273	10.604	3	116.5049	4.965	66	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	H(NC[6a]C)	116.7097	1.336	38	116.7097	1.785	38	116.5049	4.965	66	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCH)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCH)(H)	H(NC[6a]C)	116.8667	2.092	4	116.8667	4.374	4	116.5049	4.965	66	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCN)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCN)(H)	H(NC[6a]C)	113.4607	1.586	3	113.4607	2.515	3	116.5049	4.965	66	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CC[5]C)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CC[5]C)(H)	H(NC[6a]C)	117.4133	4.143	6	117.4133	17.167	6	116.5049	4.965	66	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CC[5]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CC[5]H)(H)	H(NC[6a]C)	114.2290	0.000	1	114.2290	0.000	1	116.5049	4.965	66	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CHN)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CHN)(H)	H(NC[6a]C)	112.4347	2.780	3	112.4347	7.730	3	116.5049	4.965	66	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6a]C[6a]N[6a])(CCH)(H)	C(NC[6a]H)(CCC)(H)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCH)(H)	C(NC[6a]H)(CCC)(H)	H(NC[6a]C)	117.3570	0.000	1	117.3570	0.000	1	116.5049	4.965	66	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6a]C[6a]N[6a])(CCH)(H)	C(NC[6a]H)(CHN)(H)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCH)(H)	C(NC[6a]H)(CHN)(H)	H(NC[6a]C)	118.1900	0.279	5	118.1900	0.078	5	116.5049	4.965	66	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6a]N[6a]2)(CCH)(H)	C(NC[6a]H)(CCN)(H)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCH)(H)	C(NC[6a]H)(CCN)(H)	H(NC[6a]C)	118.2520	0.089	2	118.2520	0.008	2	116.5049	4.965	66	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCH)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCH)(O)	H(NC[6a]C)	116.0700	0.695	3	116.0700	0.483	3	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CNO)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CNO)(O)	H(NC[6a]C)	117.2950	0.000	1	117.2950	0.000	1	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(COO)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(COO)(O)	H(NC[6a]C)	115.1215	0.453	2	115.1215	0.205	2	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	H(NC[6a]C)	117.5325	3.366	57	117.5325	11.333	57	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCH)(O)	H(NC[6a]C)	116.6704	1.962	57	116.6704	3.848	57	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCN)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCN)(O)	H(NC[6a]C)	114.7810	3.530	8	114.7810	12.458	8	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCO)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCO)(O)	H(NC[6a]C)	116.1063	0.811	3	116.1063	0.658	3	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCS)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCS)(O)	H(NC[6a]C)	112.7020	0.127	2	112.7020	0.016	2	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]C)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]C)(O)	H(NC[6a]C)	115.5000	0.000	1	115.5000	0.000	1	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]H)(O)	H(NC[6a]C)	119.0730	0.000	1	119.0730	0.000	1	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]O)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]O)(O)	H(NC[6a]C)	114.7670	0.000	1	114.7670	0.000	1	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHH)(O)	H(NC[6a]C)	116.3780	4.002	2	116.3780	16.018	2	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHN)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHN)(O)	H(NC[6a]C)	116.2187	1.074	3	116.2187	1.153	3	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CNO)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CNO)(O)	H(NC[6a]C)	115.9735	1.512	37	115.9735	2.287	37	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CNS)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CNS)(O)	H(NC[6a]C)	114.1330	2.107	2	114.1330	4.440	2	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(COO)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(COO)(O)	H(NC[6a]C)	116.6873	1.347	35	116.6873	1.813	35	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCC)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCC)(O)	H(NC[6a]C)	113.2825	4.136	2	113.2825	17.105	2	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCH)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCH)(O)	H(NC[6a]C)	116.4890	0.277	2	116.4890	0.077	2	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CNN)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CNN)(O)	H(NC[6a]C)	114.2258	1.797	4	114.2258	3.228	4	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CNO)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CNO)(O)	H(NC[6a]C)	115.2904	3.405	5	115.2904	11.596	5	116.5100	6.090	228	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:S-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	C(NC[6a]H)(CCC)(S)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	C(NC[6a]H)(CCC)(S)	H(NC[6a]C)	117.3850	0.000	1	117.3850	0.000	1	115.1652	4.923	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:S-1:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCC)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCC)(S)	H(NC[6a]C)	113.8060	0.000	1	113.8060	0.000	1	115.1652	4.923	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:S-1:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCH)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCH)(S)	H(NC[6a]C)	116.0050	0.000	1	116.0050	0.000	1	115.1652	4.923	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:S-1:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCS)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCS)(S)	H(NC[6a]C)	116.6350	0.000	1	116.6350	0.000	1	115.1652	4.923	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:S-1:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CNO)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CNO)(S)	H(NC[6a]C)	111.9950	0.000	1	111.9950	0.000	1	115.1652	4.923	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]Cu)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]Cu)(NC[6a]H)(H)	H(NC[6a]C)	119.6280	0.000	1	119.6280	0.000	1	117.6925	8.701	15	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NCC)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NCC)(H)	H(NC[6a]C)	118.5870	0.000	1	118.5870	0.000	1	117.6925	8.701	15	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NCH)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)(NCH)(H)	H(NC[6a]C)	113.3270	0.000	1	113.3270	0.000	1	117.6925	8.701	15	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)2(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)2(H)	H(NC[6a]C)	118.1050	3.216	10	118.1050	10.342	10	117.6925	8.701	15	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]Pt)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]Pt)(NC[6a]H)(H)	H(NC[6a]C)	116.6080	0.000	1	116.6080	0.000	1	117.6925	8.701	15	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]Ru)(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]Ru)(NC[6a]H)(H)	H(NC[6a]C)	116.1880	0.000	1	116.1880	0.000	1	117.6925	8.701	15	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	116.7148	1.424	21	116.7148	2.027	21	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	114.2640	0.000	1	114.2640	0.000	1	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	117.4410	0.000	1	117.4410	0.000	1	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	116.9585	3.027	6	116.9585	9.162	6	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[6a]C)	115.2237	2.033	3	115.2237	4.133	3	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NCC)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NCC)(O)	H(NC[6a]C)	119.2007	0.795	3	119.2007	0.632	3	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	118.0000	0.000	1	118.0000	0.000	1	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[6a]C)	116.1695	0.948	2	116.1695	0.899	2	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6a]C)	117.6244	1.584	17	117.6244	2.508	17	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NHH)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NHH)(O)	H(NC[6a]C)	117.7550	0.000	1	117.7550	0.000	1	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	117.9753	1.953	15	117.9753	3.815	15	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	H(NC[6a]C)	116.0958	2.125	21	116.0958	4.514	21	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	115.4390	0.000	1	115.4390	0.000	1	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	H(NC[6a]C)	117.6780	5.010	18	117.6780	25.096	18	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C[5])(NC[6a]H)(O)	H(NC[6a]C)	117.8470	0.000	1	117.8470	0.000	1	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCC)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCC)(O)	H(NC[6a]C)	117.7298	2.083	19	117.7298	4.339	19	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	116.3393	1.886	231	116.3393	3.558	231	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCN)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCN)(O)	H(NC[6a]C)	117.7310	0.338	2	117.7310	0.114	2	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCO)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCO)(O)	H(NC[6a]C)	117.5970	0.594	2	117.5970	0.353	2	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5]C)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5]C)(O)	H(NC[6a]C)	117.7030	0.000	1	117.7030	0.000	1	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[6a]C)	117.2446	1.327	9	117.2446	1.760	9	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6a]C)	116.8243	2.045	51	116.8243	4.182	51	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]O)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]O)(O)	H(NC[6a]C)	117.3775	0.310	2	117.3775	0.096	2	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHH)(O)	H(NC[6a]C)	116.2397	1.999	41	116.2397	3.997	41	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHN)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHN)(O)	H(NC[6a]C)	115.0336	2.072	37	115.0336	4.295	37	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHO)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHO)(O)	H(NC[6a]C)	115.6930	0.556	2	115.6930	0.309	2	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NN[6]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NN[6]H)(O)	H(NC[6a]C)	116.8400	0.000	1	116.8400	0.000	1	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NRuN)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NRuN)(O)	H(NC[6a]C)	117.3850	0.000	1	117.3850	0.000	1	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	116.8204	1.766	551	116.8204	3.118	551	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	H(NC[6a]C)	118.8870	0.000	1	118.8870	0.000	1	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NCC)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NCC)(O)	H(NC[6a]C)	113.9520	6.268	2	113.9520	39.285	2	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	115.5110	1.675	6	115.5110	2.805	6	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NHH)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)(NHH)(O)	H(NC[6a]C)	114.6500	0.000	1	114.6500	0.000	1	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	113.6741	2.548	14	113.6741	6.493	14	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	111.9940	0.731	2	111.9940	0.535	2	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	117.1428	2.838	13	117.1428	8.055	13	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NC[6a]C)	114.3993	1.251	23	114.3993	1.564	23	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	115.7055	2.900	2	115.7055	8.409	2	116.5838	4.208	1126	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	116.9930	0.000	1	116.9930	0.000	1	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C(NC[6a]H)2(S)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C(NC[6a]H)2(S)	H(NC[6a]C)	115.3520	0.000	1	115.3520	0.000	1	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[5a]H)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[5a]H)(NC[6a]H)(S)	H(NC[6a]C)	115.5915	1.715	4	115.5915	2.940	4	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	115.1731	1.813	10	115.1731	3.288	10	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NC[6a]C)	113.4064	2.965	5	113.4064	8.790	5	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[3x6]H)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[3x6]H)(NC[6a]H)(S)	H(NC[6a]C)	117.1680	0.000	1	117.1680	0.000	1	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[5a]H)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[5a]H)(NC[6a]H)(S)	H(NC[6a]C)	116.8240	1.981	6	116.8240	3.923	6	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCC)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCC)(S)	H(NC[6a]C)	116.0160	2.034	12	116.0160	4.135	12	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	115.9477	2.327	335	115.9477	5.417	335	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[3]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[3]H)(S)	H(NC[6a]C)	113.8060	0.000	1	113.8060	0.000	1	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5]H)(S)	H(NC[6a]C)	115.3046	2.782	16	115.3046	7.739	16	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[6]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[6]H)(S)	H(NC[6a]C)	115.4753	2.233	15	115.4753	4.986	15	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHH)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHH)(S)	H(NC[6a]C)	117.0920	1.384	15	117.0920	1.916	15	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NC[6a]C)	115.2640	2.347	114	115.2640	5.508	114	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHP)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHP)(S)	H(NC[6a]C)	116.7187	1.337	7	116.7187	1.787	7	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHS)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHS)(S)	H(NC[6a]C)	117.5020	0.000	1	117.5020	0.000	1	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(S)	H(NC[6a]C)	115.9917	1.497	111	115.9917	2.241	111	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	114.8965	1.915	24	114.8965	3.668	24	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(NHH)(S)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(NHH)(S)	H(NC[6a]C)	115.1800	0.800	2	115.1800	0.641	2	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NC[6a]C)	115.0330	0.000	1	115.0330	0.000	1	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(NHP)(S)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(NHP)(S)	H(NC[6a]C)	114.5731	0.464	7	114.5731	0.215	7	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)2(S)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)2(S)	H(NC[6a]C)	114.5444	1.615	5	114.5444	2.607	5	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]N[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	115.3088	1.889	8	115.3088	3.568	8	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]N[6a]2)(CNS)(H)	C(NC[6a]H)(NHH)(S)	H(NC[6a]C)	N(C[6a]N[6a]2)(CNS)(H)	C(NC[6a]H)(NHH)(S)	H(NC[6a]C)	111.4890	0.000	1	111.4890	0.000	1	115.7536	4.773	703	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:Se-1:	N-3:	N(C[6a]C[6a]2)(CSeN)(H)	C(NC[6a]H)(NCH)(Se)	H(NC[6a]C)	N(C[6a]C[6a]2)(CSeN)(H)	C(NC[6a]H)(NCH)(Se)	H(NC[6a]C)	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(NC[6a]H)(O)	H(NC[6a]C)	117.5040	0.000	1	117.5040	0.000	1	116.9035	0.950	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	H(NC[6a]C)	116.2813	0.540	6	116.2813	0.291	6	116.9035	0.950	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6a]H)(O)	H(NC[6a]C)	117.2991	1.167	8	117.2991	1.363	8	116.9035	0.950	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]N[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]N[5])(NC[6a]H)(O)	H(NC[6a]C)	117.2580	0.000	1	117.2580	0.000	1	116.9035	0.950	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]S[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]S[5])(NC[6a]H)(O)	H(NC[6a]C)	116.5170	0.000	1	116.5170	0.000	1	116.9035	0.950	17	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5,6]C[5])(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5,6]C[5])(NC[6a]H)(S)	H(NC[6a]C)	113.7260	0.000	2	113.7260	0.000	2	114.0127	5.039	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5]2)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5]2)(NC[6a]H)(S)	H(NC[6a]C)	117.2670	0.000	1	117.2670	0.000	1	114.0127	5.039	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5]N[5])(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5]N[5])(NC[6a]H)(S)	H(NC[6a]C)	113.1190	2.454	3	113.1190	6.023	3	114.0127	5.039	6	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	H(NC[6a]C)	117.6100	0.878	5	117.6100	0.770	5	117.1219	0.806	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(O)	H(NC[6a]C)	116.6050	0.000	1	116.6050	0.000	1	117.1219	0.806	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a]2)(NC[6a]H)(O)	H(NC[6a]C)	116.7130	1.226	2	116.7130	1.503	2	117.1219	0.806	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	H(NC[6a]C)	116.5690	0.516	2	116.5690	0.266	2	117.1219	0.806	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CN[5a]S)(H)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]S)(H)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(S)	H(NC[6a]C)	118.0320	0.000	1	118.0320	0.000	1	118.0320	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[6,6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	H(NC[6a]C)	118.5600	0.000	1	118.5600	0.000	1	116.8775	5.662	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[6,6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	H(NC[6a]C)	115.1950	0.000	1	115.1950	0.000	1	116.8775	5.662	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	118.2450	1.770	14	118.2450	3.134	14	117.5935	3.273	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	H(NC[6a]C)	116.7749	1.687	8	116.7749	2.846	8	117.5935	3.273	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	C(N[6]C[6]N[6])(NC[6a]H)(O)	H(NC[6a]C)	116.3075	0.015	2	116.3075	0.000	2	117.5935	3.273	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[6]-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CN[6]S)(H)	C(N[6]C[6]2)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]S)(H)	C(N[6]C[6]2)(NC[6a]H)(S)	H(NC[6a]C)	116.3347	1.997	13	116.3347	3.987	13	116.3347	3.987	13	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(NNiC)(CCO)(H)	C(CCN)(NHN)(O)	H(NCN)	N(NNiC)(CCO)(H)	C(CCN)(NHN)(O)	H(NCN)	117.9010	0.000	1	117.9010	0.000	1	117.9010	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(NC[6a]H)(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	N(NC[6a]H)(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	115.9600	4.533	2	115.9600	20.544	2	119.4434	4.524	14	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(NC[6a]H)(CNO)(H)	C(NHN)2(O)	H(NCN)	N(NC[6a]H)(CNO)(H)	C(NHN)2(O)	H(NCN)	119.5810	0.592	9	119.5810	0.351	9	119.4434	4.524	14	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(NPdC)(CNO)(H)	C(NPdH)(NHN)(O)	H(NCN)	N(NPdC)(CNO)(H)	C(NPdH)(NHN)(O)	H(NCN)	121.3530	0.197	3	121.3530	0.039	3	119.4434	4.524	14	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	118.9548	2.804	4	118.9548	7.863	4	118.9548	7.863	4	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(N[5]C[5]2)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5]2)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NN[5]H)(O)	H(NN[5]C)	124.5830	0.000	1	124.5830	0.000	1	124.5830	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[5]C[5,5]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5,5]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	H(NN[5]C)	118.3910	0.000	1	118.3910	0.000	1	120.1393	14.181	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	H(NN[5]C)	119.3344	5.422	8	119.3344	29.396	8	120.1393	14.181	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5]H)(O)	H(NN[5]C)	120.7703	2.976	13	120.7703	8.856	13	120.1393	14.181	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	H(NN[5]C)	120.1310	0.840	2	120.1310	0.706	2	120.1393	14.181	24	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(N[5]C[5]2)(CCO)(H)	C(NN[5]H)(CCC)(O)	H(NN[5]C)	N(N[5]C[5]2)(CCO)(H)	C(NN[5]H)(CCC)(O)	H(NN[5]C)	120.4065	0.404	4	120.4065	0.163	4	120.4065	0.163	4	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)(NHH)(O)	H(NN[5]C)	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)(NHH)(O)	H(NN[5]C)	121.2680	0.000	1	121.2680	0.000	1	119.9950	4.233	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)(NHS)(O)	H(NN[5]C)	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)(NHS)(O)	H(NN[5]C)	118.6550	1.091	3	118.6550	1.190	3	119.9950	4.233	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)2(O)	H(NN[5]C)	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)2(O)	H(NN[5]C)	122.7420	0.000	1	122.7420	0.000	1	119.9950	4.233	5	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(N[5]C[5,6]C[5])(CNS)(H)	C(NN[5]H)(NCH)(S)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CNS)(H)	C(NN[5]H)(NCH)(S)	H(NN[5]C)	118.8420	0.000	1	118.8420	0.000	1	118.8620	0.001	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(N[5]C[5]2)(CNS)(H)	C(NN[5]H)(NHH)(S)	H(NN[5]C)	N(N[5]C[5]2)(CNS)(H)	C(NN[5]H)(NHH)(S)	H(NN[5]C)	118.8820	0.000	1	118.8820	0.000	1	118.8620	0.001	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(N[5a]C[5a]2)(CC[6]H)(H)	C(C[6]C[6]2)(NN[5a]H)(H)	H(NN[5a]C)	N(N[5a]C[5a]2)(CC[6]H)(H)	C(C[6]C[6]2)(NN[5a]H)(H)	H(NN[5a]C)	125.7760	0.000	1	125.7760	0.000	1	124.4610	3.458	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(N[5a]C[5a]N[5a])(CC[6]H)(H)	C(C[6]C[6]2)(NN[5a]H)(H)	H(NN[5a]C)	N(N[5a]C[5a]N[5a])(CC[6]H)(H)	C(C[6]C[6]2)(NN[5a]H)(H)	H(NN[5a]C)	123.1460	0.000	1	123.1460	0.000	1	124.4610	3.458	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	122.2170	3.368	3	122.2170	11.345	3	121.8159	4.715	16	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[5a]C[5a,6]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	N(N[5a]C[5a,6]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	120.6910	0.000	1	120.6910	0.000	1	121.8159	4.715	16	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	N(N[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	120.6102	0.803	5	120.6102	0.645	5	121.8159	4.715	16	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	122.3392	1.987	5	122.3392	3.947	5	121.8159	4.715	16	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NN[5a]H)(O)	H(NN[5a]C)	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NN[5a]H)(O)	H(NN[5a]C)	123.4830	3.705	2	123.4830	13.729	2	121.8159	4.715	16	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(N[6]C[6]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NN[6]H)(O)	H(NN[6]C)	N(N[6]C[6]2)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NN[6]H)(O)	H(NN[6]C)	125.0165	2.993	2	125.0165	8.959	2	125.0165	8.959	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[6]C[6,6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	H(NN[6]C)	N(N[6]C[6,6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	H(NN[6]C)	120.6200	0.387	2	120.6200	0.150	2	122.0645	3.571	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[6]C[6,6]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	H(NN[6]C)	N(N[6]C[6,6]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	H(NN[6]C)	122.2600	0.000	1	122.2600	0.000	1	122.0645	3.571	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	H(NN[6]C)	N(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	H(NN[6]C)	122.4493	2.111	7	122.4493	4.458	7	122.0645	3.571	10	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(N[6]C[6]2)(CNO)(H)	C(NC[6a]H)(NN[6]H)(O)	H(NN[6]C)	N(N[6]C[6]2)(CNO)(H)	C(NC[6a]H)(NN[6]H)(O)	H(NN[6]C)	119.7400	0.000	1	119.7400	0.000	1	119.7400	0.000	1	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(N[6]C[6]2)(CNS)(H)	C(NN[6]H)(NHH)(S)	H(NN[6]C)	N(N[6]C[6]2)(CNS)(H)	C(NN[6]H)(NHH)(S)	H(NN[6]C)	119.5015	0.896	2	119.5015	0.803	2	119.5015	0.803	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6a]H)(O)	H(NN[6a]C)	N(N[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6a]H)(O)	H(NN[6a]C)	120.4213	1.745	4	120.4213	3.044	4	120.4213	3.044	4	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	P-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(PC[6a]2)(CNO)(H)	C(NCC)(NHP)(O)	H(NCP)	N(PC[6a]2)(CNO)(H)	C(NCC)(NHP)(O)	H(NCP)	119.5450	0.041	2	119.5450	0.002	2	119.5450	0.002	2	116.9020	7.268	6384	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:C-2:	N-3:	N(CCC)(CCO)(H)	C(CCN)(NCH)(CN)	H(NCC)	N(CCC)(CCO)(H)	C(CCN)(NCH)(CN)	H(NCC)	118.9905	0.886	2	118.9905	0.785	2	119.7087	1.940	3	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C-3:N-3:C-2:	N-3:	N(CC[6a]O)(CCC)(H)	C(CCN)(NCH)(CN)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(CCN)(NCH)(CN)	H(NCC)	121.1450	0.000	1	121.1450	0.000	1	119.7087	1.940	3	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(NC)	H(NCC)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(NC)	H(NCC)	117.8300	0.869	4	117.8300	0.755	4	117.8300	0.755	4	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(OCu)	H(NCC)	N(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(NCH)(OCu)	H(NCC)	118.8370	0.000	1	118.8370	0.000	1	115.8283	1.323	17	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(OCo)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(OCo)	H(NCC)	114.1585	0.408	2	114.1585	0.166	2	115.8283	1.323	17	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(OZn)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(OZn)	H(NCC)	115.8519	0.700	14	115.8519	0.489	14	115.8283	1.323	17	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:S-2:	N-3:	N(CC[6a]S)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	H(NCC)	N(CC[6a]S)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	H(NCC)	115.0060	0.958	3	115.0060	0.918	3	115.0060	0.918	3	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CCO)(CNN)(H)	C(NCH)(NHH)(NC)	H(NCC)	N(CCO)(CNN)(H)	C(NCH)(NHH)(NC)	H(NCC)	117.2650	0.000	1	117.2650	0.000	1	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CC[5]O)(CNN)(H)	C(NCH)(NHH)(NC)	H(NCC)	N(CC[5]O)(CNN)(H)	C(NCH)(NHH)(NC)	H(NCC)	116.6043	0.325	3	116.6043	0.105	3	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CC[5]O)(CNN)(H)	C(NCH)2(NC)	H(NCC)	N(CC[5]O)(CNN)(H)	C(NCH)2(NC)	H(NCC)	115.5070	0.000	1	115.5070	0.000	1	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CC[6]O)(CNN)(H)	C(NCH)(NHH)(NH)	H(NCC)	N(CC[6]O)(CNN)(H)	C(NCH)(NHH)(NH)	H(NCC)	117.6680	0.000	1	117.6680	0.000	1	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CC[6a]O)(CNN)(H)	C(NCH)(NHH)(NC)	H(NCC)	N(CC[6a]O)(CNN)(H)	C(NCH)(NHH)(NC)	H(NCC)	113.6860	0.000	1	113.6860	0.000	1	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(CNS)(H)	C(NCH)(NHH)(NH)	H(NCC)	N(CNN)(CNS)(H)	C(NCH)(NHH)(NH)	H(NCC)	114.4732	2.735	5	114.4732	7.478	5	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(COO)(H)	C(NCH)2(NC)	H(NCC)	N(CNN)(COO)(H)	C(NCH)2(NC)	H(NCC)	113.5217	2.652	3	113.5217	7.033	3	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(COO)(H)	C(NCH)2(NCl)	H(NCC)	N(CNN)(COO)(H)	C(NCH)2(NCl)	H(NCC)	117.7016	0.452	5	117.7016	0.204	5	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(COO)(H)	C(NC[6a]H)(NCH)(NC)	H(NCC)	N(CNN)(COO)(H)	C(NC[6a]H)(NCH)(NC)	H(NCC)	116.5553	4.050	4	116.5553	16.402	4	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)2(H)	C(NCC)(NCH)(NCo)	H(NCC)	N(CNN)2(H)	C(NCC)(NCH)(NCo)	H(NCC)	117.2100	1.188	2	117.2100	1.411	2	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)2(H)	C(NCC)(NCH)(NH)	H(NCC)	N(CNN)2(H)	C(NCC)(NCH)(NH)	H(NCC)	118.8210	0.000	1	118.8210	0.000	1	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)2(H)	C(NCH)(NHH)(NC)	H(NCC)	N(CNN)2(H)	C(NCH)(NHH)(NC)	H(NCC)	120.2270	0.000	1	120.2270	0.000	1	116.2524	6.647	28	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(CC[6a]O)(CNO)(H)	C(NC[6a]Cu)(NCH)(OC)	H(NCC)	N(CC[6a]O)(CNO)(H)	C(NC[6a]Cu)(NCH)(OC)	H(NCC)	118.8010	0.000	1	118.8010	0.000	1	116.0885	2.597	22	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(CNN)(CNO)(H)	C(NCuH)(NCH)(OC)	H(NCC)	N(CNN)(CNO)(H)	C(NCuH)(NCH)(OC)	H(NCC)	115.8691	1.697	17	115.8691	2.881	17	116.0885	2.597	22	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)2(H)	C(NCH)(NHH)(ONi)	H(NCC)	N(CNO)2(H)	C(NCH)(NHH)(ONi)	H(NCC)	116.3425	0.047	4	116.3425	0.002	4	116.0885	2.597	22	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCO)(CNS)(H)	C(NCH)(NHH)(SAg)	H(NCC)	N(CCO)(CNS)(H)	C(NCH)(NHH)(SAg)	H(NCC)	114.3460	0.000	1	114.3460	0.000	1	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCO)(CNS)(H)	C(NCH)(NHH)(SCu)	H(NCC)	N(CCO)(CNS)(H)	C(NCH)(NHH)(SCu)	H(NCC)	115.9140	0.000	1	115.9140	0.000	1	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[5a]O)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	116.6894	0.361	9	116.6894	0.131	9	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SCu)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SCu)	H(NCC)	116.2277	0.519	3	116.2277	0.269	3	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SRu)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SRu)	H(NCC)	116.6600	0.259	4	116.6600	0.067	4	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(NCH)2(SPt)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NCH)2(SPt)	H(NCC)	116.0310	1.532	4	116.0310	2.346	4	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	114.6545	2.430	2	114.6545	5.906	2	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6]H)(NCH)(SZn)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6]H)(NCH)(SZn)	H(NCC)	116.0620	0.161	2	116.0620	0.026	2	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SCu)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SCu)	H(NCC)	115.4015	0.202	2	115.4015	0.041	2	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SHg)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SHg)	H(NCC)	116.4410	0.000	1	116.4410	0.000	1	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SRh)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SRh)	H(NCC)	116.5510	0.000	1	116.5510	0.000	1	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SRu)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SRu)	H(NCC)	116.7043	0.376	3	116.7043	0.142	3	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6a]O)(CNS)(H)	C(NZnN)(NCH)(SZn)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NZnN)(NCH)(SZn)	H(NCC)	115.8734	0.654	15	115.8734	0.428	15	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(COO)(H)	C(NC[6a]H)(NCH)(SCu)	H(NCC)	N(CNS)(COO)(H)	C(NC[6a]H)(NCH)(SCu)	H(NCC)	114.7830	0.885	2	114.7830	0.784	2	116.0584	0.819	50	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(CN[5a]N)(COO)(H)	C(N[5a]C[5a]N[5a])(NCH)(NC)	H(NCC)	N(CN[5a]N)(COO)(H)	C(N[5a]C[5a]N[5a])(NCH)(NC)	H(NCC)	116.3090	0.000	1	116.3090	0.000	1	116.3090	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-2:	N-3:	N(CC[5a]O)(NFeC)(H)	C(C[5a]C[5a]N[5a])(NHN)(OFe)	H(NCN)	N(CC[5a]O)(NFeC)(H)	C(C[5a]C[5a]N[5a])(NHN)(OFe)	H(NCN)	121.9810	0.000	1	121.9810	0.000	1	120.1000	4.212	3	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-2:	N-3:	N(CC[5a]O)(NMnC)(H)	C(C[5a]C[5a]N[5a])(NHN)(OMn)	H(NCN)	N(CC[5a]O)(NMnC)(H)	C(C[5a]C[5a]N[5a])(NHN)(OMn)	H(NCN)	119.1595	1.766	2	119.1595	3.118	2	120.1000	4.212	3	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6]-3:N-3:N-2:	N-3:	N(CC[6]N)(NHH)(H)	C(C[6]C[6]N[6])(NHN)(NCu)	H(NCN)	N(CC[6]N)(NHH)(H)	C(C[6]C[6]N[6])(NHN)(NCu)	H(NCN)	120.5610	0.000	1	120.5610	0.000	1	120.5610	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(NMnC)(H)	C(C[6]C[6]2)(NHN)(OMn)	H(NCN)	N(CC[6]O)(NMnC)(H)	C(C[6]C[6]2)(NHN)(OMn)	H(NCN)	122.2415	0.226	2	122.2415	0.051	2	122.2020	1.212	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(NNiC)(H)	C(C[6]C[6]2)(NHN)(ONi)	H(NCN)	N(CC[6]O)(NNiC)(H)	C(C[6]C[6]2)(NHN)(ONi)	H(NCN)	123.0045	0.820	2	123.0045	0.672	2	122.2020	1.212	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(NZnC)(H)	C(C[6]C[6]2)(NHN)(OZn)	H(NCN)	N(CC[6]O)(NZnC)(H)	C(C[6]C[6]2)(NHN)(OZn)	H(NCN)	120.5180	0.000	1	120.5180	0.000	1	122.2020	1.212	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(NC)	H(NCN)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(NC)	H(NCN)	120.8150	0.000	1	120.8150	0.000	1	122.2095	3.889	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(NH)	H(NCN)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHN)(NH)	H(NCN)	123.6040	0.000	1	123.6040	0.000	1	122.2095	3.889	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(NC[5]Fe)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	H(NCN)	N(CC[6a]O)(NC[5]Fe)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	H(NCN)	125.7030	0.000	1	125.7030	0.000	1	123.2524	4.195	40	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(NC[6]Fe)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	H(NCN)	N(CC[6a]O)(NC[6]Fe)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	H(NCN)	121.1310	0.000	1	121.1310	0.000	1	123.2524	4.195	40	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(NCaC)(H)	C(C[6a]C[6a]2)(NHN)(OCa)	H(NCN)	N(CC[6a]O)(NCaC)(H)	C(C[6a]C[6a]2)(NHN)(OCa)	H(NCN)	124.0690	1.973	2	124.0690	3.892	2	123.2524	4.195	40	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(NCdC)(H)	C(C[6a]C[6a]2)(NHN)(OCd)	H(NCN)	N(CC[6a]O)(NCdC)(H)	C(C[6a]C[6a]2)(NHN)(OCd)	H(NCN)	124.9100	0.000	1	124.9100	0.000	1	123.2524	4.195	40	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(NCdC)(H)	C(C[6a]C[6a]N[6a])(NHN)(OCd)	H(NCN)	N(CC[6a]O)(NCdC)(H)	C(C[6a]C[6a]N[6a])(NHN)(OCd)	H(NCN)	120.1550	2.987	3	120.1550	8.924	3	123.2524	4.195	40	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(NHN)(OCo)	H(NCN)	N(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(NHN)(OCo)	H(NCN)	122.8129	0.952	7	122.8129	0.907	7	123.2524	4.195	40	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(NFeC)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	H(NCN)	N(CC[6a]O)(NFeC)(H)	C(C[6a]C[6a]2)(NHN)(OFe)	H(NCN)	124.0361	1.895	15	124.0361	3.592	15	123.2524	4.195	40	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(NMnC)(H)	C(C[6a]C[6a]2)(NHN)(OMn)	H(NCN)	N(CC[6a]O)(NMnC)(H)	C(C[6a]C[6a]2)(NHN)(OMn)	H(NCN)	123.3535	2.705	4	123.3535	7.318	4	123.2524	4.195	40	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(NNiC)(H)	C(C[6a]C[6a]2)(NHN)(ONi)	H(NCN)	N(CC[6a]O)(NNiC)(H)	C(C[6a]C[6a]2)(NHN)(ONi)	H(NCN)	123.6953	1.024	3	123.6953	1.048	3	123.2524	4.195	40	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(NZnC)(H)	C(C[6a]C[6a]2)(NHN)(OZn)	H(NCN)	N(CC[6a]O)(NZnC)(H)	C(C[6a]C[6a]2)(NHN)(OZn)	H(NCN)	121.6730	0.165	3	121.6730	0.027	3	123.2524	4.195	40	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(NCH)(H)	C(NHH)(NHN)(NN)	H(NCN)	N(CNN)(NCH)(H)	C(NHH)(NHN)(NN)	H(NCN)	116.5740	0.000	1	116.5740	0.000	1	118.9740	2.442	8	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(NHH)(H)	C(NHH)(NHN)(NH)	H(NCN)	N(CNN)(NHH)(H)	C(NHH)(NHN)(NH)	H(NCN)	119.1230	1.363	2	119.1230	1.859	2	118.9740	2.442	8	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(NHH)(H)	C(NHH)(NHN)(NN)	H(NCN)	N(CNN)(NHH)(H)	C(NHH)(NHN)(NN)	H(NCN)	121.5580	0.000	1	121.5580	0.000	1	118.9740	2.442	8	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(NHH)(H)	C(NHN)2(NN)	H(NCN)	N(CNN)(NHH)(H)	C(NHN)2(NN)	H(NCN)	118.4300	0.822	2	118.4300	0.675	2	118.9740	2.442	8	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(NOO)(H)	C(NHH)(NHN)(NH)	H(NCN)	N(CNN)(NOO)(H)	C(NHH)(NHN)(NH)	H(NCN)	120.0850	0.000	1	120.0850	0.000	1	118.9740	2.442	8	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(NOO)(H)	C(NHH)(NHN)(NN)	H(NCN)	N(CNN)(NOO)(H)	C(NHH)(NHN)(NN)	H(NCN)	118.4690	0.000	1	118.4690	0.000	1	118.9740	2.442	8	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCd)	H(NCN)	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCd)	H(NCN)	120.1435	0.390	2	120.1435	0.152	2	119.7408	0.224	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCu)	H(NCN)	N(CNS)(NHH)(H)	C(NHH)(NHN)(SCu)	H(NCN)	119.5645	0.391	2	119.5645	0.153	2	119.7408	0.224	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NHH)(H)	C(NHN)2(SFe)	H(NCN)	N(CNS)(NHH)(H)	C(NHN)2(SFe)	H(NCN)	119.2880	0.000	1	119.2880	0.000	1	119.7408	0.224	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:N-3:H-1:	N[5]-3:N-3:S-2:	N-3:	N(CN[5]S)(NPdC)(H)	C(N[5]C[5]2)(NHN)(SPd)	H(NCN)	N(CN[5]S)(NPdC)(H)	C(N[5]C[5]2)(NHN)(SPd)	H(NCN)	120.5950	0.569	2	120.5950	0.323	2	120.5950	0.323	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:O-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(OFe2)(H)	C(C[6a]C[6a]2)(NHO)(OFe)	H(NCO)	N(CC[6a]O)(OFe2)(H)	C(C[6a]C[6a]2)(NHO)(OFe)	H(NCO)	121.7630	0.000	1	121.7630	0.000	1	123.1575	3.889	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:O-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(OMn2)(H)	C(C[6a]C[6a]2)(NHO)(OMn)	H(NCO)	N(CC[6a]O)(OMn2)(H)	C(C[6a]C[6a]2)(NHO)(OMn)	H(NCO)	124.5520	0.000	1	124.5520	0.000	1	123.1575	3.889	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(C[5]N[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(OCd)	H(NC[5]C)	N(C[5]N[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(OCd)	H(NC[5]C)	122.8760	0.000	1	122.8760	0.000	1	122.8760	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	N-3:C-3:O-2:	N-3:	N(C[5]N[5]2)(CCO)(H)	C(NC[5]H)(CCH)(OCd)	H(NC[5]C)	N(C[5]N[5]2)(CCO)(H)	C(NC[5]H)(CCH)(OCd)	H(NC[5]C)	117.0223	0.638	3	117.0223	0.407	3	117.0223	0.407	3	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[5]N[5]2)(CNN)(H)	C(NC[5]H)(NHH)(NN)	H(NC[5]C)	N(C[5]N[5]2)(CNN)(H)	C(NC[5]H)(NHH)(NN)	H(NC[5]C)	117.4335	0.029	2	117.4335	0.001	2	117.4335	0.001	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[5]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[5]N[5]S[5])(CNS)(H)	C(NC[6a]H)(NC[5]H)(SRu)	H(NC[5]C)	N(C[5]N[5]S[5])(CNS)(H)	C(NC[6a]H)(NC[5]H)(SRu)	H(NC[5]C)	113.9730	0.000	1	113.9730	0.000	1	113.9730	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(OCu)	H(NC[5a]C)	N(C[5a]N[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5a]H)(OCu)	H(NC[5a]C)	120.1355	0.189	2	120.1355	0.036	2	120.1355	0.036	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[5a]-3:C-3:H-1:	N-3:C-3:O-2:	N-3:	N(C[5a]N[5a]2)(CCO)(H)	C(NC[5a]H)(CCH)(OMn)	H(NC[5a]C)	N(C[5a]N[5a]2)(CCO)(H)	C(NC[5a]H)(CCH)(OMn)	H(NC[5a]C)	115.9730	0.000	1	115.9730	0.000	1	115.9730	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6]-3:C-3:H-1:	C[6]-3:N-3:O-2:	N-3:	N(C[6]C[6]N[6])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6]H)(OCo)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6]H)(OCo)	H(NC[6]C)	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	H(NC[6]C)	117.8190	0.000	1	117.8190	0.000	1	117.8190	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6]-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(C[6]C[6]N[6])(CNO)(H)	C(NC[6a]H)(NC[6]H)(OCu)	H(NC[6]C)	N(C[6]C[6]N[6])(CNO)(H)	C(NC[6a]H)(NC[6]H)(OCu)	H(NC[6]C)	116.3950	0.000	1	116.3950	0.000	1	116.3950	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6]C[6]N[6])(CNS)(H)	C(NC[6]H)(NCH)(SZn)	H(NC[6]C)	N(C[6]C[6]N[6])(CNS)(H)	C(NC[6]H)(NCH)(SZn)	H(NC[6]C)	114.5625	0.036	2	114.5625	0.001	2	114.5625	0.001	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-2:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NO)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NO)	H(NC[6a]C)	115.5650	0.000	1	115.5650	0.000	1	116.0285	3.714	14	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NC[6a])	H(NC[6a]C)	114.8320	0.000	1	114.8320	0.000	1	116.0285	3.714	14	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NO)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NO)	H(NC[6a]C)	116.2640	2.257	10	116.2640	5.093	10	116.0285	3.714	14	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]P)(NC[6a]H)(NS)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]P)(NC[6a]H)(NS)	H(NC[6a]C)	115.6810	0.016	2	115.6810	0.000	2	116.0285	3.714	14	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(CN[5a]C)(NC[6a]H)(SC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(CN[5a]C)(NC[6a]H)(SC)	H(NC[6a]C)	114.5880	0.000	1	114.5880	0.000	1	114.5880	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2)(NC[6a]H)(OH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2)(NC[6a]H)(OH)	H(NC[6a]C)	114.9510	1.696	2	114.9510	2.875	2	115.7990	0.876	13	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[6a]H)(OCo)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[6a]H)(OCo)	H(NC[6a]C)	115.9601	0.882	8	115.9601	0.777	8	115.7990	0.876	13	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[6a]H)(OCu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[6a]H)(OCu)	H(NC[6a]C)	116.2165	0.148	2	116.2165	0.022	2	115.7990	0.876	13	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[6a]H)(OZn)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[6a]H)(OZn)	H(NC[6a]C)	115.3710	0.000	1	115.3710	0.000	1	115.7990	0.876	13	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(NS)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(NS)	H(NC[6a]C)	119.2340	0.000	1	119.2340	0.000	1	119.2340	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CC[5a]S)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(SCo)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]S)(H)	C(C[5a]C[5a]N[5a])(NC[6a]H)(SCo)	H(NC[6a]C)	114.8107	1.267	4	114.8107	1.606	4	114.8107	1.606	4	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]H)(NC[6])	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]H)(NC[6])	H(NC[6a]C)	117.7470	0.000	1	117.7470	0.000	1	117.7470	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6a]H)(OC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6a]H)(OC)	H(NC[6a]C)	113.6610	0.000	1	113.6610	0.000	1	116.0269	1.996	7	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6a]H)(OCu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6a]H)(OCu)	H(NC[6a]C)	118.5300	0.000	1	118.5300	0.000	1	116.0269	1.996	7	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6a]H)(OMn)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6])(NC[6a]H)(OMn)	H(NC[6a]C)	115.9994	0.167	5	115.9994	0.028	5	116.0269	1.996	7	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]2)(NC[6a]H)(SC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]2)(NC[6a]H)(SC)	H(NC[6a]C)	116.0705	1.513	2	116.0705	2.288	2	116.9033	3.329	19	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SFe)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SFe)	H(NC[6a]C)	118.7827	1.078	6	118.7827	1.162	6	116.9033	3.329	19	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SOs)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SOs)	H(NC[6a]C)	117.2700	0.000	1	117.2700	0.000	1	116.9033	3.329	19	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SPd)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SPd)	H(NC[6a]C)	118.0660	0.000	1	118.0660	0.000	1	116.9033	3.329	19	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SPt)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SPt)	H(NC[6a]C)	115.4924	1.299	8	115.4924	1.687	8	116.9033	3.329	19	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SRu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SRu)	H(NC[6a]C)	117.0510	0.000	1	117.0510	0.000	1	116.9033	3.329	19	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	H(NC[6a]C)	113.5840	0.000	1	113.5840	0.000	1	114.2647	14.925	32	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	H(NC[6a]C)	116.3647	2.303	9	116.3647	5.305	9	114.2647	14.925	32	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC[5a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC[5a])	H(NC[6a]C)	115.7400	0.000	1	115.7400	0.000	1	114.2647	14.925	32	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	H(NC[6a]C)	115.5557	3.850	10	115.5557	14.819	10	114.2647	14.925	32	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NN)	H(NC[6a]C)	114.3970	0.000	1	114.3970	0.000	1	114.2647	14.925	32	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NO)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NO)	H(NC[6a]C)	116.1510	0.000	1	116.1510	0.000	1	114.2647	14.925	32	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NRh)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NRh)	H(NC[6a]C)	115.5720	0.000	1	115.5720	0.000	1	114.2647	14.925	32	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NRu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NRu)	H(NC[6a]C)	115.7990	0.000	1	115.7990	0.000	1	114.2647	14.925	32	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	H(NC[6a]C)	108.9124	1.812	7	108.9124	3.282	7	114.2647	14.925	32	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(OCr)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(OCr)	H(NC[6a]C)	119.6630	0.000	1	119.6630	0.000	1	118.0897	7.533	4	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(OPd)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(OPd)	H(NC[6a]C)	117.5653	3.106	3	117.5653	9.650	3	118.0897	7.533	4	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:P-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a])	H(NC[6a]C)	114.5770	0.600	2	114.5770	0.360	2	114.5770	0.360	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(SPd)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(SPd)	H(NC[6a]C)	118.6827	1.162	4	118.6827	1.349	4	118.4319	2.511	8	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(SPt)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NC[6a]H)(SPt)	H(NC[6a]C)	118.1810	2.084	4	118.1810	4.342	4	118.4319	2.511	8	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:N-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCC)(NS)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCC)(NS)	H(NC[6a]C)	115.4484	0.336	5	115.4484	0.113	5	115.1491	1.344	7	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:N-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCN)(NO)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCN)(NO)	H(NC[6a]C)	112.6630	0.000	1	112.6630	0.000	1	115.1491	1.344	7	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:N-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CHN)(NO)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CHN)(NO)	H(NC[6a]C)	116.1390	0.000	1	116.1390	0.000	1	115.1491	1.344	7	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(OH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(OH)	H(NC[6a]C)	116.9920	4.178	3	116.9920	17.452	3	117.6478	13.354	4	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCP)(OH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCP)(OH)	H(NC[6a]C)	119.6150	0.000	1	119.6150	0.000	1	117.6478	13.354	4	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:S-2:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCC)(SC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCC)(SC)	H(NC[6a]C)	114.1960	0.000	1	114.1960	0.000	1	115.3125	0.628	10	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:S-2:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCC)(SH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCC)(SH)	H(NC[6a]C)	114.8390	0.000	1	114.8390	0.000	1	115.3125	0.628	10	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:S-2:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCS)(SC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCS)(SC)	H(NC[6a]C)	115.5113	0.743	8	115.5113	0.552	8	115.3125	0.628	10	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Al)(NC[6a]H)(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Al)(NC[6a]H)(NC)	H(NC[6a]C)	117.7950	0.143	2	117.7950	0.020	2	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]As)(NC[6a]H)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]As)(NC[6a]H)(NC[6a])	H(NC[6a]C)	117.5910	0.000	1	117.5910	0.000	1	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]C)(NC[6a]H)(NS)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]C)(NC[6a]H)(NS)	H(NC[6a]C)	118.6870	0.000	1	118.6870	0.000	1	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCC)(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCC)(NC)	H(NC[6a]C)	118.1900	0.629	2	118.1900	0.396	2	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCC)(NTi)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCC)(NTi)	H(NC[6a]C)	119.0410	0.000	1	119.0410	0.000	1	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	H(NC[6a]C)	115.7504	1.631	11	115.7504	2.660	11	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[5]H)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[5]H)(NC[6a])	H(NC[6a]C)	117.1430	0.000	1	117.1430	0.000	1	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NHH)(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NHH)(NC)	H(NC[6a]C)	115.4762	2.342	24	115.4762	5.483	24	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NNiH)(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NNiH)(NC)	H(NC[6a]C)	114.9127	0.812	3	114.9127	0.660	3	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC)	H(NC[6a]C)	117.0180	1.233	4	117.0180	1.520	4	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[5a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[5a])	H(NC[6a]C)	116.9110	0.549	2	116.9110	0.301	2	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6a])	H(NC[6a]C)	117.4741	1.300	14	117.4741	1.689	14	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NS)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NS)	H(NC[6a]C)	118.0410	0.384	4	118.0410	0.147	4	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pt)(NC[6a]H)(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pt)(NC[6a]H)(NC)	H(NC[6a]C)	115.8697	0.681	3	115.8697	0.463	3	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Si)(NC[6a]H)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Si)(NC[6a]H)(NC[6a])	H(NC[6a]C)	114.2695	0.699	2	114.2695	0.489	2	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]N[6a])(CNN)(H)	C(NC[6a]H)(NCH)(NC)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNN)(H)	C(NC[6a]H)(NCH)(NC)	H(NC[6a]C)	115.1160	0.000	1	115.1160	0.000	1	116.3659	3.731	76	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(OCu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(OCu)	H(NC[6a]C)	118.4770	0.000	1	118.4770	0.000	1	116.7402	4.556	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHH)(ORh)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHH)(ORh)	H(NC[6a]C)	115.6820	0.000	1	115.6820	0.000	1	116.7402	4.556	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHN)(OCd)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NHN)(OCd)	H(NC[6a]C)	115.1970	0.000	1	115.1970	0.000	1	116.7402	4.556	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(OH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(OH)	H(NC[6a]C)	117.1725	3.367	2	117.1725	11.334	2	116.7402	4.556	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(NCH)(SRu)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C(NC[6a]H)(NCH)(SRu)	H(NC[6a]C)	117.7640	0.000	1	117.7640	0.000	1	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCC)(SZn)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCC)(SZn)	H(NC[6a]C)	118.4870	0.000	1	118.4870	0.000	1	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(SCu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(SCu)	H(NC[6a]C)	117.2556	0.884	5	117.2556	0.781	5	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(SHg)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(SHg)	H(NC[6a]C)	118.3750	0.000	1	118.3750	0.000	1	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(SRh)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(SRh)	H(NC[6a]C)	117.6330	0.000	1	117.6330	0.000	1	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(SRu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(SRu)	H(NC[6a]C)	116.6027	0.636	6	116.6027	0.405	6	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5]H)(SRu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5]H)(SRu)	H(NC[6a]C)	115.4450	0.000	1	115.4450	0.000	1	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHH)(SAg)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHH)(SAg)	H(NC[6a]C)	116.6945	0.992	2	116.6945	0.984	2	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHH)(SCu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHH)(SCu)	H(NC[6a]C)	115.0320	1.963	4	115.0320	3.855	4	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(SCd)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(SCd)	H(NC[6a]C)	116.7020	0.000	1	116.7020	0.000	1	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(SCu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(SCu)	H(NC[6a]C)	111.5757	2.590	3	111.5757	6.708	3	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(SNi)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(SNi)	H(NC[6a]C)	117.0020	0.000	1	117.0020	0.000	1	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(SRe)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(SRe)	H(NC[6a]C)	114.4340	0.000	1	114.4340	0.000	1	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(SRu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NHN)(SRu)	H(NC[6a]C)	116.0160	0.440	2	116.0160	0.193	2	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NNiP)(SNi)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NNiP)(SNi)	H(NC[6a]C)	113.2380	0.000	1	113.2380	0.000	1	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(SCu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(SCu)	H(NC[6a]C)	116.8547	1.066	28	116.8547	1.137	28	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(SPd)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(SPd)	H(NC[6a]C)	120.5265	5.635	2	120.5265	31.752	2	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(NCH)(SCu)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)(NCH)(SCu)	H(NC[6a]C)	114.9285	0.245	2	114.9285	0.060	2	116.4777	3.970	63	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:P-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNP)(H)	C(NC[6a]H)(PC[6]2)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CNP)(H)	C(NC[6a]H)(PC[6]2)(NC[6a])	H(NC[6a]C)	116.7310	0.000	1	116.7310	0.000	1	117.4435	1.015	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:P-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNP)(H)	C(NC[6a]H)(PC[6a]2)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CNP)(H)	C(NC[6a]H)(PC[6a]2)(NC[6a])	H(NC[6a]C)	118.1560	0.000	1	118.1560	0.000	1	117.4435	1.015	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCu2)(NP)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SCu2)(NP)	H(NC[6a]C)	114.4490	5.918	2	114.4490	35.028	2	115.1968	9.735	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SRe2)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(SRe2)(NN)	H(NC[6a]C)	115.6953	1.012	3	115.6953	1.023	3	115.1968	9.735	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:S-3:S-2:	N-3:	N(C[6a]C[6a]2)(CSS)(H)	C(NC[6a]H)(SPt2)(SPt)	H(NC[6a]C)	N(C[6a]C[6a]2)(CSS)(H)	C(NC[6a]H)(SPt2)(SPt)	H(NC[6a]C)	114.0850	0.107	2	114.0850	0.012	2	114.0850	0.012	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N[5]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CN[5]N)(H)	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]N)(H)	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	H(NC[6a]C)	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC)	H(NC[6a]C)	108.8700	0.000	1	108.8700	0.000	1	114.7336	6.982	9	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	H(NC[6a]C)	114.4023	1.779	3	114.4023	3.163	3	114.7336	6.982	9	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a]2)(NC[6a]H)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a]2)(NC[6a]H)(NC[6a])	H(NC[6a]C)	115.8810	1.212	4	115.8810	1.470	4	114.7336	6.982	9	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(NC[5a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C(N[5a]C[5a]N[5a])(NC[6a]H)(NC[5a])	H(NC[6a]C)	117.0010	0.000	1	117.0010	0.000	1	114.7336	6.982	9	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N[6]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	H(NC[6a]C)	116.4246	1.527	5	116.4246	2.331	5	116.4246	2.331	5	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	C-3:N-3:O-2:	N-3:	N(NFeC)(CCO)(H)	C(CCN)(NHN)(OFe)	H(NCN)	N(NFeC)(CCO)(H)	C(CCN)(NHN)(OFe)	H(NCN)	125.9615	1.268	2	125.9615	1.607	2	124.7692	2.440	4	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	C-3:N-3:O-2:	N-3:	N(NFeC)(CCO)(H)	C(CNO)(NHN)(OFe)	H(NCN)	N(NFeC)(CCO)(H)	C(CNO)(NHN)(OFe)	H(NCN)	123.5770	0.165	2	123.5770	0.027	2	124.7692	2.440	4	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	C-3:N-3:S-2:	N-3:	N(NRuN)(CCS)(H)	C(CCH)(NHN)(SRu)	H(NCN)	N(NRuN)(CCS)(H)	C(CCH)(NHN)(SRu)	H(NCN)	118.3215	2.961	2	118.3215	8.765	2	118.3215	8.765	2	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(NCdC)(CNO)(H)	C(NC[6a]H)(NHN)(OCd)	H(NCN)	N(NCdC)(CNO)(H)	C(NC[6a]H)(NHN)(OCd)	H(NCN)	121.5540	0.000	1	121.5540	0.000	1	122.4535	2.403	13	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(NCdC)(CNO)(H)	C(NHH)(NHN)(OCd)	H(NCN)	N(NCdC)(CNO)(H)	C(NHH)(NHN)(OCd)	H(NCN)	122.3020	0.000	1	122.3020	0.000	1	122.4535	2.403	13	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(NCoC)(CNO)(H)	C(NHH)(NHN)(OCo)	H(NCN)	N(NCoC)(CNO)(H)	C(NHH)(NHN)(OCo)	H(NCN)	122.5644	0.736	5	122.5644	0.542	5	122.4535	2.403	13	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(NFeC)(CNO)(H)	C(NHH)(NHN)(OFe)	H(NCN)	N(NFeC)(CNO)(H)	C(NHH)(NHN)(OFe)	H(NCN)	126.1480	0.000	1	126.1480	0.000	1	122.4535	2.403	13	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(NMnC)(CNO)(H)	C(NHH)(NHN)(OMn)	H(NCN)	N(NMnC)(CNO)(H)	C(NHH)(NHN)(OMn)	H(NCN)	122.4502	0.814	4	122.4502	0.663	4	122.4535	2.403	13	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(NRhC)(CNO)(H)	C(NHH)(NHN)(ORh)	H(NCN)	N(NRhC)(CNO)(H)	C(NHH)(NHN)(ORh)	H(NCN)	119.2690	0.000	1	119.2690	0.000	1	122.4535	2.403	13	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NC[6]Zn)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCN)	N(NC[6]Zn)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCN)	120.9610	1.045	2	120.9610	1.092	2	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NCdC)(CNS)(H)	C(NCH)(NHN)(SCd)	H(NCN)	N(NCdC)(CNS)(H)	C(NCH)(NHN)(SCd)	H(NCN)	115.4340	0.000	1	115.4340	0.000	1	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NCuC)(CNS)(H)	C(NCH)(NHN)(SCu)	H(NCN)	N(NCuC)(CNS)(H)	C(NCH)(NHN)(SCu)	H(NCN)	120.9520	2.493	3	120.9520	6.215	3	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NCuC)(CNS)(H)	C(NC[6a]H)(NHN)(SCu)	H(NCN)	N(NCuC)(CNS)(H)	C(NC[6a]H)(NHN)(SCu)	H(NCN)	123.3300	0.000	1	123.3300	0.000	1	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NFeC)(CNS)(H)	C(NCH)(NHN)(SFe)	H(NCN)	N(NFeC)(CNS)(H)	C(NCH)(NHN)(SFe)	H(NCN)	120.5690	0.000	1	120.5690	0.000	1	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NFeC)(CNS)(H)	C(NFeH)(NHN)(SC)	H(NCN)	N(NFeC)(CNS)(H)	C(NFeH)(NHN)(SC)	H(NCN)	125.3280	0.000	1	125.3280	0.000	1	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NMnC)(CNS)(H)	C(NHH)(NHN)(SMn)	H(NCN)	N(NMnC)(CNS)(H)	C(NHH)(NHN)(SMn)	H(NCN)	120.8392	1.742	4	120.8392	3.034	4	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NNiC)(CNS)(H)	C(NCC)(NHN)(SNi)	H(NCN)	N(NNiC)(CNS)(H)	C(NCC)(NHN)(SNi)	H(NCN)	121.0460	0.601	2	121.0460	0.361	2	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NNiC)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCN)	N(NNiC)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCN)	120.3812	3.726	4	120.3812	13.886	4	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NNiC)(CNS)(H)	C(NC[6a]H)(NHN)(SNi)	H(NCN)	N(NNiC)(CNS)(H)	C(NC[6a]H)(NHN)(SNi)	H(NCN)	121.0230	0.000	1	121.0230	0.000	1	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NNiC)(CNS)(H)	C(NHH)(NHN)(SNi)	H(NCN)	N(NNiC)(CNS)(H)	C(NHH)(NHN)(SNi)	H(NCN)	122.1286	2.950	5	122.1286	8.705	5	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NPbC)(CNS)(H)	C(NHH)(NHN)(SPb)	H(NCN)	N(NPbC)(CNS)(H)	C(NHH)(NHN)(SPb)	H(NCN)	121.0280	0.000	1	121.0280	0.000	1	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NPdC)(CNS)(H)	C(NCH)(NHN)(SPd)	H(NCN)	N(NPdC)(CNS)(H)	C(NCH)(NHN)(SPd)	H(NCN)	119.9790	0.000	1	119.9790	0.000	1	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NPtC)(CNS)(H)	C(NHH)(NHN)(SPt)	H(NCN)	N(NPtC)(CNS)(H)	C(NHH)(NHN)(SPt)	H(NCN)	120.3030	0.000	1	120.3030	0.000	1	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NReC)(CNS)(H)	C(NCC)(NHN)(SRe)	H(NCN)	N(NReC)(CNS)(H)	C(NCC)(NHN)(SRe)	H(NCN)	122.0370	0.000	1	122.0370	0.000	1	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NReC)(CNS)(H)	C(NCH)(NHN)(SRe)	H(NCN)	N(NReC)(CNS)(H)	C(NCH)(NHN)(SRe)	H(NCN)	119.2945	0.296	2	119.2945	0.088	2	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NReC)(CNS)(H)	C(NC[6a]H)(NHN)(SRe)	H(NCN)	N(NReC)(CNS)(H)	C(NC[6a]H)(NHN)(SRe)	H(NCN)	119.0290	0.000	1	119.0290	0.000	1	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NReC)(CNS)(H)	C(NHH)(NHN)(SRe)	H(NCN)	N(NReC)(CNS)(H)	C(NHH)(NHN)(SRe)	H(NCN)	119.5227	0.468	3	119.5227	0.219	3	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NRuC)(CNS)(H)	C(NCH)(NHN)(SRu)	H(NCN)	N(NRuC)(CNS)(H)	C(NCH)(NHN)(SRu)	H(NCN)	119.5064	0.527	5	119.5064	0.278	5	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NRuC)(CNS)(H)	C(NC[6a]H)(NHN)(SRu)	H(NCN)	N(NRuC)(CNS)(H)	C(NC[6a]H)(NHN)(SRu)	H(NCN)	119.6965	0.565	2	119.6965	0.319	2	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NRuC)(CNS)(H)	C(NHH)(NHN)(SRu)	H(NCN)	N(NRuC)(CNS)(H)	C(NHH)(NHN)(SRu)	H(NCN)	117.2610	2.997	2	117.2610	8.980	2	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NSnH)(CNS)(H)	C(NHH)(NHN)(SSn)	H(NCN)	N(NSnH)(CNS)(H)	C(NHH)(NHN)(SSn)	H(NCN)	119.4180	0.000	1	119.4180	0.000	1	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NZnC)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCN)	N(NZnC)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCN)	118.6325	1.817	4	118.6325	3.301	4	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NZnC)(CNS)(H)	C(NHH)(NHN)(SZn)	H(NCN)	N(NZnC)(CNS)(H)	C(NHH)(NHN)(SZn)	H(NCN)	120.4640	0.380	7	120.4640	0.144	7	120.2903	4.447	56	117.4475	10.357	581	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CBrH)(COO)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CBrH)(COO)(NCH)	H(NCC)	119.2900	0.000	1	119.2900	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CCH)(CNO)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CCH)(CNO)(NCH)	H(NCC)	120.2490	0.000	1	120.2490	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CCH)(COO)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CCH)(COO)(NCH)	H(NCC)	116.2090	0.000	1	116.2090	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CC[6a]H)(CNO)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CC[6a]H)(CNO)(NCH)	H(NCC)	118.5344	2.201	16	118.5344	4.844	16	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CC[6a]H)(COO)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CC[6a]H)(COO)(NCH)	H(NCC)	119.4563	0.682	3	119.4563	0.465	3	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CC[6a]O)(COO)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CC[6a]O)(COO)(NCH)	H(NCC)	119.0750	0.000	1	119.0750	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CHH)(CNO)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CHH)(CNO)(NCH)	H(NCC)	113.9980	0.000	1	113.9980	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CHH)(COO)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CHH)(COO)(NCH)	H(NCC)	116.6190	0.000	1	116.6190	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CHO)2(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CHO)2(NCH)	H(NCC)	113.8700	0.000	1	113.8700	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(CHO)(H)	C(CCH)(COO)(NCH)	H(NCC)	N(CCC)(CHO)(H)	C(CCH)(COO)(NCH)	H(NCC)	120.4440	0.000	1	120.4440	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(COO)(H)	C(CCC)(CNO)(NCH)	H(NCC)	N(CCC)(COO)(H)	C(CCC)(CNO)(NCH)	H(NCC)	119.4990	0.000	1	119.4990	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(COO)(H)	C(CCH)(CNO)(NCH)	H(NCC)	N(CCC)(COO)(H)	C(CCH)(CNO)(NCH)	H(NCC)	119.2450	0.000	1	119.2450	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(COO)(H)	C(CC[5a]H)(COO)(NCH)	H(NCC)	N(CCC)(COO)(H)	C(CC[5a]H)(COO)(NCH)	H(NCC)	119.6580	0.000	1	119.6580	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(COO)(H)	C(CC[6a]Br)(COO)(NCH)	H(NCC)	N(CCC)(COO)(H)	C(CC[6a]Br)(COO)(NCH)	H(NCC)	118.1040	0.000	1	118.1040	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCC)(COO)(H)	C(CC[6a]H)(CCO)(NCH)	H(NCC)	N(CCC)(COO)(H)	C(CC[6a]H)(CCO)(NCH)	H(NCC)	122.7385	0.108	2	122.7385	0.012	2	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]O)(CCC)(H)	C(CCC)(COO)(NCH)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(CCC)(COO)(NCH)	H(NCC)	110.6350	0.000	1	110.6350	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]O)(CCC)(H)	C(CC[5]H)(COO)(NCH)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(CC[5]H)(COO)(NCH)	H(NCC)	116.4750	0.000	1	116.4750	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]O)(CCC)(H)	C(CC[5a]H)(CNO)(NCH)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(CC[5a]H)(CNO)(NCH)	H(NCC)	118.5540	2.553	2	118.5540	6.516	2	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]O)(CCC)(H)	C(CC[5a]H)(COO)(NCH)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(CC[5a]H)(COO)(NCH)	H(NCC)	119.3750	0.000	1	119.3750	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]O)(CCC)(H)	C(CC[6a]C)(CN[5]O)(NCH)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(CC[6a]C)(CN[5]O)(NCH)	H(NCC)	117.6180	0.000	1	117.6180	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]O)(CCC)(H)	C(CC[6a]C)(COO)(NCH)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(CC[6a]C)(COO)(NCH)	H(NCC)	116.9897	1.634	3	116.9897	2.670	3	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]O)(CCC)(H)	C(CC[6a]D)(COO)(NCH)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(CC[6a]D)(COO)(NCH)	H(NCC)	117.4220	0.000	1	117.4220	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]O)(CCC)(H)	C(CC[6a]H)(CNO)(NCH)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(CC[6a]H)(CNO)(NCH)	H(NCC)	117.5610	0.000	1	117.5610	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]O)(CCC)(H)	C(CC[6a]H)(COO)(NCH)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(CC[6a]H)(COO)(NCH)	H(NCC)	117.8580	0.000	1	117.8580	0.000	1	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]O)(CCC)(H)	C(CN[5]O)(CHN)(NCH)	H(NCC)	N(CC[6a]O)(CCC)(H)	C(CN[5]O)(CHN)(NCH)	H(NCC)	119.6720	0.355	2	119.6720	0.126	2	118.3196	5.731	47	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(CCO)(H)	C(CC[6a]H)(NCH)(NCS)	H(NCC)	N(CCN)(CCO)(H)	C(CC[6a]H)(NCH)(NCS)	H(NCC)	117.5425	0.770	2	117.5425	0.593	2	115.6741	4.980	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(CCO)(H)	C(CNN)(NCH)(NHH)	H(NCC)	N(CCN)(CCO)(H)	C(CNN)(NCH)(NHH)	H(NCC)	116.2285	1.433	2	116.2285	2.054	2	115.6741	4.980	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(CNO)(H)	C(CCH)(NCH)(NHH)	H(NCC)	N(CCN)(CNO)(H)	C(CCH)(NCH)(NHH)	H(NCC)	115.2250	0.000	1	115.2250	0.000	1	115.6741	4.980	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CCN)(COO)(H)	C(CCC)(NCH)(NHH)	H(NCC)	N(CCN)(COO)(H)	C(CCC)(NCH)(NHH)	H(NCC)	115.6860	0.000	1	115.6860	0.000	1	115.6741	4.980	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CC[6a]O)(CCN)(H)	C(CCH)(NCC)(NCH)	H(NCC)	N(CC[6a]O)(CCN)(H)	C(CCH)(NCC)(NCH)	H(NCC)	111.2660	0.000	1	111.2660	0.000	1	115.6741	4.980	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5]-3:C-3:N-3:	N-3:	N(CC[5]C)(COO)(H)	C(C[5]C[5,6a]C[5])(COO)(NCH)	H(NCC)	N(CC[5]C)(COO)(H)	C(C[5]C[5,6a]C[5])(COO)(NCH)	H(NCC)	117.2050	0.000	1	117.2050	0.000	1	117.2050	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5])(CC[6a]O)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	H(NCC)	N(CC[6a]C[5])(CC[6a]O)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	H(NCC)	112.7350	0.000	1	112.7350	0.000	1	112.7350	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[5a]-3:N-3:	N-3:	N(CC[5a]2)2(H)	C(C[5a]C[5a]N[5a])2(NCH)	H(NCC)	N(CC[5a]2)2(H)	C(C[5a]C[5a]N[5a])2(NCH)	H(NCC)	117.8365	0.030	2	117.8365	0.001	2	117.8365	0.001	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:N-3:	N-3:	N(CC[5a]C[6a])(CCO)(H)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	H(NCC)	N(CC[5a]C[6a])(CCO)(H)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	H(NCC)	119.0200	0.000	1	119.0200	0.000	1	119.0200	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[6])(CCO)(H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(NCH)	H(NCC)	N(CC[6a]C[6])(CCO)(H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(NCH)	H(NCC)	116.9180	0.000	1	116.9180	0.000	1	116.9180	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[5a]O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	N(CC[5a]O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	112.3730	0.000	1	112.3730	0.000	1	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(CHH)(NCH)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(CHH)(NCH)	H(NCC)	121.5380	0.000	1	121.5380	0.000	1	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	118.0470	0.000	1	118.0470	0.000	1	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(NCC)	116.9782	1.313	6	116.9782	1.724	6	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCH)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCH)	H(NCC)	118.1555	0.148	2	118.1555	0.022	2	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCH)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCH)	H(NCC)	118.1145	0.969	2	118.1145	0.940	2	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	H(NCC)	118.1550	0.344	2	118.1550	0.118	2	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	H(NCC)	117.1680	0.820	3	117.1680	0.673	3	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CPdH)(NCH)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CPdH)(NCH)	H(NCC)	116.5320	0.000	1	116.5320	0.000	1	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	116.9800	2.234	3	116.9800	4.990	3	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CHO)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	H(NCC)	N(CC[6a]C)(CHO)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	H(NCC)	116.8790	0.000	1	116.8790	0.000	1	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	N(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	115.5582	1.411	5	115.5582	1.992	5	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	H(NCC)	N(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	H(NCC)	115.4090	0.000	1	115.4090	0.000	1	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CHN)(NCH)	H(NCC)	N(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CHN)(NCH)	H(NCC)	122.4390	0.000	1	122.4390	0.000	1	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CBrC)(NCH)	H(NCC)	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CBrC)(NCH)	H(NCC)	118.5500	0.799	2	118.5500	0.638	2	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(NCC)	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(NCC)	115.3840	0.000	1	115.3840	0.000	1	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CFH)(NCH)	H(NCC)	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CFH)(NCH)	H(NCC)	114.0800	0.824	2	114.0800	0.680	2	116.9947	4.369	35	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:C[6]-3:N-3:	N-3:	N(CC[6a]C[6])(CCO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	H(NCC)	N(CC[6a]C[6])(CCO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	H(NCC)	118.9390	0.445	3	118.9390	0.198	3	118.9390	0.198	3	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NPdC)(NCH)	H(NCC)	N(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NPdC)(NCH)	H(NCC)	111.8820	0.000	1	111.8820	0.000	1	112.9653	2.854	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CNN)(H)	C(C[6a]C[6a]2)(NPtN)(NCH)	H(NCC)	N(CC[6a]N)(CNN)(H)	C(C[6a]C[6a]2)(NPtN)(NCH)	H(NCC)	113.4257	1.113	3	113.4257	1.238	3	112.9653	2.854	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CN[6]N)(H)	C(C[6a]C[6a]2)(NN[6]Pt)(NCH)	H(NCC)	N(CC[6a]N)(CN[6]N)(H)	C(C[6a]C[6a]2)(NN[6]Pt)(NCH)	H(NCC)	112.8660	2.531	3	112.8660	6.404	3	112.9653	2.854	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCO)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	N(CCO)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	117.0735	5.716	2	117.0735	32.667	2	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[5a]O)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	N(CC[5a]O)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	113.8230	0.000	1	113.8230	0.000	1	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[6a]N)(CNN)(H)	C(NPtH)(NCC)(NCH)	H(NCC)	N(CC[6a]N)(CNN)(H)	C(NPtH)(NCC)(NCH)	H(NCC)	117.7153	1.726	3	117.7153	2.977	3	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[6a]O)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	N(CC[6a]O)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	117.4153	1.378	3	117.4153	1.899	3	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[6a]O)(CNN)(H)	C(NCH)2(NHH)	H(NCC)	N(CC[6a]O)(CNN)(H)	C(NCH)2(NHH)	H(NCC)	114.7970	0.000	1	114.7970	0.000	1	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[6a]O)(CNN)(H)	C(NC[6a]H)2(NCH)	H(NCC)	N(CC[6a]O)(CNN)(H)	C(NC[6a]H)2(NCH)	H(NCC)	113.6340	0.000	1	113.6340	0.000	1	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(CNO)(H)	C(NCH)(NHH)2	H(NCC)	N(CNN)(CNO)(H)	C(NCH)(NHH)2	H(NCC)	116.4553	1.761	20	116.4553	3.100	20	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(CNO)(H)	C(NC[6a]H)(NCH)(NHH)	H(NCC)	N(CNN)(CNO)(H)	C(NC[6a]H)(NCH)(NHH)	H(NCC)	116.5660	0.000	1	116.5660	0.000	1	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(CNO)(H)	C(NCuC)(NCH)(NHH)	H(NCC)	N(CNN)(CNO)(H)	C(NCuC)(NCH)(NHH)	H(NCC)	116.2310	0.293	8	116.2310	0.086	8	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(CNO)(H)	C(NCuH)(NCH)(NHH)	H(NCC)	N(CNN)(CNO)(H)	C(NCuH)(NCH)(NHH)	H(NCC)	116.5700	0.000	1	116.5700	0.000	1	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(CNO)(H)	C(NCuH)(NCH)2	H(NCC)	N(CNN)(CNO)(H)	C(NCuH)(NCH)2	H(NCC)	116.8046	2.704	8	116.8046	7.312	8	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(CNS)(H)	C(NCH)(NHH)2	H(NCC)	N(CNN)(CNS)(H)	C(NCH)(NHH)2	H(NCC)	114.1859	2.003	17	114.1859	4.013	17	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(COO)(H)	C(NCH)(NHH)2	H(NCC)	N(CNN)(COO)(H)	C(NCH)(NHH)2	H(NCC)	116.9365	0.490	2	116.9365	0.240	2	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)2(H)	C(NCC)(NCH)(NHH)	H(NCC)	N(CNN)2(H)	C(NCC)(NCH)(NHH)	H(NCC)	116.5764	2.230	8	116.5764	4.973	8	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)2(H)	C(NCH)(NHH)2	H(NCC)	N(CNN)2(H)	C(NCH)(NHH)2	H(NCC)	116.5737	2.032	27	116.5737	4.128	27	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)2(H)	C(NC[6a]H)(NCH)(NHH)	H(NCC)	N(CNN)2(H)	C(NC[6a]H)(NCH)(NHH)	H(NCC)	114.6017	1.463	4	114.6017	2.142	4	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)2(H)	C(NCoH)(NCC)(NCH)	H(NCC)	N(CNN)2(H)	C(NCoH)(NCC)(NCH)	H(NCC)	117.3130	0.000	1	117.3130	0.000	1	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)2(H)	C(NCoH)(NCH)(NHH)	H(NCC)	N(CNN)2(H)	C(NCoH)(NCH)(NHH)	H(NCC)	117.6890	0.485	2	117.6890	0.235	2	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)2(H)	C(NCuH)(NCC)(NCH)	H(NCC)	N(CNN)2(H)	C(NCuH)(NCC)(NCH)	H(NCC)	118.5235	3.181	2	118.5235	10.121	2	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)2(H)	C(NCuH)(NCH)(NHH)	H(NCC)	N(CNN)2(H)	C(NCuH)(NCH)(NHH)	H(NCC)	114.8835	1.893	2	114.8835	3.583	2	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)2(H)	C(NMnH)(NCH)(NHH)	H(NCC)	N(CNN)2(H)	C(NMnH)(NCH)(NHH)	H(NCC)	117.4882	0.526	6	117.4882	0.277	6	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)2(H)	C(NNiH)(NCC)(NCH)	H(NCC)	N(CNN)2(H)	C(NNiH)(NCC)(NCH)	H(NCC)	122.0390	0.000	1	122.0390	0.000	1	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)2(H)	C(NNiH)(NCH)(NHH)	H(NCC)	N(CNN)2(H)	C(NNiH)(NCH)(NHH)	H(NCC)	112.1890	0.000	1	112.1890	0.000	1	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CN[6]N)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	N(CN[6]N)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	118.2040	0.000	1	118.2040	0.000	1	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CN[6]N)(CNN)(H)	C(NPtH)(NCH)(NHH)	H(NCC)	N(CN[6]N)(CNN)(H)	C(NPtH)(NCH)(NHH)	H(NCC)	112.9550	0.000	1	112.9550	0.000	1	116.2232	4.819	124	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[6]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CN[6]N)(H)	C(N[6]C[6]2)(NPtH)(NCH)	H(NCC)	N(CC[6a]N)(CN[6]N)(H)	C(N[6]C[6]2)(NPtH)(NCH)	H(NCC)	116.7987	1.179	3	116.7987	1.390	3	116.6216	2.172	5	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[6]-3:N-3:N-3:	N-3:	N(CN[6]N)(CNN)(H)	C(N[6]C[6]2)(NCH)(NHH)	H(NCC)	N(CN[6]N)(CNN)(H)	C(N[6]C[6]2)(NCH)(NHH)	H(NCC)	114.6720	0.000	1	114.6720	0.000	1	116.6216	2.172	5	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:C-3:H-1:	N[6]-3:N-3:N-3:	N-3:	N(CN[6]N)(CNN)(H)	C(N[6]C[6]2)(NPtH)(NCH)	H(NCC)	N(CN[6]N)(CNN)(H)	C(N[6]C[6]2)(NPtH)(NCH)	H(NCC)	118.0400	0.000	1	118.0400	0.000	1	116.6216	2.172	5	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[5]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5])(NCC)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHN)	H(NCN)	N(CC[6a]C[5])(NCC)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHN)	H(NCN)	119.1090	1.505	2	119.1090	2.264	2	119.1090	2.264	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(NMnC)(H)	C(C[6]C[6]N[6])(NMn2)(NHN)	H(NCN)	N(CC[6]N)(NMnC)(H)	C(C[6]C[6]N[6])(NMn2)(NHN)	H(NCN)	124.8773	0.342	3	124.8773	0.117	3	124.8773	0.117	3	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C[5]-3:N-3:	N-3:	N(CC[6a]C[5])(NCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	H(NCN)	N(CC[6a]C[5])(NCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	H(NCN)	118.8295	0.234	2	118.8295	0.055	2	118.4237	0.521	3	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C[5]-3:N-3:	N-3:	N(CC[6a]C[5])(NC[6a]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	H(NCN)	N(CC[6a]C[5])(NC[6a]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	H(NCN)	117.6120	0.000	1	117.6120	0.000	1	118.4237	0.521	3	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]2)(NPV)(H)	C(C[6a]C[6a]2)2(NHN)	H(NCN)	N(CC[6a]2)(NPV)(H)	C(C[6a]C[6a]2)2(NHN)	H(NCN)	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	H(NCN)	N(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	H(NCN)	119.6270	0.000	1	119.6270	0.000	1	120.7440	2.495	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	H(NCN)	N(CC[6a]N)(NHH)(H)	C(C[6a]C[6a]N[6a])(NHH)(NHN)	H(NCN)	121.8610	0.000	1	121.8610	0.000	1	120.7440	2.495	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NCH)(H)	C(NHH)2(NHN)	H(NCN)	N(CNN)(NCH)(H)	C(NHH)2(NHN)	H(NCN)	118.3906	1.014	5	118.3906	1.028	5	119.5488	5.600	156	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NHH)(H)	C(NHH)(NHN)2	H(NCN)	N(CNN)(NHH)(H)	C(NHH)(NHN)2	H(NCN)	119.9882	1.941	49	119.9882	3.767	49	119.5488	5.600	156	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NHH)(H)	C(NHH)2(NHN)	H(NCN)	N(CNN)(NHH)(H)	C(NHH)2(NHN)	H(NCN)	119.3950	2.003	46	119.3950	4.013	46	119.5488	5.600	156	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NHH)(H)	C(NHN)3	H(NCN)	N(CNN)(NHH)(H)	C(NHN)3	H(NCN)	119.4058	2.992	55	119.4058	8.954	55	119.5488	5.600	156	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NHH)(H)	C(NOsH)(NHH)(NHN)	H(NCN)	N(CNN)(NHH)(H)	C(NOsH)(NHH)(NHN)	H(NCN)	118.7510	0.000	1	118.7510	0.000	1	119.5488	5.600	156	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	S-3:N-3:N-3:	N-3:	N(CNS)(NHH)(H)	C(SCu2)(NHH)(NHN)	H(NCN)	N(CNS)(NHH)(H)	C(SCu2)(NHH)(NHN)	H(NCN)	119.6660	0.000	1	119.6660	0.000	1	119.6660	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:O-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(OZn2)(H)	C(C[6a]C[6a]2)(NHH)(NHO)	H(NCO)	N(CC[6a]N)(OZn2)(H)	C(C[6a]C[6a]2)(NHH)(NHO)	H(NCO)	119.9825	0.187	2	119.9825	0.035	2	119.9825	0.035	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[5]N[5]2)(CNN)(H)	C(NC[5]H)(NCoH)(NHH)	H(NC[5]C)	N(C[5]N[5]2)(CNN)(H)	C(NC[5]H)(NCoH)(NHH)	H(NC[5]C)	116.1550	0.000	1	116.1550	0.000	1	116.8032	0.338	4	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[5]N[5]2)(CNN)(H)	C(NC[5]H)(NCuH)(NHH)	H(NC[5]C)	N(C[5]N[5]2)(CNN)(H)	C(NC[5]H)(NCuH)(NHH)	H(NC[5]C)	116.9690	0.000	1	116.9690	0.000	1	116.8032	0.338	4	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[5]N[5]2)(CNN)(H)	C(NC[5]H)(NRuH)(NHH)	H(NC[5]C)	N(C[5]N[5]2)(CNN)(H)	C(NC[5]H)(NRuH)(NHH)	H(NC[5]C)	116.5700	0.000	1	116.5700	0.000	1	116.8032	0.338	4	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[5]N[5]S[5])(CNN)(H)	C(NC[5]H)(NRuH)(NHH)	H(NC[5]C)	N(C[5]N[5]S[5])(CNN)(H)	C(NC[5]H)(NRuH)(NHH)	H(NC[5]C)	117.5190	0.000	1	117.5190	0.000	1	116.8032	0.338	4	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	H(NC[5a]C)	118.4090	0.000	1	118.4090	0.000	1	118.4090	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:	N(C[5a]C[5a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	H(NC[5a]C)	N(C[5a]C[5a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	H(NC[5a]C)	118.5850	0.000	1	118.5850	0.000	1	114.4450	12.913	3	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCC)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCC)	H(NC[5a]C)	112.1340	0.000	1	112.1340	0.000	1	114.4450	12.913	3	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CHH)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CHH)	H(NC[5a]C)	112.6160	0.000	1	112.6160	0.000	1	114.4450	12.913	3	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[5a]N[5a]2)(CNN)(H)	C(NC[5a]H)(NHH)2	H(NC[5a]C)	N(C[5a]N[5a]2)(CNN)(H)	C(NC[5a]H)(NHH)2	H(NC[5a]C)	119.0135	1.494	2	119.0135	2.232	2	117.3488	3.181	6	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[5a]N[5a]O[5a])(CNN)(H)	C(NC[5a]H)(NHH)2	H(NC[5a]C)	N(C[5a]N[5a]O[5a])(CNN)(H)	C(NC[5a]H)(NHH)2	H(NC[5a]C)	115.6190	0.000	1	115.6190	0.000	1	117.3488	3.181	6	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[5a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(CNN)(H)	C(NC[5a]H)(NHH)2	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CNN)(H)	C(NC[5a]H)(NHH)2	H(NC[5a]C)	116.8157	1.464	3	116.8157	2.143	3	117.3488	3.181	6	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6]Zn)(NC[6]H)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6]Zn)(NC[6]H)	H(NC[6]C)	114.3380	0.000	1	114.3380	0.000	1	114.3380	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6]C[6]2)(CNN)(H)	C(NC[6]H)(NHH)2	H(NC[6]C)	N(C[6]C[6]2)(CNN)(H)	C(NC[6]H)(NHH)2	H(NC[6]C)	118.5130	0.000	1	118.5130	0.000	1	117.5450	1.874	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6]C[6]2)(CNN)(H)	C(NC[6a]Pd)(NC[6a]H)(NC[6]H)	H(NC[6]C)	N(C[6]C[6]2)(CNN)(H)	C(NC[6a]Pd)(NC[6a]H)(NC[6]H)	H(NC[6]C)	116.5770	0.000	1	116.5770	0.000	1	117.5450	1.874	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(NC[6a]H)(COO)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(NC[6a]H)(COO)	H(NC[6a]C)	114.5155	1.316	2	114.5155	1.732	2	115.1951	2.179	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]O)(NC[6a]H)(CCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]O)(NC[6a]H)(CCH)	H(NC[6a]C)	114.3330	2.319	2	114.3330	5.379	2	115.1951	2.179	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:C-3:	N-3:	N(C[6a]C[6a]N[6a])(CCC)(H)	C(CC[6a]O)(NC[6a]H)(CCC)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCC)(H)	C(CC[6a]O)(NC[6a]H)(CCC)	H(NC[6a]C)	116.2230	0.436	3	116.2230	0.191	3	115.1951	2.179	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]C)(NC[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]C)(NC[6a]H)(NCH)	H(NC[6a]C)	116.7730	0.000	1	116.7730	0.000	1	116.7730	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NC[6a]H)	H(NC[6a]C)	112.4715	5.297	2	112.4715	28.058	2	112.4715	28.058	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:C-3:	N-3:	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5,6a]N[5])(NC[6a]H)(CPdN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5,6a]N[5])(NC[6a]H)(CPdN)	H(NC[6a]C)	117.1470	0.000	1	117.1470	0.000	1	117.1470	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a]C)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a]C)(NC[6a]H)	H(NC[6a]C)	111.8260	0.000	1	111.8260	0.000	1	111.8260	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C[5]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5a]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5a]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	H(NC[6a]C)	111.1110	0.000	1	111.1110	0.000	1	113.4665	11.097	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	H(NC[6a]C)	115.8220	0.000	1	115.8220	0.000	1	113.4665	11.097	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]C[6])(H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]C[6])(H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(NC[6a]H)	H(NC[6a]C)	115.6140	0.000	1	115.6140	0.000	1	115.6140	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[5a]-3:N[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]H)	H(NC[6a]C)	114.5390	0.000	1	114.5390	0.000	1	114.5390	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]H)(NCC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]H)(NCC)	H(NC[6a]C)	120.6130	0.000	1	120.6130	0.000	1	116.5250	7.555	4	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]H)2	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]H)2	H(NC[6a]C)	115.2960	0.526	2	115.2960	0.277	2	116.5250	7.555	4	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]Zr)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]Zr)(NC[6a]H)	H(NC[6a]C)	114.8950	0.000	1	114.8950	0.000	1	116.5250	7.555	4	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	H(NC[6a]C)	117.5930	0.000	1	117.5930	0.000	1	117.5930	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[5]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	H(NC[6a]C)	115.4100	0.399	2	115.4100	0.159	2	114.3434	5.000	28	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	H(NC[6a]C)	114.2613	2.301	26	114.2613	5.295	26	114.3434	5.000	28	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	H(NC[6a]C)	113.5065	0.623	2	113.5065	0.388	2	113.5065	0.388	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	H(NC[6a]C)	115.0944	2.358	13	115.0944	5.559	13	114.6398	5.748	17	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	H(NC[6a]C)	115.4890	0.000	1	115.4890	0.000	1	114.6398	5.748	17	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	H(NC[6a]C)	112.3870	1.819	3	112.3870	3.311	3	114.6398	5.748	17	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Cu)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Cu)(NC[6a]H)	H(NC[6a]C)	116.5575	2.788	2	116.5575	7.774	2	116.8306	2.015	20	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NAl2)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NAl2)	H(NC[6a]C)	116.6540	0.000	1	116.6540	0.000	1	116.8306	2.015	20	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NAlH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NAlH)	H(NC[6a]C)	117.7780	0.020	2	117.7780	0.000	2	116.8306	2.015	20	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	H(NC[6a]C)	117.9810	0.000	1	117.9810	0.000	1	116.8306	2.015	20	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NPdC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NPdC)	H(NC[6a]C)	116.1930	0.328	3	116.1930	0.107	3	116.8306	2.015	20	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NPdH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NPdH)	H(NC[6a]C)	113.8050	0.000	1	113.8050	0.000	1	116.8306	2.015	20	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)2	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)2	H(NC[6a]C)	117.2754	1.537	7	117.2754	2.362	7	116.8306	2.015	20	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Pd)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Pd)(NC[6a]H)	H(NC[6a]C)	116.2615	0.077	2	116.2615	0.006	2	116.8306	2.015	20	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	H(NC[6a]C)	117.4720	0.000	1	117.4720	0.000	1	116.8306	2.015	20	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:P-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a]W)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a]W)	H(NC[6a]C)	124.0780	0.000	1	124.0780	0.000	1	124.0780	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:P-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]Cr)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]Cr)(NC[6a]H)	H(NC[6a]C)	114.0510	0.000	1	114.0510	0.000	1	114.9455	1.600	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:P-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]Mo)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]Mo)(NC[6a]H)	H(NC[6a]C)	115.8400	0.000	1	115.8400	0.000	1	114.9455	1.600	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(CCN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(CCN)	H(NC[6a]C)	108.5840	0.000	1	108.5840	0.000	1	113.9377	8.010	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(CCO)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(CCO)	H(NC[6a]C)	115.0797	0.672	3	115.0797	0.452	3	113.9377	8.010	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(COO)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(COO)	H(NC[6a]C)	114.5803	2.583	3	114.5803	6.671	3	113.9377	8.010	7	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CNN)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CNN)(NCH)	H(NC[6a]C)	116.7700	1.116	2	116.7700	1.245	2	116.7700	1.245	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:C-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]C)(NC[6a]H)(CCN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]C)(NC[6a]H)(CCN)	H(NC[6a]C)	124.5270	0.000	1	124.5270	0.000	1	116.5807	39.939	4	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:C-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NNiO)(CCN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NNiO)(CCN)	H(NC[6a]C)	112.0040	3.650	2	112.0040	13.323	2	116.5807	39.939	4	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:C-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NNiO)(CHN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NNiO)(CHN)	H(NC[6a]C)	117.7880	0.000	1	117.7880	0.000	1	116.5807	39.939	4	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(CNN)(H)	C(NC[6a]H)(NHH)2	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CNN)(H)	C(NC[6a]H)(NHH)2	H(NC[6a]C)	117.8180	0.000	1	117.8180	0.000	1	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C(NC[6a]H)(NHH)2	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C(NC[6a]H)(NHH)2	H(NC[6a]C)	117.2790	0.000	1	117.2790	0.000	1	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C(NC[6a]H)3	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C(NC[6a]H)3	H(NC[6a]C)	117.7810	0.000	1	117.7810	0.000	1	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCC)2	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCC)2	H(NC[6a]C)	116.7800	1.468	2	116.7800	2.155	2	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCH)(NHH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCH)(NHH)	H(NC[6a]C)	119.0216	2.097	5	119.0216	4.396	5	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCH)2	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NCH)2	H(NC[6a]C)	116.8268	1.963	13	116.8268	3.853	13	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6]H)2	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6]H)2	H(NC[6a]C)	117.2515	1.265	2	117.2515	1.600	2	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NHH)2	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NHH)2	H(NC[6a]C)	115.8219	4.488	7	115.8219	20.144	7	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NCH)	H(NC[6a]C)	113.1545	2.823	2	113.1545	7.972	2	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NHH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NHH)	H(NC[6a]C)	116.6961	1.288	20	116.6961	1.659	20	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NOsC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NOsC)	H(NC[6a]C)	115.5678	5.917	4	115.5678	35.016	4	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)3	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)3	H(NC[6a]C)	116.6612	0.956	20	116.6612	0.914	20	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pd)(NC[6a]H)(NC[6]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pd)(NC[6a]H)(NC[6]H)	H(NC[6a]C)	117.7600	0.000	1	117.7600	0.000	1	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pd)(NC[6a]H)2	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pd)(NC[6a]H)2	H(NC[6a]C)	117.1894	1.044	65	117.1894	1.091	65	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pd)2(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pd)2(NC[6a]H)	H(NC[6a]C)	115.6710	0.000	1	115.6710	0.000	1	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pt)(NC[6a]H)2	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pt)(NC[6a]H)2	H(NC[6a]C)	115.6661	3.214	22	115.6661	10.332	22	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNN)(H)	C(NC[6a]H)(NHH)2	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNN)(H)	C(NC[6a]H)(NHH)2	H(NC[6a]C)	115.5137	0.199	3	115.5137	0.040	3	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CNN)(H)	C(NC[6a]H)2(NHH)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CNN)(H)	C(NC[6a]H)2(NHH)	H(NC[6a]C)	116.2111	0.407	8	116.2111	0.166	8	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6a]N[6a]2)(CNN)(H)	C(NC[6a]H)(NHH)2	H(NC[6a]C)	N(C[6a]N[6a]2)(CNN)(H)	C(NC[6a]H)(NHH)2	H(NC[6a]C)	116.3370	0.000	1	116.3370	0.000	1	116.6997	4.225	179	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-3:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(SCu2)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(SCu2)	H(NC[6a]C)	117.3007	1.109	4	117.3007	1.230	4	117.3007	1.230	4	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(NC[5]H)(CNN)(H)	C(NHH)2(NHN)	H(NCN)	N(NC[5]H)(CNN)(H)	C(NHH)2(NHN)	H(NCN)	120.6660	0.000	1	120.6660	0.000	1	122.5710	7.258	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(NNiH)(CNN)(H)	C(NNiN)(NHH)(NHN)	H(NCN)	N(NNiH)(CNN)(H)	C(NNiN)(NHH)(NHN)	H(NCN)	124.4760	0.000	1	124.4760	0.000	1	122.5710	7.258	2	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	S-3:N-3:N-3:	N-3:	N(NRuC)(CNS)(H)	C(SRu2)(NCH)(NHN)	H(NCN)	N(NRuC)(CNS)(H)	C(SRu2)(NCH)(NHN)	H(NCN)	121.8115	0.395	2	121.8115	0.156	2	121.4877	0.393	3	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	N-3:C-3:H-1:	S-3:N-3:N-3:	N-3:	N(NZnC)(CNS)(H)	C(SZn2)(NHH)(NHN)	H(NCN)	N(NZnC)(CNS)(H)	C(SZn2)(NHH)(NHN)	H(NCN)	120.8400	0.000	1	120.8400	0.000	1	121.4877	0.393	3	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	N[5a]-3:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(N[5a]C[5a]2)(CNN)(H)	C(NN[5a]H)(NHH)2	H(NN[5a]C)	N(N[5a]C[5a]2)(CNN)(H)	C(NN[5a]H)(NHH)2	H(NN[5a]C)	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	117.2334	7.818	714	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[5a]-3:C-3:H-1:	C[5]-3:N-3:C-4:	N-3:	N(C[5a]C[5a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[5a]H)(CH3)	H(NC[5a]C)	N(C[5a]C[5a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[5a]H)(CH3)	H(NC[5a]C)	113.5730	0.000	1	113.5730	0.000	1	114.1813	0.472	3	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[5a]-3:C-3:H-1:	C[5]-3:N-3:C-4:	N-3:	N(C[5a]C[5a]N[5a])(CC[5]C)(H)	C(C[5]C[5]2)(NC[5a]H)(CH3)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CC[5]C)(H)	C(C[5]C[5]2)(NC[5a]H)(CH3)	H(NC[5a]C)	114.4855	0.623	2	114.4855	0.388	2	114.1813	0.472	3	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6]-3:C-3:H-1:	N-3:N-3:C-4:	N-3:	N(C[6]C[6]N[6])(CCN)(H)	C(NC[6]H)(NReH)(CH3)	H(NC[6]C)	N(C[6]C[6]N[6])(CCN)(H)	C(NC[6]H)(NReH)(CH3)	H(NC[6]C)	113.3250	0.000	1	113.3250	0.000	1	116.1720	16.211	2	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6]-3:C-3:H-1:	N-3:N-3:C-4:	N-3:	N(C[6]N[6]2)(CCN)(H)	C(NC[6]H)(NPdH)(CH3)	H(NC[6]C)	N(C[6]N[6]2)(CCN)(H)	C(NC[6]H)(NPdH)(CH3)	H(NC[6]C)	119.0190	0.000	1	119.0190	0.000	1	116.1720	16.211	2	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[6a]H)(CCHH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[6a]H)(CCHH)	H(NC[6a]C)	114.4910	1.975	3	114.4910	3.902	3	114.6446	2.904	8	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[6a]H)(CF3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[6a]H)(CF3)	H(NC[6a]C)	117.2900	0.000	1	117.2900	0.000	1	114.6446	2.904	8	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[5]-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[6a]H)(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[6a]H)(CH3)	H(NC[6a]C)	114.0985	1.192	4	114.0985	1.420	4	114.6446	2.904	8	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6,6]N[6])(NC[6a]H)(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6,6]N[6])(NC[6a]H)(CH3)	H(NC[6a]C)	119.4570	0.000	1	119.4570	0.000	1	112.8375	7.755	13	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(CH3)	H(NC[6a]C)	108.9000	0.000	1	108.9000	0.000	1	112.8375	7.755	13	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(CCHH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(CCHH)	H(NC[6a]C)	114.6700	0.000	1	114.6700	0.000	1	112.8375	7.755	13	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(CH3)	H(NC[6a]C)	112.3861	1.775	10	112.3861	3.149	10	112.8375	7.755	13	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)	H(NC[6a]C)	113.2570	0.000	1	113.2570	0.000	1	114.0735	1.333	2	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	H(NC[6a]C)	114.8900	0.000	1	114.8900	0.000	1	114.0735	1.333	2	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]B)(NC[6a]H)(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]B)(NC[6a]H)(CH3)	H(NC[6a]C)	121.6440	0.000	1	121.6440	0.000	1	116.1636	13.270	8	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NReH)(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NReH)(CH3)	H(NC[6a]C)	116.1570	0.000	1	116.1570	0.000	1	116.1636	13.270	8	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NRhH)(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NRhH)(CH3)	H(NC[6a]C)	117.0590	0.000	1	117.0590	0.000	1	116.1636	13.270	8	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)2(CC3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)2(CC3)	H(NC[6a]C)	115.7258	3.650	4	115.7258	13.321	4	116.1636	13.270	8	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:3:4:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:C-4:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]Mo)(NC[6a]H)(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]Mo)(NC[6a]H)(CH3)	H(NC[6a]C)	111.5460	0.000	1	111.5460	0.000	1	116.1636	13.270	8	114.3441	8.240	36	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5,5]C[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5,5]C[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	117.8370	0.000	1	117.8370	0.000	1	118.7365	4.437	27	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5]2)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	118.4330	0.959	3	118.4330	0.920	3	118.7365	4.437	27	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]N[5])(CCO)(H)	C(NC[5]H)(CCHS)(O)	H(NC[5]C)	N(C[5]C[5]N[5])(CCO)(H)	C(NC[5]H)(CCHS)(O)	H(NC[5]C)	114.7850	0.000	1	114.7850	0.000	1	118.7365	4.437	27	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]N[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5]N[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	119.4675	4.192	2	119.4675	17.577	2	118.7365	4.437	27	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]N[5]S[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]N[5]S[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	118.9515	2.017	20	118.9515	4.066	20	118.7365	4.437	27	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CCCH)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CCCH)(O)	H(NC[5a]C)	117.1150	0.141	2	117.1150	0.020	2	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CCHH)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CCHH)(O)	H(NC[5a]C)	117.7563	1.383	3	117.7563	1.911	3	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	117.0014	0.664	5	117.0014	0.441	5	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CHHN)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CHHN)(O)	H(NC[5a]C)	116.0830	0.000	1	116.0830	0.000	1	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CHHO)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CHHO)(O)	H(NC[5a]C)	120.4783	2.766	3	120.4783	7.648	3	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CC3)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CC3)(O)	H(NC[5a]C)	120.3923	3.712	3	120.3923	13.776	3	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CCHH)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CCHH)(O)	H(NC[5a]C)	116.6130	0.253	2	116.6130	0.064	2	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CCHN)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CCHN)(O)	H(NC[5a]C)	117.2550	0.000	1	117.2550	0.000	1	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CClHH)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CClHH)(O)	H(NC[5a]C)	117.9612	1.019	5	117.9612	1.037	5	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	119.3115	0.831	4	119.3115	0.690	4	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CHHO)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CHHO)(O)	H(NC[5a]C)	118.7140	0.000	1	118.7140	0.000	1	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CHHS)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CHHS)(O)	H(NC[5a]C)	119.9750	0.000	1	119.9750	0.000	1	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]O[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	N(C[5a]C[5a]O[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	117.8440	0.000	1	117.8440	0.000	1	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	119.0038	2.760	5	119.0038	7.616	5	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHN)(O)	H(NC[5a]C)	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHN)(O)	H(NC[5a]C)	118.3780	1.008	4	118.3780	1.016	4	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	N(C[5a]N[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	120.7370	0.000	1	120.7370	0.000	1	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]2)(CCO)(H)	C(NC[5a]H)(CCCH)(O)	H(NC[5a]C)	N(C[5a]N[5a]2)(CCO)(H)	C(NC[5a]H)(CCCH)(O)	H(NC[5a]C)	118.6050	0.000	1	118.6050	0.000	1	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]2)(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	N(C[5a]N[5a]2)(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	118.8937	1.111	3	118.8937	1.234	3	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CC3)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CC3)(O)	H(NC[5a]C)	117.4060	0.000	1	117.4060	0.000	1	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCCO)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCCO)(O)	H(NC[5a]C)	118.7007	2.130	9	118.7007	4.537	9	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHH)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHH)(O)	H(NC[5a]C)	118.9805	1.579	11	118.9805	2.493	11	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHN)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHN)(O)	H(NC[5a]C)	117.6260	0.653	3	117.6260	0.426	3	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHO)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHO)(O)	H(NC[5a]C)	116.5910	0.000	1	116.5910	0.000	1	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CClHH)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CClHH)(O)	H(NC[5a]C)	119.4550	3.300	3	119.4550	10.893	3	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	H(NC[5a]C)	119.5200	2.353	50	119.5200	5.535	50	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHN)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHN)(O)	H(NC[5a]C)	118.5810	0.000	1	118.5810	0.000	1	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHO)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHO)(O)	H(NC[5a]C)	117.5185	0.190	2	117.5185	0.036	2	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHS)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHS)(O)	H(NC[5a]C)	123.5220	0.000	1	123.5220	0.000	1	118.9476	4.562	128	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:S-1:	N-3:	N(C[5a]N[5a]2)(CCS)(H)	C(NC[5a]H)(CCHH)(S)	H(NC[5a]C)	N(C[5a]N[5a]2)(CCS)(H)	C(NC[5a]H)(CCHH)(S)	H(NC[5a]C)	120.0530	0.000	1	120.0530	0.000	1	120.0530	0.000	1	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:H-1:	N-3:	N(C[6]C[6]N[6])(CCH)(H)	C(NC[6]H)(CC3)(H)	H(NC[6]C)	N(C[6]C[6]N[6])(CCH)(H)	C(NC[6]H)(CC3)(H)	H(NC[6]C)	115.2900	0.000	1	115.2900	0.000	1	115.2900	0.000	1	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6,6a]C[6])(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6,6a]C[6])(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	119.5820	0.891	2	119.5820	0.794	2	117.9275	20.543	43	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCCH)(O)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCCH)(O)	H(NC[6]C)	114.9650	0.000	1	114.9650	0.000	1	117.9275	20.543	43	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCHH)(O)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCHH)(O)	H(NC[6]C)	115.6950	0.412	6	115.6950	0.170	6	117.9275	20.543	43	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	119.4336	8.371	11	119.4336	70.067	11	117.9275	20.543	43	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CHHS)(O)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CHHS)(O)	H(NC[6]C)	115.3580	0.000	1	115.3580	0.000	1	117.9275	20.543	43	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(O)	H(NC[6]C)	117.6057	1.708	12	117.6057	2.918	12	117.9275	20.543	43	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CCHH)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CCHH)(O)	H(NC[6]C)	120.2460	0.000	1	120.2460	0.000	1	117.9275	20.543	43	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	117.0923	2.228	4	117.0923	4.965	4	117.9275	20.543	43	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]N[6]2)(CCO)(H)	C(NC[6]H)(CC3)(O)	H(NC[6]C)	N(C[6]N[6]2)(CCO)(H)	C(NC[6]H)(CC3)(O)	H(NC[6]C)	122.0090	0.000	1	122.0090	0.000	1	117.9275	20.543	43	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]N[6]2)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]N[6]2)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	120.6870	0.000	1	120.6870	0.000	1	117.9275	20.543	43	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]N[6]S[6])(CCO)(H)	C(NC[6]H)(CCHN)(O)	H(NC[6]C)	N(C[6]N[6]S[6])(CCO)(H)	C(NC[6]H)(CCHN)(O)	H(NC[6]C)	116.9593	0.804	3	116.9593	0.647	3	117.9275	20.543	43	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:H-1:	N-3:	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CH3)(H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CH3)(H)	H(NC[6a]C)	119.4550	0.000	1	119.4550	0.000	1	119.4550	0.000	1	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:N-1:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCl3)(N)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCl3)(N)	H(NC[6a]C)	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	115.7152	0.837	5	115.7152	0.701	5	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	109.0390	6.743	3	109.0390	45.466	3	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CF3)(O)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CF3)(O)	H(NC[6a]C)	119.9740	3.241	2	119.9740	10.507	2	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	116.5085	1.251	6	116.5085	1.566	6	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CC3)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CC3)(O)	H(NC[6a]C)	115.9499	0.827	7	115.9499	0.683	7	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	H(NC[6a]C)	116.9351	1.275	7	116.9351	1.625	7	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	H(NC[6a]C)	116.5768	1.684	26	116.5768	2.835	26	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHN)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHN)(O)	H(NC[6a]C)	115.2120	0.502	2	115.2120	0.252	2	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHO)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHO)(O)	H(NC[6a]C)	117.2071	1.138	18	117.2071	1.295	18	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	117.5455	1.444	10	117.5455	2.084	10	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHN)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHN)(O)	H(NC[6a]C)	115.4970	0.484	3	115.4970	0.234	3	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHO)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHO)(O)	H(NC[6a]C)	116.9098	1.891	4	116.9098	3.577	4	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHS)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHS)(O)	H(NC[6a]C)	116.0670	0.916	3	116.0670	0.839	3	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBr2H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBr2H)(O)	H(NC[6a]C)	117.6120	0.000	1	117.6120	0.000	1	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBr3)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBr3)(O)	H(NC[6a]C)	117.6087	0.814	11	117.6087	0.663	11	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrCC)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrCC)(O)	H(NC[6a]C)	118.5392	2.508	5	118.5392	6.292	5	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrCH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrCH)(O)	H(NC[6a]C)	117.5850	0.000	1	117.5850	0.000	1	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrHH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrHH)(O)	H(NC[6a]C)	115.7935	0.243	2	115.7935	0.059	2	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(O)	H(NC[6a]C)	117.1810	2.349	61	117.1810	5.520	61	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCF)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCF)(O)	H(NC[6a]C)	118.5520	0.000	1	118.5520	0.000	1	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	H(NC[6a]C)	116.8442	1.502	27	116.8442	2.257	27	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCN)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCN)(O)	H(NC[6a]C)	116.5992	2.989	23	116.5992	8.936	23	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCO)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCO)(O)	H(NC[6a]C)	114.4296	1.904	5	114.4296	3.625	5	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCFF)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCFF)(O)	H(NC[6a]C)	116.5390	0.153	5	116.5390	0.023	5	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCFH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCFH)(O)	H(NC[6a]C)	117.0390	0.000	1	117.0390	0.000	1	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	H(NC[6a]C)	116.3932	1.603	215	116.3932	2.571	215	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	H(NC[6a]C)	116.6063	1.752	58	116.6063	3.070	58	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	H(NC[6a]C)	114.5514	2.003	17	114.5514	4.011	17	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHP)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHP)(O)	H(NC[6a]C)	116.4143	2.445	3	116.4143	5.977	3	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCl2H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCl2H)(O)	H(NC[6a]C)	117.7431	0.683	7	117.7431	0.467	7	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCl3)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCl3)(O)	H(NC[6a]C)	117.2655	0.828	4	117.2655	0.686	4	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CClCH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CClCH)(O)	H(NC[6a]C)	115.7760	0.344	2	115.7760	0.118	2	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CClHH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CClHH)(O)	H(NC[6a]C)	116.0129	1.512	30	116.0129	2.285	30	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CF3)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CF3)(O)	H(NC[6a]C)	118.3440	2.654	24	118.3440	7.045	24	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CFFH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CFFH)(O)	H(NC[6a]C)	116.9050	0.212	3	116.9050	0.045	3	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CFHH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CFHH)(O)	H(NC[6a]C)	115.8700	0.293	2	115.8700	0.086	2	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	116.6643	1.917	463	116.6643	3.674	463	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHI)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHI)(O)	H(NC[6a]C)	113.8170	0.000	1	113.8170	0.000	1	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	H(NC[6a]C)	116.1670	2.131	44	116.1670	4.539	44	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHO)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHO)(O)	H(NC[6a]C)	116.2743	1.792	52	116.2743	3.210	52	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHP)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHP)(O)	H(NC[6a]C)	119.0393	0.702	3	119.0393	0.492	3	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHS)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHS)(O)	H(NC[6a]C)	116.2707	1.505	35	116.2707	2.266	35	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CTeHH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CTeHH)(O)	H(NC[6a]C)	115.1795	0.333	2	115.1795	0.111	2	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CC3)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CC3)(O)	H(NC[6a]C)	117.4354	2.459	20	117.4354	6.047	20	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	H(NC[6a]C)	114.5970	2.932	2	114.5970	8.595	2	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	H(NC[6a]C)	116.1390	1.591	31	116.1390	2.531	31	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHN)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHN)(O)	H(NC[6a]C)	116.3540	0.764	4	116.3540	0.583	4	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHO)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHO)(O)	H(NC[6a]C)	116.1365	0.149	2	116.1365	0.022	2	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CClHH)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CClHH)(O)	H(NC[6a]C)	115.1008	0.791	5	115.1008	0.626	5	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CF3)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CF3)(O)	H(NC[6a]C)	120.4540	1.975	4	120.4540	3.899	4	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	116.6168	1.666	52	116.6168	2.776	52	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CHHO)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CHHO)(O)	H(NC[6a]C)	116.0828	0.392	11	116.0828	0.154	11	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CHHS)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CHHS)(O)	H(NC[6a]C)	115.9873	0.865	4	115.9873	0.748	4	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(O)	H(NC[6a]C)	118.1102	2.597	6	118.1102	6.742	6	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	H(NC[6a]C)	116.3063	4.770	3	116.3063	22.752	3	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	H(NC[6a]C)	114.3620	0.000	1	114.3620	0.000	1	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	H(NC[6a]C)	115.0210	0.000	1	115.0210	0.000	1	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	117.6003	1.868	3	117.6003	3.489	3	116.5899	3.820	1353	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:S-1:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	C(NC[6a]H)(CCHH)(S)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	C(NC[6a]H)(CCHH)(S)	H(NC[6a]C)	117.9695	0.139	2	117.9695	0.019	2	116.5814	2.194	9	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:S-1:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCHH)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCHH)(S)	H(NC[6a]C)	118.3680	0.000	1	118.3680	0.000	1	116.5814	2.194	9	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:S-1:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CH3)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CH3)(S)	H(NC[6a]C)	115.8210	1.184	6	115.8210	1.403	6	116.5814	2.194	9	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	N[5]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(N[5]C[5,6]C[5])(CCO)(H)	C(NN[5]H)(CHHO)(O)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CCO)(H)	C(NN[5]H)(CHHO)(O)	H(NN[5]C)	112.0470	0.000	1	112.0470	0.000	1	112.0470	0.000	1	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	N[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(N[5a]C[5,5a]C[5a])(CCO)(H)	C(NN[5a]H)(CC3)(O)	H(NN[5a]C)	N(N[5a]C[5,5a]C[5a])(CCO)(H)	C(NN[5a]H)(CC3)(O)	H(NN[5a]C)	120.5360	0.000	1	120.5360	0.000	1	120.6627	1.305	3	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	N[5a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(N[5a]C[5a,6a]C[5a])(CCO)(H)	C(NN[5a]H)(CH3)(O)	H(NN[5a]C)	N(N[5a]C[5a,6a]C[5a])(CCO)(H)	C(NN[5a]H)(CH3)(O)	H(NN[5a]C)	120.7260	1.608	2	120.7260	2.586	2	120.6627	1.305	3	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	N[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(N[6]C[6,6]C[6])(CCO)(H)	C(NN[6]H)(CC3)(O)	H(NN[6]C)	N(N[6]C[6,6]C[6])(CCO)(H)	C(NN[6]H)(CC3)(O)	H(NN[6]C)	117.9160	0.000	1	117.9160	0.000	1	118.1447	0.597	3	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	N[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(N[6]C[6]2)(CCO)(H)	C(NN[6]H)(CC3)(O)	H(NN[6]C)	N(N[6]C[6]2)(CCO)(H)	C(NN[6]H)(CC3)(O)	H(NN[6]C)	117.5120	0.000	1	117.5120	0.000	1	118.1447	0.597	3	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	N[6]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(N[6]C[6]2)(CCO)(H)	C(NN[6]H)(CHHO)(O)	H(NN[6]C)	N(N[6]C[6]2)(CCO)(H)	C(NN[6]H)(CHHO)(O)	H(NN[6]C)	119.0060	0.000	1	119.0060	0.000	1	118.1447	0.597	3	116.8690	4.872	1571	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OCo)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OCo)	H(NC[6]C)	116.2057	1.041	3	116.2057	1.083	3	115.6286	1.188	14	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OCu)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OCu)	H(NC[6]C)	114.7030	0.000	1	114.7030	0.000	1	115.6286	1.188	14	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OMn)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OMn)	H(NC[6]C)	116.2850	0.000	1	116.2850	0.000	1	115.6286	1.188	14	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(ONi)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(ONi)	H(NC[6]C)	114.3670	0.000	1	114.3670	0.000	1	115.6286	1.188	14	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OZn)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OZn)	H(NC[6]C)	116.3540	1.621	3	116.3540	2.628	3	115.6286	1.188	14	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CCHH)(OLi)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CCHH)(OLi)	H(NC[6]C)	115.1470	0.287	2	115.1470	0.082	2	115.6286	1.188	14	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CH3)(OCu)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CH3)(OCu)	H(NC[6]C)	115.1577	0.824	3	115.1577	0.680	3	115.6286	1.188	14	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:N-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCFF)(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCFF)(NC)	H(NC[6a]C)	119.2875	2.717	4	119.2875	7.383	4	118.5306	15.993	7	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:N-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CF3)(NC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CF3)(NC)	H(NC[6a]C)	124.2770	0.000	1	124.2770	0.000	1	118.5306	15.993	7	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:N-2:	N-3:	N(C[6a]C[6a]N[6a])(CCN)(H)	C(NC[6a]H)(CH3)(NO)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCN)(H)	C(NC[6a]H)(CH3)(NO)	H(NC[6a]C)	114.1435	0.046	2	114.1435	0.002	2	118.5306	15.993	7	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(OPd)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(OPd)	H(NC[6a]C)	115.2955	0.803	4	115.2955	0.644	4	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(OFe)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(OFe)	H(NC[6a]C)	117.9460	0.000	1	117.9460	0.000	1	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(OCo)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(OCo)	H(NC[6a]C)	115.5100	1.035	2	115.5100	1.072	2	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OH)	H(NC[6a]C)	116.6748	1.181	4	116.6748	1.394	4	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OMg)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OMg)	H(NC[6a]C)	118.8860	0.000	1	118.8860	0.000	1	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OPd)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OPd)	H(NC[6a]C)	115.3150	2.551	5	115.3150	6.508	5	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OZn)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OZn)	H(NC[6a]C)	110.8020	0.000	1	110.8020	0.000	1	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OCo)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OCo)	H(NC[6a]C)	115.5190	0.000	1	115.5190	0.000	1	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OFe)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OFe)	H(NC[6a]C)	117.4802	1.439	4	117.4802	2.072	4	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OIn)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OIn)	H(NC[6a]C)	116.4870	0.000	1	116.4870	0.000	1	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(ONi)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(ONi)	H(NC[6a]C)	118.4510	0.000	1	118.4510	0.000	1	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:2:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OZn)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OZn)	H(NC[6a]C)	115.7060	0.000	1	115.7060	0.000	1	116.1228	4.005	26	116.3342	5.510	47	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	C[6a]-3:C-4:N-3:	N-3:	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)	H(NCC)	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)	H(NCC)	115.6760	2.585	2	115.6760	6.683	2	115.6760	6.683	2	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(CCN)2(H)	C(NCrH)(CH3)(NCH)	H(NCC)	N(CCN)2(H)	C(NCrH)(CH3)(NCH)	H(NCC)	115.8840	0.255	2	115.8840	0.065	2	115.5600	5.740	6	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(CCN)2(H)	C(NPdH)(CH3)(NCH)	H(NCC)	N(CCN)2(H)	C(NPdH)(CH3)(NCH)	H(NCC)	115.4310	2.577	2	115.4310	6.639	2	115.5600	5.740	6	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(CCN)2(H)	C(NPtH)(CH3)(NCH)	H(NCC)	N(CCN)2(H)	C(NPtH)(CH3)(NCH)	H(NCC)	115.3650	4.656	2	115.3650	21.675	2	115.5600	5.740	6	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[5]-3:C-4:N-3:	N-3:	N(CC[5]C)(NCC)(H)	C(C[5]C[5,6a]C[5])(CH3)(NHN)	H(NCN)	N(CC[5]C)(NCC)(H)	C(C[5]C[5,6a]C[5])(CH3)(NHN)	H(NCN)	119.9833	0.233	3	119.9833	0.054	3	118.7433	3.239	6	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[5]-3:C-4:N-3:	N-3:	N(CC[5]C)(NCH)(H)	C(C[5]C[5]2)(CH3)(NHN)	H(NCN)	N(CC[5]C)(NCH)(H)	C(C[5]C[5]2)(CH3)(NHN)	H(NCN)	118.1190	0.000	1	118.1190	0.000	1	118.7433	3.239	6	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[5]-3:C-4:N-3:	N-3:	N(CC[5]C)(NHS)(H)	C(C[5]C[5]2)(CCHH)(NHN)	H(NCN)	N(CC[5]C)(NHS)(H)	C(C[5]C[5]2)(CCHH)(NHN)	H(NCN)	117.1955	2.508	2	117.1955	6.291	2	118.7433	3.239	6	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[5a]-3:C-4:N-3:	N-3:	N(CC[5a]C)(NCH)(H)	C(C[5a]C[5a]S[5a])(CH3)(NHN)	H(NCN)	N(CC[5a]C)(NCH)(H)	C(C[5a]C[5a]S[5a])(CH3)(NHN)	H(NCN)	118.8300	0.000	1	118.8300	0.000	1	118.8300	0.000	1	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6]-3:C-4:N-3:	N-3:	N(CC[6]C)(NCH)(H)	C(C[6]C[6]2)(CH3)(NHN)	H(NCN)	N(CC[6]C)(NCH)(H)	C(C[6]C[6]2)(CH3)(NHN)	H(NCN)	115.1725	2.030	2	115.1725	4.121	2	116.1815	4.790	4	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6]-3:C-4:N-3:	N-3:	N(CC[6]C)(NHH)(H)	C(C[6]C[6]2)(CH3)(NHN)	H(NCN)	N(CC[6]C)(NHH)(H)	C(C[6]C[6]2)(CH3)(NHN)	H(NCN)	118.9480	0.000	1	118.9480	0.000	1	116.1815	4.790	4	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	C[6]-3:C-4:N-3:	N-3:	N(CC[6]C)(NHS)(H)	C(C[6]C[6]2)(CH3)(NHN)	H(NCN)	N(CC[6]C)(NHS)(H)	C(C[6]C[6]2)(CH3)(NHN)	H(NCN)	115.4330	0.000	1	115.4330	0.000	1	116.1815	4.790	4	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C-3:N-3:H-1:	N-3:C-4:N-3:	N-3:	N(CCN)(NCH)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	H(NCN)	N(CCN)(NCH)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	H(NCN)	119.4060	0.000	1	119.4060	0.000	1	119.4060	0.000	1	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[5]C[5]2)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	H(NC[5]C)	N(C[5]C[5]2)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	H(NC[5]C)	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[5a]C[5a]2)(CCC)(H)	C(NC[5a]H)(CH3)(CCH)	H(NC[5a]C)	N(C[5a]C[5a]2)(CCC)(H)	C(NC[5a]H)(CH3)(CCH)	H(NC[5a]C)	114.0630	1.789	3	114.0630	3.200	3	115.1518	6.875	4	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[5a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[5a]N[5a]2)(CCC)(H)	C(NC[5a]H)(CH3)(CCH)	H(NC[5a]C)	N(C[5a]N[5a]2)(CCC)(H)	C(NC[5a]H)(CH3)(CCH)	H(NC[5a]C)	118.4180	0.000	1	118.4180	0.000	1	115.1518	6.875	4	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	C[5]-3:C-4:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(CC[6a]HH)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(CC[6a]HH)(NC[6a]H)	H(NC[6a]C)	117.0475	1.514	2	117.0475	2.292	2	117.0475	2.292	2	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	H(NC[6a]C)	114.1933	0.050	3	114.1933	0.003	3	114.4660	7.109	112	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CF3)(CCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CF3)(CCH)	H(NC[6a]C)	113.5840	0.000	1	113.5840	0.000	1	114.4660	7.109	112	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	H(NC[6a]C)	113.2750	2.369	4	113.2750	5.611	4	114.4660	7.109	112	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCCH)(CCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCCH)(CCH)	H(NC[6a]C)	113.5807	0.637	3	113.5807	0.406	3	114.4660	7.109	112	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CCC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CCC)	H(NC[6a]C)	111.8930	0.000	1	111.8930	0.000	1	114.4660	7.109	112	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CCH)	H(NC[6a]C)	115.1092	2.212	9	115.1092	4.891	9	114.4660	7.109	112	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CF3)(CCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CF3)(CCH)	H(NC[6a]C)	108.9000	0.000	1	108.9000	0.000	1	114.4660	7.109	112	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCC)	H(NC[6a]C)	113.8667	2.239	20	113.8667	5.012	20	114.4660	7.109	112	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	H(NC[6a]C)	114.7872	2.881	68	114.7872	8.301	68	114.4660	7.109	112	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCP)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCP)	H(NC[6a]C)	112.5330	0.000	1	112.5330	0.000	1	114.4660	7.109	112	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CHP)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CHP)	H(NC[6a]C)	118.0110	0.000	1	118.0110	0.000	1	114.4660	7.109	112	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCHH)(NPtH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCHH)(NPtH)	H(NC[6a]C)	118.5963	4.393	3	118.5963	19.294	3	118.3616	9.877	5	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CH3)(NHH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CH3)(NHH)	H(NC[6a]C)	118.0095	0.711	2	118.0095	0.505	2	118.3616	9.877	5	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	N-3:C-3:H-1:	C[5]-3:C-4:N-3:	N-3:	N(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5]2)(CH3)(NHN)	H(NCN)	N(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5]2)(CH3)(NHN)	H(NCN)	119.5610	0.000	1	119.5610	0.000	1	119.5610	0.000	1	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	N[5]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(N[5]C[5,6]C[5])(CCC)(H)	C(NN[5]H)(CH3)(CCH)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CCC)(H)	C(NN[5]H)(CH3)(CCH)	H(NN[5]C)	114.1070	0.000	1	114.1070	0.000	1	116.3280	9.866	2	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	N[5]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(N[5]C[5]2)(CCC)(H)	C(NN[5]H)(CH3)(CCH)	H(NN[5]C)	N(N[5]C[5]2)(CCC)(H)	C(NN[5]H)(CH3)(CCH)	H(NN[5]C)	118.5490	0.000	1	118.5490	0.000	1	116.3280	9.866	2	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:3:	3:	N[5a]-3:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(N[5a]C[5a]2)(CCC)(H)	C(NN[5a]H)(CH3)(CCH)	H(NN[5a]C)	N(N[5a]C[5a]2)(CCC)(H)	C(NN[5a]H)(CH3)(CCH)	H(NN[5a]C)	125.6710	0.000	1	125.6710	0.000	1	125.6710	0.000	1	115.1279	8.756	148	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-4:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CH3)	H(NC[6a]C)	115.7510	2.170	5	115.7510	4.711	5	116.3972	3.580	10	116.3972	3.580	10	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-4:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)2	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)2	H(NC[6a]C)	116.7703	1.603	4	116.7703	2.568	4	116.3972	3.580	10	116.3972	3.580	10	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	3:4:4:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:C-4:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CPdCH)(CH3)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CPdCH)(CH3)	H(NC[6a]C)	118.1360	0.000	1	118.1360	0.000	1	116.3972	3.580	10	116.3972	3.580	10	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:H-1:	N-3:	N(CCH)(CNS)(H)	C(CHHN)(NCH)(H)	H(NCC)	N(CCH)(CNS)(H)	C(CHHN)(NCH)(H)	H(NCC)	117.0090	0.000	1	117.0090	0.000	1	117.0090	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCC)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CCC)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	120.1870	0.000	1	120.1870	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCC)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CCC)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	119.6530	3.930	6	119.6530	15.445	6	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCC)(CCO)(H)	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	H(NCC)	N(CCC)(CCO)(H)	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	H(NCC)	121.0330	0.000	1	121.0330	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCC)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CCC)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	116.7015	1.993	10	116.7015	3.970	10	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCC)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CCC)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	118.9684	0.564	16	118.9684	0.319	16	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CCH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	119.2447	0.415	3	119.2447	0.173	3	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CCH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	118.5793	0.310	4	118.5793	0.096	4	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CCH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	116.6087	0.681	3	116.6087	0.464	3	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	N(CCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	119.2694	1.302	5	119.2694	1.695	5	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCN)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CCN)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	117.1253	1.800	3	117.1253	3.239	3	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CCP)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CCO)(CCP)(H)	C(CHHN)(NCH)(O)	H(NCC)	117.1560	0.000	1	117.1560	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CHN)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CCO)(CHN)(H)	C(CH3)(NCH)(O)	H(NCC)	118.0980	0.000	1	118.0980	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CHO)(H)	C(CC[6a]CO)(NCH)(O)	H(NCC)	N(CCO)(CHO)(H)	C(CC[6a]CO)(NCH)(O)	H(NCC)	116.5200	0.000	1	116.5200	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNN)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CCO)(CNN)(H)	C(CC3)(NCH)(O)	H(NCC)	119.0940	0.000	1	119.0940	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNN)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CCO)(CNN)(H)	C(CCHN)(NCH)(O)	H(NCC)	114.5600	0.000	1	114.5600	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNN)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	N(CCO)(CNN)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	116.4635	6.913	2	116.4635	47.795	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(CCHH)(NCH)(O)	H(NCC)	115.4549	0.789	14	115.4549	0.622	14	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(CC[6]CH)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(CC[6]CH)(NCH)(O)	H(NCC)	114.7620	1.847	2	114.7620	3.411	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	116.6910	0.000	1	116.6910	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(CCl3)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(CCl3)(NCH)(O)	H(NCC)	116.5980	0.000	1	116.5980	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(CClHH)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(CClHH)(NCH)(O)	H(NCC)	120.4690	3.033	2	120.4690	9.202	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(CH3)(NCH)(O)	H(NCC)	117.2558	2.893	4	117.2558	8.367	4	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(CHHN)(NCH)(O)	H(NCC)	115.4660	0.687	2	115.4660	0.472	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNO)(H)	C(CHHO)(NCH)(O)	H(NCC)	N(CCO)(CNO)(H)	C(CHHO)(NCH)(O)	H(NCC)	116.4370	0.175	2	116.4370	0.031	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNS)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CCO)(CNS)(H)	C(CC3)(NCH)(O)	H(NCC)	116.6057	1.274	14	116.6057	1.623	14	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNS)(H)	C(CCCH)(NCH)(O)	H(NCC)	N(CCO)(CNS)(H)	C(CCCH)(NCH)(O)	H(NCC)	115.4090	0.000	1	115.4090	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNS)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CCO)(CNS)(H)	C(CCHH)(NCH)(O)	H(NCC)	115.9020	1.126	38	115.9020	1.268	38	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNS)(H)	C(CCHO)(NCH)(O)	H(NCC)	N(CCO)(CNS)(H)	C(CCHO)(NCH)(O)	H(NCC)	114.7340	0.024	2	114.7340	0.001	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNS)(H)	C(CC[6a]2H)(NCH)(O)	H(NCC)	N(CCO)(CNS)(H)	C(CC[6a]2H)(NCH)(O)	H(NCC)	117.6837	2.587	3	117.6837	6.694	3	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNS)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	N(CCO)(CNS)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	115.8310	0.000	1	115.8310	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNS)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	N(CCO)(CNS)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	116.5640	1.915	2	116.5640	3.667	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNS)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CCO)(CNS)(H)	C(CH3)(NCH)(O)	H(NCC)	116.3877	1.351	18	116.3877	1.825	18	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNS)(H)	C(CHHO)(NCH)(O)	H(NCC)	N(CCO)(CNS)(H)	C(CHHO)(NCH)(O)	H(NCC)	115.4015	0.603	2	115.4015	0.364	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(COO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CCO)(COO)(H)	C(CCHH)(NCH)(O)	H(NCC)	115.3380	1.385	2	115.3380	1.917	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(COO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CCO)(COO)(H)	C(CCHN)(NCH)(O)	H(NCC)	116.4965	3.318	2	116.4965	11.012	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(COO)(H)	C(CCl3)(NCH)(O)	H(NCC)	N(CCO)(COO)(H)	C(CCl3)(NCH)(O)	H(NCC)	119.3470	0.000	1	119.3470	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(COS)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CCO)(COS)(H)	C(CH3)(NCH)(O)	H(NCC)	116.4330	0.000	1	116.4330	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)2(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CCO)2(H)	C(CCHH)(NCH)(O)	H(NCC)	113.4850	0.000	1	113.4850	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)2(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	N(CCO)2(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	113.9290	1.140	2	113.9290	1.299	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5a]C[6a])(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[5a]C[6a])(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	119.0340	0.000	1	119.0340	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]C)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	115.4035	0.074	2	115.4035	0.006	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]C)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	116.4140	0.000	1	116.4140	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]C)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	116.9295	2.081	15	116.9295	4.332	15	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]C[6])(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CC[6a]C[6])(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	118.9550	0.403	3	118.9550	0.162	3	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]C[6])(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[6a]C[6])(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	116.8690	0.000	1	116.8690	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]O)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	111.4950	0.000	2	111.4950	0.000	2	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CN[5]S)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CN[5]S)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	117.0480	0.000	1	117.0480	0.000	1	116.8214	4.362	203	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:S-1:	N-3:	N(CCS)(CNS)(H)	C(CCHH)(NCH)(S)	H(NCC)	N(CCS)(CNS)(H)	C(CCHH)(NCH)(S)	H(NCC)	116.2210	0.000	1	116.2210	0.000	1	116.2210	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(CNS)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	N(CC[3]O)(CNS)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	115.1710	0.139	2	115.1710	0.019	2	115.1710	0.019	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3x4,3x6]-4:N-3:O-1:	N-3:	N(CC[3x4,3x6]O)(CNO)(H)	C(C[3x4,3x6]C[3x4,3x6]3)(NCH)(O)	H(NCC)	N(CC[3x4,3x6]O)(CNO)(H)	C(C[3x4,3x6]C[3x4,3x6]3)(NCH)(O)	H(NCC)	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3x6]-4:N-3:O-1:	N-3:	N(CC[3x6]O)(CCH)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	H(NCC)	N(CC[3x6]O)(CCH)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	H(NCC)	118.5660	0.000	1	118.5660	0.000	1	116.7360	2.707	3	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[3x6]-4:N-3:O-1:	N-3:	N(CC[3x6]O)(CNS)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	H(NCC)	N(CC[3x6]O)(CNS)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	H(NCC)	115.8210	0.625	2	115.8210	0.391	2	116.7360	2.707	3	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CNN)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CNN)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	116.2877	1.732	7	116.2877	2.999	7	115.6939	1.198	26	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CNO)(H)	C(C[5]C[5]S[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CNO)(H)	C(C[5]C[5]S[5]H)(NCH)(O)	H(NCC)	115.0596	0.735	8	115.0596	0.541	8	115.6939	1.198	26	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CNS)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	N(CC[5]O)(CNS)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	115.7426	0.504	10	115.7426	0.254	10	115.6939	1.198	26	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CN[6]O)(H)	C(C[5]C[5]S[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CN[6]O)(H)	C(C[5]C[5]S[5]H)(NCH)(O)	H(NCC)	116.1240	0.000	1	116.1240	0.000	1	115.6939	1.198	26	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCH)(H)	C(C[6]C[6]O[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CCH)(H)	C(C[6]C[6]O[6]H)(NCH)(O)	H(NCC)	117.6400	1.629	2	117.6400	2.654	2	117.0146	4.413	5	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CNN)(H)	C(C[6]C[6]2C)(NCH)(O)	H(NCC)	N(CC[6]O)(CNN)(H)	C(C[6]C[6]2C)(NCH)(O)	H(NCC)	114.7380	0.000	1	114.7380	0.000	1	117.0146	4.413	5	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CNS)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	N(CC[6]O)(CNS)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	115.4650	0.000	1	115.4650	0.000	1	117.0146	4.413	5	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CN[6]S)(H)	C(C[6]C[6,6]C[6]C)(NCH)(O)	H(NCC)	N(CC[6]O)(CN[6]S)(H)	C(C[6]C[6,6]C[6]C)(NCH)(O)	H(NCC)	119.5900	0.000	1	119.5900	0.000	1	117.0146	4.413	5	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCC)(H)	C(CCHH)(NHN)(O)	H(NCN)	N(CCO)(NCC)(H)	C(CCHH)(NHN)(O)	H(NCN)	120.9160	0.000	1	120.9160	0.000	1	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCC)(H)	C(CH3)(NHN)(O)	H(NCN)	N(CCO)(NCC)(H)	C(CH3)(NHN)(O)	H(NCN)	120.2665	0.057	2	120.2665	0.003	2	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	H(NCN)	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	H(NCN)	118.8834	2.287	35	118.8834	5.230	35	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCC)(H)	C(CHHO)(NHN)(O)	H(NCN)	N(CCO)(NCC)(H)	C(CHHO)(NHN)(O)	H(NCN)	120.5463	0.017	3	120.5463	0.000	3	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CC3)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CC3)(NHN)(O)	H(NCN)	122.6975	1.603	2	122.6975	2.570	2	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CCCH)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CCCH)(NHN)(O)	H(NCN)	120.3490	0.296	3	120.3490	0.088	3	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	H(NCN)	120.7134	1.045	9	120.7134	1.092	9	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CCHN)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CCHN)(NHN)(O)	H(NCN)	120.4040	0.393	3	120.4040	0.154	3	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CCHO)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CCHO)(NHN)(O)	H(NCN)	121.8140	4.016	3	121.8140	16.131	3	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CC[6]HH)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CC[6]HH)(NHN)(O)	H(NCN)	121.2830	0.000	1	121.2830	0.000	1	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CC[6a]2O)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CC[6a]2O)(NHN)(O)	H(NCN)	123.7450	0.245	2	123.7450	0.060	2	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CC[6a]CH)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CC[6a]CH)(NHN)(O)	H(NCN)	123.7850	0.000	1	123.7850	0.000	1	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CC[6a]HH)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CC[6a]HH)(NHN)(O)	H(NCN)	123.4758	1.531	4	123.4758	2.345	4	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	H(NCN)	121.9777	2.057	6	121.9777	4.231	6	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CHHN)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CHHN)(NHN)(O)	H(NCN)	120.2995	2.350	2	120.2995	5.521	2	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NCH)(H)	C(CHHO)(NHN)(O)	H(NCN)	N(CCO)(NCH)(H)	C(CHHO)(NHN)(O)	H(NCN)	120.5806	2.054	12	120.5806	4.219	12	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CCCH)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CCCH)(NHN)(O)	H(NCN)	119.3710	0.000	1	119.3710	0.000	1	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CCHH)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CCHH)(NHN)(O)	H(NCN)	119.6862	2.647	6	119.6862	7.006	6	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CCHN)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CCHN)(NHN)(O)	H(NCN)	121.5143	1.190	4	121.5143	1.417	4	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CCHO)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CCHO)(NHN)(O)	H(NCN)	121.7923	0.270	3	121.7923	0.073	3	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CC[5a]HH)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CC[5a]HH)(NHN)(O)	H(NCN)	119.5030	1.459	3	119.5030	2.129	3	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CC[6a]HH)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CC[6a]HH)(NHN)(O)	H(NCN)	120.1077	1.880	4	120.1077	3.535	4	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CH3)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CH3)(NHN)(O)	H(NCN)	120.3020	0.470	2	120.3020	0.220	2	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	H(NCN)	120.8130	0.000	1	120.8130	0.000	1	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CHHO)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CHHO)(NHN)(O)	H(NCN)	120.0384	2.951	8	120.0384	8.708	8	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CN[5a]HH)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CN[5a]HH)(NHN)(O)	H(NCN)	118.4635	0.097	2	118.4635	0.009	2	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CN[6]HH)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CN[6]HH)(NHN)(O)	H(NCN)	118.6090	0.000	1	118.6090	0.000	1	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHP)(H)	C(CHHO)(NHN)(O)	H(NCN)	N(CCO)(NHP)(H)	C(CHHO)(NHN)(O)	H(NCN)	122.6850	0.000	1	122.6850	0.000	1	120.2978	5.138	125	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C[3x6]-4:N-3:O-1:	N-3:	N(CC[3x6]O)(NHH)(H)	C(C[3x6]C[6,6]3)(NHN)(O)	H(NCN)	N(CC[3x6]O)(NHH)(H)	C(C[3x6]C[6,6]3)(NHN)(O)	H(NCN)	120.4013	7.198	4	120.4013	51.808	4	120.4013	51.808	4	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[4]O)(NCH)(H)	C(C[4]C[4]2H)(NHN)(O)	H(NCN)	N(CC[4]O)(NCH)(H)	C(C[4]C[4]2H)(NHN)(O)	H(NCN)	119.2093	0.874	3	119.2093	0.764	3	119.2093	0.764	3	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(NCH)(H)	C(C[5]C[5]2Fe)(NHN)(O)	H(NCN)	N(CC[5]O)(NCH)(H)	C(C[5]C[5]2Fe)(NHN)(O)	H(NCN)	128.1550	0.000	1	128.1550	0.000	1	122.3680	66.979	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(NCH)(H)	C(C[5]C[5]N[5]H)(NHN)(O)	H(NCN)	N(CC[5]O)(NCH)(H)	C(C[5]C[5]N[5]H)(NHN)(O)	H(NCN)	116.5810	0.000	1	116.5810	0.000	1	122.3680	66.979	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2H)(NHN)(O)	H(NCN)	N(CC[6]O)(NCH)(H)	C(C[6]C[6]2H)(NHN)(O)	H(NCN)	126.0530	0.000	1	126.0530	0.000	1	126.0530	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:S-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(SCO)(H)	C(CC[6a]FH)(NHS)(O)	H(NCS)	N(CCO)(SCO)(H)	C(CC[6a]FH)(NHS)(O)	H(NCS)	120.3400	0.000	1	120.3400	0.000	1	120.3400	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:S-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(SCO)(H)	C(C[5]C[5]N[5]H)(NHS)(O)	H(NCS)	N(CC[5]O)(SCO)(H)	C(C[5]C[5]N[5]H)(NHS)(O)	H(NCS)	117.8310	0.000	1	117.8310	0.000	1	117.8310	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	H(NC[5a]C)	119.6750	0.000	1	119.6750	0.000	1	118.7275	2.306	30	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5a]C[5a]2)(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	H(NC[5a]C)	119.4275	1.179	8	119.4275	1.390	8	118.7275	2.306	30	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5a]C[5a]N[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	H(NC[5a]C)	118.9470	0.000	1	118.9470	0.000	1	118.7275	2.306	30	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5a]C[5a]S[5a])(CCO)(H)	C(CC[5a]HH)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]S[5a])(CCO)(H)	C(CC[5a]HH)(NC[5a]H)(O)	H(NC[5a]C)	117.1563	0.928	3	117.1563	0.862	3	118.7275	2.306	30	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5a]N[5a]2)(CCO)(H)	C(CN[5a]HH)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]2)(CCO)(H)	C(CN[5a]HH)(NC[5a]H)(O)	H(NC[5a]C)	116.8250	0.000	1	116.8250	0.000	1	118.7275	2.306	30	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[3x6]HH)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[3x6]HH)(NC[5a]H)(O)	H(NC[5a]C)	116.8940	0.363	2	116.8940	0.132	2	118.7275	2.306	30	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]2H)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]2H)(NC[5a]H)(O)	H(NC[5a]C)	121.3490	0.000	1	121.3490	0.000	1	118.7275	2.306	30	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]CH)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]CH)(NC[5a]H)(O)	H(NC[5a]C)	118.2445	0.110	2	118.2445	0.012	2	118.7275	2.306	30	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	H(NC[5a]C)	119.0364	1.698	9	119.0364	2.882	9	118.7275	2.306	30	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CN[6]HH)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CN[6]HH)(NC[5a]H)(O)	H(NC[5a]C)	118.2680	0.990	2	118.2680	0.980	2	118.7275	2.306	30	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[5a]C[5a]2)(CC[3]O)(H)	C(C[3]C[3]2H)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CC[3]O)(H)	C(C[3]C[3]2H)(NC[5a]H)(O)	H(NC[5a]C)	119.5820	0.000	1	119.5820	0.000	1	118.9220	0.871	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[5a]H)(O)	H(NC[5a]C)	118.2620	0.000	1	118.2620	0.000	1	118.9220	0.871	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[5a]C[5a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	H(NC[5a]C)	116.3310	0.000	1	116.3310	0.000	1	118.8543	5.025	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[5a]C[5a]S[5a])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]S[5a])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[5a]H)(O)	H(NC[5a]C)	120.8230	0.000	1	120.8230	0.000	1	118.8543	5.025	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[5a]C[5a]S[5a])(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]C[5a]S[5a])(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	H(NC[5a]C)	117.5400	0.349	2	117.5400	0.122	2	118.8543	5.025	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[5a]N[5a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5a]H)(O)	H(NC[5a]C)	120.4460	2.498	2	120.4460	6.238	2	118.8543	5.025	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[5a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[5a]N[5a]S[5a])(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[5a]H)(O)	H(NC[5a]C)	N(C[5a]N[5a]S[5a])(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[5a]H)(O)	H(NC[5a]C)	117.8740	0.318	2	117.8740	0.101	2	117.8740	0.101	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6]C[6]2)(CCO)(H)	C(CC[6a]CO)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C(CC[6a]CO)(NC[6]H)(O)	H(NC[6]C)	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6]H)(O)	H(NC[6]C)	116.4160	0.004	2	116.4160	0.000	2	117.6900	5.201	13	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	H(NC[6]C)	117.0940	0.592	8	117.0940	0.350	8	117.6900	5.201	13	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]N[6])(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6]H)(O)	H(NC[6]C)	120.8820	0.000	1	120.8820	0.000	1	117.6900	5.201	13	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]N[6])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6]H)(O)	H(NC[6]C)	119.7520	5.931	2	119.7520	35.179	2	117.6900	5.201	13	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	H(NC[6a]C)	116.2960	0.051	2	116.2960	0.003	2	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[4]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[4]HH)(NC[6a]H)(O)	H(NC[6a]C)	117.8380	0.925	3	117.8380	0.856	3	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]2C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]2C)(NC[6a]H)(O)	H(NC[6a]C)	117.8900	0.000	1	117.8900	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]C[6]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]C[6]H)(NC[6a]H)(O)	H(NC[6a]C)	115.7820	0.000	1	115.7820	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	H(NC[6a]C)	115.5740	0.000	1	115.5740	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	H(NC[6a]C)	116.2571	0.848	13	116.2571	0.719	13	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	H(NC[6a]C)	115.2330	0.000	1	115.2330	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[3]CH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[3]CH)(NC[6a]H)(O)	H(NC[6a]C)	113.7720	0.000	2	113.7720	0.000	2	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[4]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[4]HH)(NC[6a]H)(O)	H(NC[6a]C)	118.7870	0.000	1	118.7870	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]CH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]CH)(NC[6a]H)(O)	H(NC[6a]C)	115.6495	0.298	2	115.6495	0.089	2	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]FF)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]FF)(NC[6a]H)(O)	H(NC[6a]C)	117.8180	0.000	1	117.8180	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]HH)(NC[6a]H)(O)	H(NC[6a]C)	116.2675	0.183	4	116.2675	0.033	4	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]C[6a]O)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]C[6a]O)(NC[6a]H)(O)	H(NC[6a]C)	111.4040	0.000	1	111.4040	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]FF)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]FF)(NC[6a]H)(O)	H(NC[6a]C)	114.3940	0.000	1	114.3940	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]HH)(NC[6a]H)(O)	H(NC[6a]C)	117.2430	0.960	8	117.2430	0.923	8	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]N[6]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]N[6]H)(NC[6a]H)(O)	H(NC[6a]C)	115.0810	1.022	2	115.0810	1.045	2	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]CH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]CH)(NC[6a]H)(O)	H(NC[6a]C)	116.4723	0.842	6	116.4723	0.710	6	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]HH)(NC[6a]H)(O)	H(NC[6a]C)	115.0913	0.793	3	115.0913	0.629	3	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2C)(NC[6a]H)(O)	H(NC[6a]C)	116.5910	2.490	3	116.5910	6.199	3	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2H)(NC[6a]H)(O)	H(NC[6a]C)	117.3523	1.429	6	117.3523	2.042	6	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2O)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2O)(NC[6a]H)(O)	H(NC[6a]C)	115.4560	0.000	1	115.4560	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]3)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]3)(NC[6a]H)(O)	H(NC[6a]C)	118.7753	3.558	13	118.7753	12.657	13	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CC)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CC)(NC[6a]H)(O)	H(NC[6a]C)	117.4012	1.511	5	117.4012	2.282	5	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CF)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CF)(NC[6a]H)(O)	H(NC[6a]C)	119.1500	0.000	1	119.1500	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CH)(NC[6a]H)(O)	H(NC[6a]C)	116.9710	1.294	11	116.9710	1.676	11	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CO)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CO)(NC[6a]H)(O)	H(NC[6a]C)	115.5889	2.286	9	115.5889	5.225	9	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]ClH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]ClH)(NC[6a]H)(O)	H(NC[6a]C)	115.6707	1.579	4	115.6707	2.492	4	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]FF)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]FF)(NC[6a]H)(O)	H(NC[6a]C)	118.3850	2.000	2	118.3850	3.999	2	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]FH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]FH)(NC[6a]H)(O)	H(NC[6a]C)	116.8490	0.000	1	116.8490	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	H(NC[6a]C)	118.0060	2.517	24	118.0060	6.335	24	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HN)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HN)(NC[6a]H)(O)	H(NC[6a]C)	117.6565	2.715	2	117.6565	7.369	2	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HO)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HO)(NC[6a]H)(O)	H(NC[6a]C)	116.3198	2.568	6	116.3198	6.593	6	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	H(NC[6a]C)	119.1040	0.000	1	119.1040	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(O)	H(NC[6a]C)	116.2515	1.670	20	116.2515	2.788	20	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]PdH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]PdH)(NC[6a]H)(O)	H(NC[6a]C)	115.5610	0.257	3	115.5610	0.066	3	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5a]CH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5a]CH)(NC[6a]H)(O)	H(NC[6a]C)	113.8630	0.000	1	113.8630	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5a]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5a]HH)(NC[6a]H)(O)	H(NC[6a]C)	116.0210	0.577	2	116.0210	0.333	2	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CN[6,6]CC)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[6,6]CC)(NC[6a]H)(O)	H(NC[6a]C)	114.4040	1.130	2	114.4040	1.277	2	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	H(NC[6a]C)	115.2535	2.308	4	115.2535	5.327	4	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	H(NC[6a]C)	117.4480	1.619	3	117.4480	2.620	3	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CN[5a]CH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CN[5a]CH)(NC[6a]H)(O)	H(NC[6a]C)	116.3993	0.929	6	116.3993	0.862	6	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	H(NC[6a]C)	113.9495	0.974	2	113.9495	0.948	2	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6a]N[6a]2)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	H(NC[6a]C)	114.7800	0.000	1	114.7800	0.000	1	116.7132	4.473	186	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CCS)(H)	C(CN[5a]CH)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCS)(H)	C(CN[5a]CH)(NC[6a]H)(S)	H(NC[6a]C)	114.6248	3.848	6	114.6248	14.810	6	114.6248	14.810	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3,5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[3,5]O)(H)	C(C[3,5]C[3,5]C[5]O[3])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3,5]O)(H)	C(C[3,5]C[3,5]C[5]O[3])(NC[6a]H)(O)	H(NC[6a]C)	116.4430	0.000	1	116.4430	0.000	1	116.4430	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	H(NC[6a]C)	119.3780	0.000	1	119.3780	0.000	1	117.5101	2.508	47	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	H(NC[6a]C)	116.6865	2.508	4	116.6865	6.288	4	117.5101	2.508	47	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3,5]O[3]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3,5]O[3]H)(NC[6a]H)(O)	H(NC[6a]C)	116.9090	0.290	2	116.9090	0.084	2	117.5101	2.508	47	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2C)(NC[6a]H)(O)	H(NC[6a]C)	117.6210	1.820	11	117.6210	3.313	11	117.5101	2.508	47	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2F)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2F)(NC[6a]H)(O)	H(NC[6a]C)	119.8760	0.000	1	119.8760	0.000	1	117.5101	2.508	47	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	H(NC[6a]C)	117.5620	1.094	13	117.5620	1.197	13	117.5101	2.508	47	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]N[3]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]N[3]H)(NC[6a]H)(O)	H(NC[6a]C)	116.7020	0.000	1	116.7020	0.000	1	117.5101	2.508	47	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	H(NC[6a]C)	117.6029	1.803	10	117.6029	3.250	10	117.5101	2.508	47	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]O[3]N)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]O[3]N)(NC[6a]H)(O)	H(NC[6a]C)	116.9880	0.000	1	116.9880	0.000	1	117.5101	2.508	47	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C(C[3]C[3]2H)(NC[6a]H)(O)	H(NC[6a]C)	117.1010	1.651	3	117.1010	2.725	3	117.5101	2.508	47	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3x6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	H(NC[6a]C)	115.9030	0.454	2	115.9030	0.206	2	117.5197	2.659	14	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3x6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	H(NC[6a]C)	117.7035	1.506	8	117.7035	2.267	8	117.5197	2.659	14	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3x6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	H(NC[6a]C)	117.2333	1.713	3	117.2333	2.934	3	117.5197	2.659	14	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3x6]-4:N-3:O-1:	N-3:	N(C[6a]N[6a]2)(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]N[6a]2)(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	H(NC[6a]C)	120.1420	0.000	1	120.1420	0.000	1	117.5197	2.659	14	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	C(C[4]C[4]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	C(C[4]C[4]2H)(NC[6a]H)(O)	H(NC[6a]C)	116.2150	0.000	1	116.2150	0.000	1	116.7324	2.375	20	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C(C[4]C[4]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C(C[4]C[4]2H)(NC[6a]H)(O)	H(NC[6a]C)	116.6111	1.481	9	116.6111	2.192	9	116.7324	2.375	20	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C(C[4]C[4]N[4]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C(C[4]C[4]N[4]H)(NC[6a]H)(O)	H(NC[6a]C)	114.0900	0.000	1	114.0900	0.000	1	116.7324	2.375	20	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[4]O)(H)	C(C[4]C[4,5]C[4]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[4]O)(H)	C(C[4]C[4,5]C[4]H)(NC[6a]H)(O)	H(NC[6a]C)	116.8760	0.000	1	116.8760	0.000	1	116.7324	2.375	20	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[4]O)(H)	C(C[4]C[4]2C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[4]O)(H)	C(C[4]C[4]2C)(NC[6a]H)(O)	H(NC[6a]C)	117.8287	2.077	3	117.8287	4.316	3	116.7324	2.375	20	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[4]O)(H)	C(C[4]C[4]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[4]O)(H)	C(C[4]C[4]2H)(NC[6a]H)(O)	H(NC[6a]C)	116.8962	1.397	5	116.8962	1.952	5	116.7324	2.375	20	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]2H)(NC[6a]H)(O)	H(NC[6a]C)	119.2613	2.705	3	119.2613	7.319	3	117.9685	5.183	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(NC[6a]H)(O)	H(NC[6a]C)	115.9120	0.000	1	115.9120	0.000	1	117.9685	5.183	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[6]N[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[6]N[5])(NC[6a]H)(O)	H(NC[6a]C)	117.4890	0.000	1	117.4890	0.000	1	117.9685	5.183	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[6]O[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[6]O[5])(NC[6a]H)(O)	H(NC[6a]C)	116.6260	0.000	1	116.6260	0.000	1	117.9685	5.183	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6a]H)(O)	H(NC[6a]C)	115.3660	0.161	2	115.3660	0.026	2	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	H(NC[6a]C)	116.4245	1.202	8	116.4245	1.444	8	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	H(NC[6a]C)	118.4930	1.148	2	118.4930	1.319	2	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	H(NC[6a]C)	115.4110	0.000	1	115.4110	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(NC[6a]H)(O)	H(NC[6a]C)	114.6695	1.648	2	114.6695	2.717	2	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6]C[5]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6]C[5]C)(NC[6a]H)(O)	H(NC[6a]C)	118.3205	0.579	2	118.3205	0.335	2	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6]C[5]Mo)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6]C[5]Mo)(NC[6a]H)(O)	H(NC[6a]C)	118.7430	0.000	1	118.7430	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]2O)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]2O)(NC[6a]H)(O)	H(NC[6a]C)	115.8530	0.000	1	115.8530	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]C[5]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]C[5]C)(NC[6a]H)(O)	H(NC[6a]C)	120.1430	0.000	1	120.1430	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]C[5]O)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]C[5]O)(NC[6a]H)(O)	H(NC[6a]C)	115.8910	0.000	1	115.8910	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]C[5a]N[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5,6a]C[5a]N[5])(NC[6a]H)(O)	H(NC[6a]C)	113.7700	0.000	1	113.7700	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2C)(NC[6a]H)(O)	H(NC[6a]C)	116.2092	0.099	8	116.2092	0.010	8	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6a]H)(O)	H(NC[6a]C)	119.4197	1.048	3	119.4197	1.098	3	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	H(NC[6a]C)	117.9876	2.500	8	117.9876	6.250	8	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2H)(NC[6a]H)(O)	H(NC[6a]C)	117.6670	0.000	1	117.6670	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2O)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2O)(NC[6a]H)(O)	H(NC[6a]C)	115.0660	0.000	1	115.0660	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	H(NC[6a]C)	116.4684	1.155	10	116.4684	1.335	10	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	H(NC[6a]C)	116.3184	2.119	62	116.3184	4.492	62	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	H(NC[6a]C)	115.5891	0.329	8	115.5891	0.108	8	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]S[5]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]S[5]C)(NC[6a]H)(O)	H(NC[6a]C)	116.5830	0.000	1	116.5830	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[6a]C[5]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[6a]C[5]2)(NC[6a]H)(O)	H(NC[6a]C)	115.3100	0.000	1	115.3100	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[6a]C[5]N[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[6a]C[5]N[5])(NC[6a]H)(O)	H(NC[6a]C)	113.5230	0.000	1	113.5230	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[6a]C[5]S[5])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[6a]C[5]S[5])(NC[6a]H)(O)	H(NC[6a]C)	118.8900	0.158	2	118.8900	0.025	2	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]S[5]2C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]S[5]2C)(NC[6a]H)(O)	H(NC[6a]C)	117.8550	0.000	1	117.8550	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C(C[5]C[5]2Co)(NC[6a]H)(O)	H(NC[6a]C)	117.8770	0.000	1	117.8770	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	H(NC[6a]C)	116.5000	0.000	1	116.5000	0.000	1	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	H(NC[6a]C)	115.4662	6.294	13	115.4662	39.620	13	116.4382	6.778	144	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CC[5]S)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]S)(H)	C(C[5]C[5]2Fe)(NC[6a]H)(S)	H(NC[6a]C)	115.4620	0.000	1	115.4620	0.000	1	114.6545	1.304	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CC[5]S)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]S)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(S)	H(NC[6a]C)	113.8470	0.000	1	113.8470	0.000	1	114.6545	1.304	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6,6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]C)(NC[6a]H)(O)	H(NC[6a]C)	121.2940	0.000	1	121.2940	0.000	1	118.8930	11.530	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6,6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C(C[6,6]C[6,6]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C(C[6,6]C[6,6]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	116.4920	0.000	1	116.4920	0.000	1	118.8930	11.530	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C(C[6]C[6]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C(C[6]C[6]2H)(NC[6a]H)(O)	H(NC[6a]C)	118.4477	2.735	3	118.4477	7.482	3	117.3331	4.833	34	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C(C[6]C[6]O[6]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C(C[6]C[6]O[6]H)(NC[6a]H)(O)	H(NC[6a]C)	125.2700	0.000	1	125.2700	0.000	1	117.3331	4.833	34	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[3]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[3]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	117.0540	0.000	1	117.0540	0.000	1	117.3331	4.833	34	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	H(NC[6a]C)	118.5700	0.000	1	118.5700	0.000	1	117.3331	4.833	34	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6,6]C[6]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6,6]C[6]C)(NC[6a]H)(O)	H(NC[6a]C)	115.1880	0.000	1	115.1880	0.000	1	117.3331	4.833	34	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6,6]C[6]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6,6]C[6]H)(NC[6a]H)(O)	H(NC[6a]C)	116.3035	0.729	2	116.3035	0.531	2	117.3331	4.833	34	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2C)(NC[6a]H)(O)	H(NC[6a]C)	120.6920	0.000	1	120.6920	0.000	1	117.3331	4.833	34	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2H)(NC[6a]H)(O)	H(NC[6a]C)	117.2049	1.452	12	117.2049	2.109	12	117.3331	4.833	34	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6]C)(NC[6a]H)(O)	H(NC[6a]C)	118.4510	0.000	1	118.4510	0.000	1	117.3331	4.833	34	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	H(NC[6a]C)	116.3608	1.564	10	116.3608	2.445	10	117.3331	4.833	34	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]O[6]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]O[6]C)(NC[6a]H)(O)	H(NC[6a]C)	116.0850	0.000	1	116.0850	0.000	1	117.3331	4.833	34	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]2H)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]2H)(NC[6a]H)(S)	H(NC[6a]C)	115.9557	1.510	3	115.9557	2.281	3	115.0462	3.222	5	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]2N)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]2N)(NC[6a]H)(S)	H(NC[6a]C)	114.7120	0.000	1	114.7120	0.000	1	115.0462	3.222	5	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]S)(H)	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	H(NC[6a]C)	112.6520	0.000	1	112.6520	0.000	1	115.0462	3.222	5	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	P-4:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CPS)(H)	C(PC[6]2S)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CPS)(H)	C(PC[6]2S)(NC[6a]H)(S)	H(NC[6a]C)	113.6480	0.000	1	113.6480	0.000	1	117.2550	26.021	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	P-4:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CPS)(H)	C(PC[6a]2O)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CPS)(H)	C(PC[6a]2O)(NC[6a]H)(S)	H(NC[6a]C)	120.8620	0.000	1	120.8620	0.000	1	117.2550	26.021	2	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(NC[6]H)(CCO)(H)	C(CN[5a]HH)(NHN)(O)	H(NCN)	N(NC[6]H)(CCO)(H)	C(CN[5a]HH)(NHN)(O)	H(NCN)	118.4370	0.000	1	118.4370	0.000	1	121.9104	15.589	7	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(NC[6a]H)(CCO)(H)	C(CCHH)(NHN)(O)	H(NCN)	N(NC[6a]H)(CCO)(H)	C(CCHH)(NHN)(O)	H(NCN)	122.1445	0.531	2	122.1445	0.282	2	121.9104	15.589	7	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(NC[6a]H)(CCO)(H)	C(CCHN)(NHN)(O)	H(NCN)	N(NC[6a]H)(CCO)(H)	C(CCHN)(NHN)(O)	H(NCN)	121.0900	0.000	1	121.0900	0.000	1	121.9104	15.589	7	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	H(NCN)	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	H(NCN)	123.0510	0.000	1	123.0510	0.000	1	121.9104	15.589	7	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(NSnC)(CCO)(H)	C(CC[3x6]HH)(NHN)(O)	H(NCN)	N(NSnC)(CCO)(H)	C(CC[3x6]HH)(NHN)(O)	H(NCN)	123.2530	8.689	2	123.2530	75.497	2	121.9104	15.589	7	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N[4]-3:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(N[4]C[4]2)(CC[4]O)(H)	C(C[4]C[4]2H)(NN[4]H)(O)	H(NN[4]C)	N(N[4]C[4]2)(CC[4]O)(H)	C(C[4]C[4]2H)(NN[4]H)(O)	H(NN[4]C)	120.5230	0.000	1	120.5230	0.000	1	120.5230	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N[5]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(N[5]C[5,6]C[5])(CCO)(H)	C(CC[5a]HH)(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CCO)(H)	C(CC[5a]HH)(NN[5]H)(O)	H(NN[5]C)	119.9955	0.118	2	119.9955	0.014	2	120.9185	2.768	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N[5]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(N[5]C[5,6]C[5])(CCO)(H)	C(CC[6a]2O)(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CCO)(H)	C(CC[6a]2O)(NN[5]H)(O)	H(NN[5]C)	120.6950	0.000	1	120.6950	0.000	1	120.9185	2.768	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N[5]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(N[5]C[5]2)(CCO)(H)	C(CC[6a]CH)(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5]2)(CCO)(H)	C(CC[6a]CH)(NN[5]H)(O)	H(NN[5]C)	122.2670	2.835	2	122.2670	8.040	2	120.9185	2.768	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N[5]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(N[5]C[5]2)(CCO)(H)	C(CC[6a]HH)(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5]2)(CCO)(H)	C(CC[6a]HH)(NN[5]H)(O)	H(NN[5]C)	120.2910	0.000	1	120.2910	0.000	1	120.9185	2.768	6	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N[5]-3:C-3:H-1:	C[5,5,6]-4:N-3:O-1:	N-3:	N(N[5]C[5,5]C[5])(CC[5,5,6]O)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5,5]C[5])(CC[5,5,6]O)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NN[5]H)(O)	H(NN[5]C)	120.8960	0.000	1	120.8960	0.000	1	120.8960	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N[6a]-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(N[6a]C[6a]2)(CCO)(H)	C(CC[6a]CH)(NN[6a]H)(O)	H(NN[6a]C)	N(N[6a]C[6a]2)(CCO)(H)	C(CC[6a]CH)(NN[6a]H)(O)	H(NN[6a]C)	120.3850	0.000	1	120.3850	0.000	1	120.3850	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	P-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(PC[6a]2)(CCO)(H)	C(CH3)(NHP)(O)	H(NCP)	N(PC[6a]2)(CCO)(H)	C(CH3)(NHP)(O)	H(NCP)	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	117.4525	6.979	919	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)2(H)	C(CH3)(NCH)(OCa)	H(NCC)	N(CCO)2(H)	C(CH3)(NCH)(OCa)	H(NCC)	116.4070	4.663	2	116.4070	21.740	2	116.4797	10.886	3	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	C-3:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CC[6a]C)(CCO)(H)	C(CH3)(NCH)(OPd)	H(NCC)	N(CC[6a]C)(CCO)(H)	C(CH3)(NCH)(OPd)	H(NCC)	116.6250	0.000	1	116.6250	0.000	1	116.4797	10.886	3	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NN)	H(NC[6a]C)	114.9075	0.913	2	114.9075	0.833	2	115.8960	4.104	4	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]CH)(NC[6a]H)(NS)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]CH)(NC[6a]H)(NS)	H(NC[6a]C)	116.8845	2.751	2	116.8845	7.570	2	115.8960	4.104	4	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(OMo)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(OMo)	H(NC[6a]C)	113.3700	0.000	1	113.3700	0.000	1	115.9500	4.564	5	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(ORu)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(ORu)	H(NC[6a]C)	116.5950	1.820	4	116.5950	3.311	4	115.9500	4.564	5	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C[3x6]-4:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CC[3x6]N)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3x6]N)(H)	C(C[3x6]C[6,6]3)(NC[6a]H)(NC[6a])	H(NC[6a]C)	116.0150	0.000	1	116.0150	0.000	1	116.0150	0.000	1	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C[4]-4:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[4]O)(H)	C(C[4]C[4]2H)(NC[6a]H)(OPd)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[4]O)(H)	C(C[4]C[4]2H)(NC[6a]H)(OPd)	H(NC[6a]C)	117.4240	0.000	1	117.4240	0.000	1	117.4240	0.000	1	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C[5]-4:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(OCo)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6a]H)(OCo)	H(NC[6a]C)	118.5005	0.022	2	118.5005	0.000	2	118.5005	0.000	2	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	C[6a]-3:C-3:H-1:	C[6]-4:N-3:O-2:	N-3:	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[6a]H)(ONi)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[6a]H)(ONi)	H(NC[6a]C)	118.7850	1.390	2	118.7850	1.933	2	118.7850	1.933	2	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	N-3:C-3:H-1:	C-4:N-3:N-2:	N-3:	N(NC[6a]H)(CCN)(H)	C(CH3)(NHN)(NH)	H(NCN)	N(NC[6a]H)(CCN)(H)	C(CH3)(NHN)(NH)	H(NCN)	118.0100	0.000	1	118.0100	0.000	1	118.0100	0.000	1	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	N-3:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(NCoC)(CCO)(H)	C(CCHO)(NHN)(OCo)	H(NCN)	N(NCoC)(CCO)(H)	C(CCHO)(NHN)(OCo)	H(NCN)	123.3500	9.259	2	123.3500	85.726	2	122.8100	7.892	14	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	N-3:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(NFeC)(CCO)(H)	C(CCHH)(NHN)(OFe)	H(NCN)	N(NFeC)(CCO)(H)	C(CCHH)(NHN)(OFe)	H(NCN)	123.8365	0.822	2	123.8365	0.676	2	122.8100	7.892	14	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	N-3:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(NFeC)(CCO)(H)	C(CH3)(NHN)(OFe)	H(NCN)	N(NFeC)(CCO)(H)	C(CH3)(NHN)(OFe)	H(NCN)	122.6780	0.284	2	122.6780	0.081	2	122.8100	7.892	14	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	N-3:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(NNiC)(CCO)(H)	C(CCHH)(NHN)(ONi)	H(NCN)	N(NNiC)(CCO)(H)	C(CCHH)(NHN)(ONi)	H(NCN)	122.9314	0.310	5	122.9314	0.096	5	122.8100	7.892	14	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	N-3:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(NNiC)(CCO)(H)	C(CH3)(NHN)(ONi)	H(NCN)	N(NNiC)(CCO)(H)	C(CH3)(NHN)(ONi)	H(NCN)	121.6930	0.000	1	121.6930	0.000	1	122.8100	7.892	14	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	N-3:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(NZnC)(CCO)(H)	C(CCHH)(NHN)(OZn)	H(NCN)	N(NZnC)(CCO)(H)	C(CCHH)(NHN)(OZn)	H(NCN)	121.6305	2.983	2	121.6305	8.900	2	122.8100	7.892	14	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:2:	3:	O-3:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(ONiH)(CCO)(H)	C(CH3)(NHO)(ONi)	H(NCO)	N(ONiH)(CCO)(H)	C(CH3)(NHO)(ONi)	H(NCO)	132.0580	0.000	1	132.0580	0.000	1	132.0580	0.000	1	119.7115	19.105	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CC3)(COO)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CC3)(COO)(NCH)	H(NCC)	115.7250	0.000	1	115.7250	0.000	1	115.0363	1.688	9	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CCHH)(CCH)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CCHH)(CCH)(NCH)	H(NCC)	113.6515	1.791	2	113.6515	3.208	2	115.0363	1.688	9	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CC[5a]C[6a]H)(CC[6a]H)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CC[5a]C[6a]H)(CC[6a]H)(NCH)	H(NCC)	117.2160	0.000	1	117.2160	0.000	1	115.0363	1.688	9	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CH3)(CCH)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CH3)(CCH)(NCH)	H(NCC)	115.2210	0.120	2	115.2210	0.014	2	115.0363	1.688	9	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(CCO)(H)	C(CH3)(COO)(NCH)	H(NCC)	N(CCC)(CCO)(H)	C(CH3)(COO)(NCH)	H(NCC)	115.7260	0.000	1	115.7260	0.000	1	115.0363	1.688	9	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(CNO)(H)	C(CCHH)(CCC)(NCH)	H(NCC)	N(CCC)(CNO)(H)	C(CCHH)(CCC)(NCH)	H(NCC)	114.4575	0.071	2	114.4575	0.005	2	115.0363	1.688	9	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)(CCO)(H)	C(CCHH)(NPtH)(NCH)	H(NCC)	N(CCN)(CCO)(H)	C(CCHH)(NPtH)(NCH)	H(NCC)	115.1900	0.000	1	115.1900	0.000	1	115.4798	22.165	5	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(CCN)2(H)	C(CCHH)(NPtH)(NCH)	H(NCC)	N(CCN)2(H)	C(CCHH)(NPtH)(NCH)	H(NCC)	115.5523	5.433	4	115.5523	29.519	4	115.4798	22.165	5	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	P-4:C-3:N-3:	N-3:	N(CCO)(CCP)(H)	C(PO3)(CHH)(NCH)	H(NCC)	N(CCO)(CCP)(H)	C(PO3)(CHH)(NCH)	H(NCC)	117.1450	0.000	1	117.1450	0.000	1	117.4990	0.251	2	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:C-3:H-1:	P-4:C-3:N-3:	N-3:	N(CCP)(COO)(H)	C(PO3)(CHH)(NCH)	H(NCC)	N(CCP)(COO)(H)	C(PO3)(CHH)(NCH)	H(NCC)	117.8530	0.000	1	117.8530	0.000	1	117.4990	0.251	2	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:N-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(NCH)(H)	C(CH3)(CCH)(NHN)	H(NCN)	N(CCC)(NCH)(H)	C(CH3)(CCH)(NHN)	H(NCN)	119.7330	1.657	2	119.7330	2.747	2	119.7330	2.747	2	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C-3:P-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCC)(PCC)(H)	C(CH3)(CCH)(NHP)	H(NCP)	N(CCC)(PCC)(H)	C(CH3)(CCH)(NHP)	H(NCP)	113.9230	0.000	1	113.9230	0.000	1	113.9230	0.000	1	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]CH)(NC[6a]H)(CCC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]CH)(NC[6a]H)(CCC)	H(NC[6a]C)	115.5600	0.000	1	115.5600	0.000	1	115.1937	3.569	4	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:C-3:	N-3:	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	H(NC[6a]C)	115.0717	2.294	3	115.0717	5.264	3	115.1937	3.569	4	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NCuC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NCuC)	H(NC[6a]C)	115.6630	0.040	2	115.6630	0.002	2	116.3672	4.452	4	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NHN)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NHN)	H(NC[6a]C)	119.4560	0.000	1	119.4560	0.000	1	116.3672	4.452	4	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NRuC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NRuC)	H(NC[6a]C)	114.6870	0.000	1	114.6870	0.000	1	116.3672	4.452	4	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	C[6a]-3:C-3:H-1:	C[5,6]-4:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5,6]N)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]H)(NCH)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5,6]N)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]H)(NCH)	H(NC[6a]C)	119.9140	0.000	1	119.9140	0.000	1	119.9140	0.000	1	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	N-3:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(NC[6a]2)(CCC)(H)	C(CH3)(CCH)(NHN)	H(NCN)	N(NC[6a]2)(CCC)(H)	C(CH3)(CCH)(NHN)	H(NCN)	121.0900	0.000	1	121.0900	0.000	1	120.1610	0.891	4	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	N-3:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(NC[6a]C)(CCC)(H)	C(CH3)(CCH)(NHN)	H(NCN)	N(NC[6a]C)(CCC)(H)	C(CH3)(CCH)(NHN)	H(NCN)	119.4350	0.000	1	119.4350	0.000	1	120.1610	0.891	4	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	N-3:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(NPdC)(CCC)(H)	C(CC3)(CHP)(NHN)	H(NCN)	N(NPdC)(CCC)(H)	C(CC3)(CHP)(NHN)	H(NCN)	120.0595	1.124	2	120.0595	1.262	2	120.1610	0.891	4	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	N-3:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(NOsC)(CCN)(H)	C(CC[5a]HH)(NC[6a]Os)(NHN)	H(NCN)	N(NOsC)(CCN)(H)	C(CC[5a]HH)(NC[6a]Os)(NHN)	H(NCN)	121.0830	0.000	1	121.0830	0.000	1	122.3495	3.208	2	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:3:3:	3:	N-3:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(NRuC)(CCN)(H)	C(CC[5a]HH)(NC[6a]Ru)(NHN)	H(NCN)	N(NRuC)(CCN)(H)	C(CC[5a]HH)(NC[6a]Ru)(NHN)	H(NCN)	123.6160	0.000	1	123.6160	0.000	1	122.3495	3.208	2	116.8416	9.872	34	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	4:4:3:	3:	C-3:N-3:H-1:	C[5]-4:C-4:N-3:	N-3:	N(CC[5]C)(NSnC)(H)	C(C[5]C[5]2Fe)(CH3)(NHN)	H(NCN)	N(CC[5]C)(NSnC)(H)	C(C[5]C[5]2Fe)(CH3)(NHN)	H(NCN)	130.1530	0.000	1	130.1530	0.000	1	130.1530	0.000	1	130.1530	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	5:3:1:	3:	C-3:C[6a]-3:H-1:	C[3x3,4,3x5,14x6]-5:N-3:O-1:	N-3:	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(O)	H(NC[6a]C)	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(O)	H(NC[6a]C)	117.1025	1.692	2	117.1025	2.863	2	117.1025	2.863	2	117.1025	2.863	2	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	5:3:2:	3:	C-3:C[6a]-3:H-1:	C[3x3,4,3x5,14x6]-5:N-3:S-2:	N-3:	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(SIr)	H(NC[6a]C)	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(SIr)	H(NC[6a]C)	118.1050	0.701	2	118.1050	0.492	2	118.1640	0.256	3	118.1640	0.256	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	5:3:2:	3:	C-3:C[6a]-3:H-1:	C[3x3,4,3x5,14x6]-5:N-3:S-2:	N-3:	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(SRh)	H(NC[6a]C)	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(SRh)	H(NC[6a]C)	118.2820	0.000	1	118.2820	0.000	1	118.1640	0.256	3	118.1640	0.256	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	6:3:1:	3:	C-3:C[6a]-3:H-1:	C[5x3,5x5,20x6]-6:N-3:O-1:	N-3:	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	H(NC[6a]C)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	H(NC[6a]C)	116.6428	0.710	6	116.6428	0.505	6	116.4686	2.494	9	116.5705	2.356	14	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	6:3:1:	3:	C-3:C[6a]-3:H-1:	C[5x3,5x5,20x6]-6:N-3:O-1:	N-3:	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	H(NC[6a]C)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	H(NC[6a]C)	116.1200	2.905	3	116.1200	8.441	3	116.4686	2.494	9	116.5705	2.356	14	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	6:3:1:	3:	C-3:C[6a]-3:H-1:	C[5x3,5x5,20x6]-6:N-3:S-1:	N-3:	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(S)	H(NC[6a]C)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(S)	H(NC[6a]C)	117.6470	1.327	3	117.6470	1.760	3	117.6470	1.760	3	116.5705	2.356	14	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	6:3:1:	3:	C[6a]-3:C-3:H-1:	C[5x3,5x5,20x6]-6:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	H(NC[6a]C)	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	116.5705	2.356	14	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	6:3:1:	3:	C[6a]-3:C-3:H-1:	C[5x4]-6:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[5x4]O)(H)	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[5x4]O)(H)	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(NC[6a]H)(O)	H(NC[6a]C)	114.7380	0.000	1	114.7380	0.000	1	114.7380	0.000	1	116.5705	2.356	14	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	6:3:2:	3:	C-3:C[6a]-3:H-1:	C[5x3,5x5,20x6]-6:N-3:S-2:	N-3:	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(SIr)	H(NC[6a]C)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(SIr)	H(NC[6a]C)	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	6:3:3:	3:	C-3:C[6a]-3:H-1:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]H)	H(NC[6a]C)	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]H)	H(NC[6a]C)	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:3:1:	7:3:1:	3:	C-3:C[6a]-3:H-1:	C[4x3,4,4]-7:N-3:O-1:	N-3:	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	H(NC[6a]C)	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	H(NC[6a]C)	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:2:3:	3:	C-3:C-4:H-1:	C[5a]-3:N-2:N-3:	N-3:	N(CC[5a]N)(CC3)(H)	C(C[5a]C[5a,6a]N[5a])(NC[6a])(NCH)	H(NCC)	N(CC[5a]N)(CC3)(H)	C(C[5a]C[5a,6a]N[5a])(NC[6a])(NCH)	H(NCC)	116.9010	0.100	2	116.9010	0.010	2	116.9010	0.010	2	118.4164	4.270	5	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:2:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-2:N-3:	N-3:	N(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6a])(NCH)	H(NCC)	N(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NC[6a])(NCH)	H(NCC)	118.2170	0.796	2	118.2170	0.634	2	119.4267	4.707	3	118.4164	4.270	5	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:2:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-2:N-3:	N-3:	N(CC[6a]N)(CH3)(H)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	H(NCC)	N(CC[6a]N)(CH3)(H)	C(C[6a]C[6a]N[6a])(NC[6a])(NCH)	H(NCC)	121.8460	0.000	1	121.8460	0.000	1	119.4267	4.707	3	118.4164	4.270	5	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:N-3:H-1:	N-3:	N(CC[5]H)(CC3)(H)	C(C[5]C[5]2)(NCH)(H)	H(NCC)	N(CC[5]H)(CC3)(H)	C(C[5]C[5]2)(NCH)(H)	H(NCC)	116.8120	0.000	1	116.8120	0.000	1	117.4865	20.461	13	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:N-3:H-1:	N-3:	N(CC[5]H)(CC3)(H)	C(C[5]C[5]N[5])(NCH)(H)	H(NCC)	N(CC[5]H)(CC3)(H)	C(C[5]C[5]N[5])(NCH)(H)	H(NCC)	114.0040	0.000	1	114.0040	0.000	1	117.4865	20.461	13	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:N-3:H-1:	N-3:	N(CC[5]H)(CC3)(H)	C(C[5]C[5]S[5])(NCH)(H)	H(NCC)	N(CC[5]H)(CC3)(H)	C(C[5]C[5]S[5])(NCH)(H)	H(NCC)	127.2560	0.000	1	127.2560	0.000	1	117.4865	20.461	13	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:N-3:H-1:	N-3:	N(CC[5]H)(CCHH)(H)	C(C[5]C[5]2)(NCH)(H)	H(NCC)	N(CC[5]H)(CCHH)(H)	C(C[5]C[5]2)(NCH)(H)	H(NCC)	116.7273	3.983	7	116.7273	15.865	7	117.4865	20.461	13	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:N-3:H-1:	N-3:	N(CC[5]H)(CCHH)(H)	C(C[5]C[5]N[5])(NCH)(H)	H(NCC)	N(CC[5]H)(CCHH)(H)	C(C[5]C[5]N[5])(NCH)(H)	H(NCC)	117.3873	4.374	3	117.3873	19.128	3	117.4865	20.461	13	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2)(NCH)(O)	H(NCC)	122.1370	0.000	1	122.1370	0.000	1	119.8667	1.791	12	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]S[5])(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]S[5])(NCH)(O)	H(NCC)	119.5564	1.808	5	119.5564	3.269	5	119.8667	1.791	12	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:N-3:O-1:	N-3:	N(CC[5]O)(CH3)(H)	C(C[5]C[5]N[5])(NCH)(O)	H(NCC)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]N[5])(NCH)(O)	H(NCC)	119.2770	0.000	1	119.2770	0.000	1	119.8667	1.791	12	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:N-3:O-1:	N-3:	N(CC[5]O)(CH3)(H)	C(C[5]C[5]S[5])(NCH)(O)	H(NCC)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]S[5])(NCH)(O)	H(NCC)	119.8408	0.397	5	119.8408	0.158	5	119.8667	1.791	12	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5]-3:N-3:S-1:	N-3:	N(CC[5]S)(CH3)(H)	C(C[5]C[5]S[5])(NCH)(S)	H(NCC)	N(CC[5]S)(CH3)(H)	C(C[5]C[5]S[5])(NCH)(S)	H(NCC)	114.7560	0.000	1	114.7560	0.000	1	114.7560	0.000	1	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:H-1:	N-3:	N(CC[5a]H)(CC3)(H)	C(C[5a]C[5a]N[5a])(NCH)(H)	H(NCC)	N(CC[5a]H)(CC3)(H)	C(C[5a]C[5a]N[5a])(NCH)(H)	H(NCC)	116.5175	0.773	2	116.5175	0.597	2	118.2227	3.965	7	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:H-1:	N-3:	N(CC[5a]H)(CCHH)(H)	C(C[5a]C[5a]N[5a])(NCH)(H)	H(NCC)	N(CC[5a]H)(CCHH)(H)	C(C[5a]C[5a]N[5a])(NCH)(H)	H(NCC)	118.9048	1.940	5	118.9048	3.763	5	118.2227	3.965	7	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a,6a]C[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a,6a]C[5a])(NCH)(O)	H(NCC)	115.4320	0.000	1	115.4320	0.000	1	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	118.3023	2.251	4	118.3023	5.067	4	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	115.4880	1.583	2	115.4880	2.504	2	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	117.2915	1.720	2	117.2915	2.960	2	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	119.3687	0.621	16	119.3687	0.386	16	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	119.9036	0.914	5	119.9036	0.836	5	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	119.0770	0.769	2	119.0770	0.592	2	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a,6a]C[5a])(NCH)(O)	H(NCC)	119.5729	0.588	7	119.5729	0.346	7	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a,6a]N[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a,6a]N[5a])(NCH)(O)	H(NCC)	118.2667	0.202	3	118.2667	0.041	3	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	118.5377	0.481	3	118.5377	0.231	3	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	118.9072	1.251	38	118.9072	1.564	38	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	117.4750	2.570	2	117.4750	6.603	2	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	119.2500	0.058	2	119.2500	0.003	2	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCHH)(H)	C(C[5a]N[5a]2)(NCH)(O)	H(NCC)	N(CC[5a]O)(CCHH)(H)	C(C[5a]N[5a]2)(NCH)(O)	H(NCC)	120.6163	1.721	3	120.6163	2.962	3	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CCHO)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CCHO)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	116.1500	0.000	1	116.1500	0.000	1	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CH3)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	N(CC[5a]O)(CH3)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	119.4830	1.464	2	119.4830	2.142	2	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CH3)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CH3)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	120.1540	0.872	4	120.1540	0.761	4	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CH3)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CH3)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	118.8960	0.000	1	118.8960	0.000	1	118.9551	1.964	98	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6]H)(CC3)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(NCC)	N(CC[6]H)(CC3)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(NCC)	116.8410	0.037	2	116.8410	0.001	2	115.3659	7.100	81	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6]H)(CC3)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	N(CC[6]H)(CC3)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	114.0221	2.160	18	114.0221	4.664	18	115.3659	7.100	81	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6]H)(CCCH)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(NCC)	N(CC[6]H)(CCCH)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(NCC)	115.8247	2.846	3	115.8247	8.100	3	115.3659	7.100	81	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6]H)(CCCH)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	N(CC[6]H)(CCCH)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	114.9409	2.469	13	114.9409	6.097	13	115.3659	7.100	81	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(NCC)	N(CC[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(NCC)	115.0362	2.615	12	115.0362	6.836	12	115.3659	7.100	81	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6]H)(CCHH)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	N(CC[6]H)(CCHH)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	116.6691	2.601	30	116.6691	6.767	30	115.3659	7.100	81	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6]H)(CH3)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	N(CC[6]H)(CH3)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	112.1153	1.437	3	112.1153	2.065	3	115.3659	7.100	81	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[3,6]C[6])(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[3,6]C[6])(NCH)(O)	H(NCC)	114.4550	0.000	1	114.4550	0.000	1	119.5280	13.656	78	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	116.5860	0.201	2	116.5860	0.040	2	119.5280	13.656	78	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	118.7327	0.455	3	118.7327	0.207	3	119.5280	13.656	78	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	119.8212	4.699	43	119.8212	22.082	43	119.5280	13.656	78	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]N[6])(NCH)(O)	H(NCC)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]N[6])(NCH)(O)	H(NCC)	119.0402	1.769	5	119.0402	3.130	5	119.5280	13.656	78	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(CCHH)(H)	C(C[6]N[5,6]C[6])(NCH)(O)	H(NCC)	N(CC[6]O)(CCHH)(H)	C(C[6]N[5,6]C[6])(NCH)(O)	H(NCC)	119.1480	0.000	1	119.1480	0.000	1	119.5280	13.656	78	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(CH3)(H)	C(C[6]C[5,6]N[6])(NCH)(O)	H(NCC)	N(CC[6]O)(CH3)(H)	C(C[6]C[5,6]N[6])(NCH)(O)	H(NCC)	118.2160	0.000	1	118.2160	0.000	1	119.5280	13.656	78	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(CH3)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	N(CC[6]O)(CH3)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	118.9834	0.377	10	118.9834	0.142	10	119.5280	13.656	78	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(CH3)(H)	C(C[6]C[6]N[6])(NCH)(O)	H(NCC)	N(CC[6]O)(CH3)(H)	C(C[6]C[6]N[6])(NCH)(O)	H(NCC)	120.3873	2.051	12	120.3873	4.206	12	119.5280	13.656	78	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:S-1:	N-3:	N(CC[6]S)(CH3)(H)	C(C[6]C[6]2)(NCH)(S)	H(NCC)	N(CC[6]S)(CH3)(H)	C(C[6]C[6]2)(NCH)(S)	H(NCC)	117.2857	1.358	6	117.2857	1.845	6	117.2857	1.845	6	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	N(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	121.5640	1.769	2	121.5640	3.130	2	113.9742	19.601	18	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	N(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	112.9789	3.779	15	112.9789	14.282	15	113.9742	19.601	18	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	N(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	113.7250	0.000	1	113.7250	0.000	1	113.9742	19.601	18	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5,6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5,6a]2)(NCH)(O)	H(NCC)	121.2600	0.000	1	121.2600	0.000	1	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5a,6a]C[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5a,6a]C[6a])(NCH)(O)	H(NCC)	121.3425	4.504	2	121.3425	20.282	2	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	H(NCC)	116.1805	0.176	2	116.1805	0.031	2	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(O)	H(NCC)	118.0565	2.129	2	118.0565	4.533	2	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	117.3255	0.313	2	117.3255	0.098	2	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	118.2319	1.672	51	118.2319	2.795	51	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	115.8016	5.784	5	115.8016	33.453	5	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.3568	2.298	168	119.3568	5.280	168	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	118.3706	1.296	19	118.3706	1.680	19	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]O[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]O[6a])(NCH)(O)	H(NCC)	119.5600	1.230	2	119.5600	1.514	2	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	H(NCC)	118.1830	0.000	1	118.1830	0.000	1	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	117.6780	0.000	1	117.6780	0.000	1	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a,6a]N[6a])(NCH)(O)	H(NCC)	118.8160	0.230	3	118.8160	0.053	3	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.5958	2.370	341	119.5958	5.615	341	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	118.6968	1.806	130	118.6968	3.260	130	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCHN)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCHN)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	121.2560	0.000	1	121.2560	0.000	1	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCHP)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CCHP)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	119.3720	0.000	1	119.3720	0.000	1	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCHP)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCHP)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	122.2070	0.000	1	122.2070	0.000	1	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CH3)(H)	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	H(NCC)	118.1120	0.000	1	118.1120	0.000	1	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CH3)(H)	C(C[6a]C[5,6a]C[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[5,6a]C[6a])(NCH)(O)	H(NCC)	118.9630	0.066	2	118.9630	0.004	2	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(O)	H(NCC)	116.9570	0.000	1	116.9570	0.000	1	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6,6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6,6a]N[6a])(NCH)(O)	H(NCC)	118.8220	0.000	1	118.8220	0.000	1	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.0851	1.615	35	119.0851	2.609	35	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	118.5981	1.935	12	118.5981	3.745	12	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CHHP)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CHHP)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	120.2600	0.000	1	120.2600	0.000	1	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CHHS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CHHS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	118.4940	0.000	1	118.4940	0.000	1	119.1940	5.028	787	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(CC[6a]S)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	N(CC[6a]S)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	115.9485	0.766	2	115.9485	0.586	2	117.7599	2.190	28	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(CC[6a]S)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	N(CC[6a]S)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	118.3550	1.927	6	118.3550	3.712	6	117.7599	2.190	28	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(CC[6a]S)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(S)	H(NCC)	N(CC[6a]S)(CCHH)(H)	C(C[6a]C[6a]N[6a])(NCH)(S)	H(NCC)	117.5045	0.544	12	117.5045	0.296	12	117.7599	2.190	28	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(CC[6a]S)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	N(CC[6a]S)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	118.1495	1.929	8	118.1495	3.720	8	117.7599	2.190	28	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:Se-1:	N-3:	N(CC[6a]Se)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(Se)	H(NCC)	N(CC[6a]Se)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(Se)	H(NCC)	119.0550	0.000	1	119.0550	0.000	1	119.0550	0.000	1	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N-3:N-3:Se-1:	N-3:	N(CSeN)(CC3)(H)	C(NCC)(NCH)(Se)	H(NCC)	N(CSeN)(CC3)(H)	C(NCC)(NCH)(Se)	H(NCC)	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:O-1:	N-3:	N(CN[5]O)(CC3)(H)	C(N[5]C[5]2)(NCH)(O)	H(NCC)	N(CN[5]O)(CC3)(H)	C(N[5]C[5]2)(NCH)(O)	H(NCC)	117.4920	0.000	1	117.4920	0.000	1	118.5148	1.080	6	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:O-1:	N-3:	N(CN[5]O)(CCHH)(H)	C(N[5]C[5,6a]C[5])(NCH)(O)	H(NCC)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5,6a]C[5])(NCH)(O)	H(NCC)	119.4710	0.000	1	119.4710	0.000	1	118.5148	1.080	6	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:O-1:	N-3:	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]2)(NCH)(O)	H(NCC)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]2)(NCH)(O)	H(NCC)	119.0135	0.524	2	119.0135	0.275	2	118.5148	1.080	6	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:O-1:	N-3:	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]S[5])(NCH)(O)	H(NCC)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]S[5])(NCH)(O)	H(NCC)	119.1060	0.000	1	119.1060	0.000	1	118.5148	1.080	6	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:O-1:	N-3:	N(CN[5]O)(CH3)(H)	C(N[5]C[5]2)(NCH)(O)	H(NCC)	N(CN[5]O)(CH3)(H)	C(N[5]C[5]2)(NCH)(O)	H(NCC)	116.9930	0.000	1	116.9930	0.000	1	118.5148	1.080	6	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:S-1:	N-3:	N(CN[5]S)(CCHH)(H)	C(N[5]C[5]2)(NCH)(S)	H(NCC)	N(CN[5]S)(CCHH)(H)	C(N[5]C[5]2)(NCH)(S)	H(NCC)	119.2190	0.000	1	119.2190	0.000	1	118.1651	0.295	7	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:S-1:	N-3:	N(CN[5]S)(CCHH)(H)	C(N[5]C[5]N[5])(NCH)(S)	H(NCC)	N(CN[5]S)(CCHH)(H)	C(N[5]C[5]N[5])(NCH)(S)	H(NCC)	118.0530	0.427	3	118.0530	0.182	3	118.1651	0.295	7	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:S-1:	N-3:	N(CN[5]S)(CH3)(H)	C(N[5]C[5]2)(NCH)(S)	H(NCC)	N(CN[5]S)(CH3)(H)	C(N[5]C[5]2)(NCH)(S)	H(NCC)	117.8790	0.264	2	117.8790	0.070	2	118.1651	0.295	7	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:S-1:	N-3:	N(CN[5]S)(CH3)(H)	C(N[5]C[5]N[5])(NCH)(S)	H(NCC)	N(CN[5]S)(CH3)(H)	C(N[5]C[5]N[5])(NCH)(S)	H(NCC)	118.0200	0.000	1	118.0200	0.000	1	118.1651	0.295	7	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:Se-1:	N-3:	N(CN[5]Se)(CC3)(H)	C(N[5]C[5]2)(NCH)(Se)	H(NCC)	N(CN[5]Se)(CC3)(H)	C(N[5]C[5]2)(NCH)(Se)	H(NCC)	116.8850	0.000	1	116.8850	0.000	1	118.8815	7.972	2	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:Se-1:	N-3:	N(CN[5]Se)(CCHH)(H)	C(N[5]C[5]2)(NCH)(Se)	H(NCC)	N(CN[5]Se)(CCHH)(H)	C(N[5]C[5]2)(NCH)(Se)	H(NCC)	120.8780	0.000	1	120.8780	0.000	1	118.8815	7.972	2	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(CN[5a]O)(CC3)(H)	C(N[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CN[5a]O)(CC3)(H)	C(N[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	118.0043	0.063	3	118.0043	0.004	3	118.7545	2.254	4	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(CN[5a]O)(CH3)(H)	C(N[5a]C[5a]2)(NCH)(O)	H(NCC)	N(CN[5a]O)(CH3)(H)	C(N[5a]C[5a]2)(NCH)(O)	H(NCC)	121.0050	0.000	1	121.0050	0.000	1	118.7545	2.254	4	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[6]-3:N-3:O-1:	N-3:	N(CN[6]O)(CC3)(H)	C(N[6]C[6]2)(NCH)(O)	H(NCC)	N(CN[6]O)(CC3)(H)	C(N[6]C[6]2)(NCH)(O)	H(NCC)	117.2340	0.000	1	117.2340	0.000	1	119.1410	5.166	11	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[6]-3:N-3:O-1:	N-3:	N(CN[6]O)(CCCH)(H)	C(N[6]C[6]2)(NCH)(O)	H(NCC)	N(CN[6]O)(CCCH)(H)	C(N[6]C[6]2)(NCH)(O)	H(NCC)	119.8640	0.000	1	119.8640	0.000	1	119.1410	5.166	11	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[6]-3:N-3:O-1:	N-3:	N(CN[6]O)(CCHH)(H)	C(N[6]C[6,6a]2)(NCH)(O)	H(NCC)	N(CN[6]O)(CCHH)(H)	C(N[6]C[6,6a]2)(NCH)(O)	H(NCC)	119.7660	0.000	1	119.7660	0.000	1	119.1410	5.166	11	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[6]-3:N-3:O-1:	N-3:	N(CN[6]O)(CCHH)(H)	C(N[6]C[6]2)(NCH)(O)	H(NCC)	N(CN[6]O)(CCHH)(H)	C(N[6]C[6]2)(NCH)(O)	H(NCC)	122.1825	1.679	2	122.1825	2.820	2	119.1410	5.166	11	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[6]-3:N-3:O-1:	N-3:	N(CN[6]O)(CH3)(H)	C(N[6]C[6]N[6])(NCH)(O)	H(NCC)	N(CN[6]O)(CH3)(H)	C(N[6]C[6]N[6])(NCH)(O)	H(NCC)	119.5160	0.195	4	119.5160	0.038	4	119.1410	5.166	11	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[6]-3:N-3:O-1:	N-3:	N(CN[6]O)(CHHN)(H)	C(N[6]C[6]2)(NCH)(O)	H(NCC)	N(CN[6]O)(CHHN)(H)	C(N[6]C[6]2)(NCH)(O)	H(NCC)	115.6290	0.662	2	115.6290	0.438	2	119.1410	5.166	11	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[6]-3:N-3:S-1:	N-3:	N(CN[6]S)(CCHH)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	N(CN[6]S)(CCHH)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	114.8915	2.493	2	114.8915	6.213	2	117.4988	7.251	5	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[6]-3:N-3:S-1:	N-3:	N(CN[6]S)(CH3)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	N(CN[6]S)(CH3)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	119.2370	0.256	3	119.2370	0.065	3	117.4988	7.251	5	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[5]-3:N-3:O-1:	N-3:	N(CC[5]O)(NH3)(H)	C(C[5]N[5]2)(NHN)(O)	H(NCN)	N(CC[5]O)(NH3)(H)	C(C[5]N[5]2)(NHN)(O)	H(NCN)	124.3270	2.655	3	124.3270	7.047	3	124.3270	7.047	3	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NH3)(H)	C(C[5a]N[5a]2)(NHN)(O)	H(NCN)	N(CC[5a]O)(NH3)(H)	C(C[5a]N[5a]2)(NHN)(O)	H(NCN)	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(NC3)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	N(CC[6]O)(NC3)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	117.8763	0.673	3	117.8763	0.453	3	122.1318	13.506	13	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(NCHH)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	N(CC[6]O)(NCHH)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	118.5320	0.000	1	118.5320	0.000	1	122.1318	13.506	13	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(NH3)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	N(CC[6]O)(NH3)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	123.9503	2.831	9	123.9503	8.014	9	122.1318	13.506	13	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NBHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NBHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	120.8830	0.000	1	120.8830	0.000	1	123.2545	11.248	2	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NH3)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NH3)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	125.6260	0.000	1	125.6260	0.000	1	123.2545	11.248	2	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:P-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	H(NCP)	N(CC[6a]O)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(O)	H(NCP)	117.4667	2.294	35	117.4667	5.264	35	117.6248	5.192	38	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:P-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(O)	H(NCP)	N(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(O)	H(NCP)	118.3420	0.000	1	118.3420	0.000	1	117.6248	5.192	38	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:P-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(POOS)(H)	C(C[6a]C[6a]2)(NHP)(O)	H(NCP)	N(CC[6a]O)(POOS)(H)	C(C[6a]C[6a]2)(NHP)(O)	H(NCP)	120.0325	0.381	2	120.0325	0.145	2	117.6248	5.192	38	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:P-4:H-1:	N[5]-3:N-3:S-1:	N-3:	N(CN[5]S)(PCCS)(H)	C(N[5]C[5]2)(NHP)(S)	H(NCP)	N(CN[5]S)(PCCS)(H)	C(N[5]C[5]2)(NHP)(S)	H(NCP)	116.4510	0.000	1	116.4510	0.000	1	116.4510	0.000	1	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:P-4:H-1:	N[6]-3:N-3:O-1:	N-3:	N(CN[6]O)(PCCS)(H)	C(N[6]C[6]2)(NHP)(O)	H(NCP)	N(CN[6]O)(PCCS)(H)	C(N[6]C[6]2)(NHP)(O)	H(NCP)	117.7370	0.000	1	117.7370	0.000	1	117.7370	0.000	1	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:S-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	N(CC[6a]O)(SCOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	118.6497	1.108	7	118.6497	1.228	7	118.5506	1.131	8	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:S-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(SNOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	N(CC[6a]O)(SNOO)(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	117.8570	0.000	1	117.8570	0.000	1	118.5506	1.131	8	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:Si-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(SiC3)(H)	C(C[6a]C[6a]2)(NSiH)(O)	H(NSiC)	N(CC[6a]O)(SiC3)(H)	C(C[6a]C[6a]2)(NSiH)(O)	H(NSiC)	118.2565	0.052	2	118.2565	0.003	2	118.2565	0.003	2	118.7782	7.257	1235	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-2:	N-3:	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]N[5a])(NCH)(OCu)	H(NCC)	N(CC[5a]O)(CCCH)(H)	C(C[5a]C[5a]N[5a])(NCH)(OCu)	H(NCC)	118.6740	0.110	4	118.6740	0.012	4	118.5480	0.089	5	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-2:	N-3:	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]N[5a])(NCH)(OCo)	H(NCC)	N(CC[5a]O)(CCHH)(H)	C(C[5a]C[5a]N[5a])(NCH)(OCo)	H(NCC)	118.0440	0.000	1	118.0440	0.000	1	118.5480	0.089	5	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]N[6])(NCH)(OFe)	H(NCC)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]N[6])(NCH)(OFe)	H(NCC)	120.3538	2.034	4	120.3538	4.136	4	120.1035	3.000	6	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]N[6])(NCH)(OLi)	H(NCC)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]N[6])(NCH)(OLi)	H(NCC)	118.6430	0.000	1	118.6430	0.000	1	120.1035	3.000	6	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]O)(CH3)(H)	C(C[6]C[6]N[6])(NCH)(ORe)	H(NCC)	N(CC[6]O)(CH3)(H)	C(C[6]C[6]N[6])(NCH)(ORe)	H(NCC)	120.5630	0.000	1	120.5630	0.000	1	120.1035	3.000	6	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6]-3:N-3:S-2:	N-3:	N(CC[6]S)(CC3)(H)	C(C[6]C[6]N[6])(NCH)(SPt)	H(NCC)	N(CC[6]S)(CC3)(H)	C(C[6]C[6]N[6])(NCH)(SPt)	H(NCC)	116.8595	0.308	2	116.8595	0.095	2	118.2720	9.983	5	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6]-3:N-3:S-2:	N-3:	N(CC[6]S)(CCHH)(H)	C(C[6]C[6]N[6])(NCH)(SPd)	H(NCC)	N(CC[6]S)(CCHH)(H)	C(C[6]C[6]N[6])(NCH)(SPd)	H(NCC)	121.5345	0.933	2	121.5345	0.870	2	118.2720	9.983	5	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6]-3:N-3:S-2:	N-3:	N(CC[6]S)(CH3)(H)	C(C[6]C[6]2)(NCH)(SC)	H(NCC)	N(CC[6]S)(CH3)(H)	C(C[6]C[6]2)(NCH)(SC)	H(NCC)	114.5720	0.000	1	114.5720	0.000	1	118.2720	9.983	5	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NC)	H(NCC)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NC)	H(NCC)	116.6140	0.000	1	116.6140	0.000	1	117.2563	0.228	4	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NP)	H(NCC)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NP)	H(NCC)	117.1710	0.000	1	117.1710	0.000	1	117.2563	0.228	4	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(NC)	H(NCC)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6,6a]C[6a])(NCH)(NC)	H(NCC)	117.6200	0.030	2	117.6200	0.001	2	117.2563	0.228	4	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(OIr)	H(NCC)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(OIr)	H(NCC)	116.9395	0.733	2	116.9395	0.538	2	117.2055	1.023	8	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(OPd)	H(NCC)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(OPd)	H(NCC)	116.7350	0.061	2	116.7350	0.004	2	117.2055	1.023	8	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(ORu)	H(NCC)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(ORu)	H(NCC)	116.8310	0.000	1	116.8310	0.000	1	117.2055	1.023	8	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(OZn)	H(NCC)	N(CC[6a]O)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(OZn)	H(NCC)	116.1580	0.000	1	116.1580	0.000	1	117.2055	1.023	8	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(ORe)	H(NCC)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(ORe)	H(NCC)	118.1010	0.000	1	118.1010	0.000	1	117.2055	1.023	8	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(OPd)	H(NCC)	N(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(NCH)(OPd)	H(NCC)	119.2050	0.000	1	119.2050	0.000	1	117.2055	1.023	8	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:S-2:	N-3:	N(CC[6a]S)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(SPd)	H(NCC)	N(CC[6a]S)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(SPd)	H(NCC)	117.2480	0.614	2	117.2480	0.377	2	117.2480	0.377	2	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(CN[5a]N)(CCCH)(H)	C(N[5a]C[5a]2)(NCH)(NC)	H(NCC)	N(CN[5a]N)(CCCH)(H)	C(N[5a]C[5a]2)(NCH)(NC)	H(NCC)	119.5477	0.136	3	119.5477	0.018	3	119.5477	0.018	3	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:S-4:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(SClOO)(H)	C(C[6a]C[6a]2)(NHS)(NH)	H(NCS)	N(CC[6a]N)(SClOO)(H)	C(C[6a]C[6a]2)(NHS)(NH)	H(NCS)	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:Si-4:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(SiC3)(H)	C(C[6a]C[6a]2)(NSiH)(NSi)	H(NSiC)	N(CC[6a]N)(SiC3)(H)	C(C[6a]C[6a]2)(NSiH)(NSi)	H(NSiC)	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	117.9741	5.939	35	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:B-4:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(BF3)(H)	C(C[6a]N[6a]2)(NBH)(NHH)	H(NBC)	N(CC[6a]N)(BF3)(H)	C(C[6a]N[6a]2)(NBH)(NHH)	H(NBC)	114.4290	0.000	1	114.4290	0.000	1	114.4290	0.000	1	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	H(NCC)	N(CC[6a]C[5])(CCHH)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	H(NCC)	116.4757	1.991	3	116.4757	3.962	3	114.9428	4.579	6	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5])(CC[6a]CH)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	H(NCC)	N(CC[6a]C[5])(CC[6a]CH)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	H(NCC)	113.4100	0.661	3	113.4100	0.437	3	114.9428	4.579	6	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5a]-3:C[5]-3:N-3:	N-3:	N(CC[5a]C[5])(CCHH)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(NCH)	H(NCC)	N(CC[5a]C[5])(CCHH)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(NCH)	H(NCC)	110.5230	0.000	1	110.5230	0.000	1	113.1614	2.957	5	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5a]-3:C[5]-3:N-3:	N-3:	N(CC[5a]C[5])(CCHH)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NCH)	H(NCC)	N(CC[5a]C[5])(CCHH)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NCH)	H(NCC)	113.8210	1.021	4	113.8210	1.042	4	113.1614	2.957	5	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[5a]-3:C[6]-3:N-3:	N-3:	N(CC[5a]C[6])(CCHH)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(NCH)	H(NCC)	N(CC[5a]C[6])(CCHH)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(NCH)	H(NCC)	115.2030	1.720	2	115.2030	2.957	2	115.2030	2.957	2	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6]-3:C-3:N-3:	N-3:	N(CC[6]C)(CC3)(H)	C(C[6]C[6]2)(CCC)(NCH)	H(NCC)	N(CC[6]C)(CC3)(H)	C(C[6]C[6]2)(CCC)(NCH)	H(NCC)	113.0880	0.000	1	113.0880	0.000	1	113.0880	0.000	1	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[6])(CCHH)(H)	C(C[6]C[6]P[6])(C[6a]C[6a]2)(NCH)	H(NCC)	N(CC[6a]C[6])(CCHH)(H)	C(C[6]C[6]P[6])(C[6a]C[6a]2)(NCH)	H(NCC)	116.5280	0.000	1	116.5280	0.000	1	116.5280	0.000	1	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(CH3)(H)	C(C[6]C[6]2)(NCH)2	H(NCC)	N(CC[6]N)(CH3)(H)	C(C[6]C[6]2)(NCH)2	H(NCC)	115.2105	0.296	2	115.2105	0.088	2	115.2105	0.088	2	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	H(NCC)	N(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	H(NCC)	115.7265	0.077	2	115.7265	0.006	2	115.5355	4.567	6	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	112.3640	0.000	1	112.3640	0.000	1	115.5355	4.567	6	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(NCC)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(NCC)	117.2745	2.485	2	117.2745	6.178	2	115.5355	4.567	6	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCS)(NCH)	H(NCC)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCS)(NCH)	H(NCC)	114.8470	0.000	1	114.8470	0.000	1	115.5355	4.567	6	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[5]-3:N-3:	N-3:	N(CC[6a]C[5])(CCCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	H(NCC)	N(CC[6a]C[5])(CCCH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	H(NCC)	115.8447	1.032	6	115.8447	1.066	6	115.7148	1.209	15	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[5]-3:N-3:	N-3:	N(CC[6a]C[5])(CCHH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	H(NCC)	N(CC[6a]C[5])(CCHH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	H(NCC)	115.7538	1.159	5	115.7538	1.343	5	115.7148	1.209	15	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[5]-3:N-3:	N-3:	N(CC[6a]C[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	H(NCC)	N(CC[6a]C[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	H(NCC)	115.4712	1.400	4	115.4712	1.960	4	115.7148	1.209	15	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6]-3:N-3:	N-3:	N(CC[6a]C[6])(CCCH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	H(NCC)	N(CC[6a]C[6])(CCCH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	H(NCC)	109.8655	1.976	2	109.8655	3.906	2	111.6268	5.480	4	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6]-3:N-3:	N-3:	N(CC[6a]C[6])(CCHH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	H(NCC)	N(CC[6a]C[6])(CCHH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	H(NCC)	113.1380	0.000	1	113.1380	0.000	1	111.6268	5.480	4	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6]-3:N-3:	N-3:	N(CC[6a]C[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	H(NCC)	N(CC[6a]C[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	H(NCC)	113.6380	0.000	1	113.6380	0.000	1	111.6268	5.480	4	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]2)(CC3)(H)	C(C[6a]C[6a]2)2(NCH)	H(NCC)	N(CC[6a]2)(CC3)(H)	C(C[6a]C[6a]2)2(NCH)	H(NCC)	117.8205	2.512	2	117.8205	6.312	2	117.7742	2.117	4	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(NCH)	H(NCC)	N(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(NCH)	H(NCC)	117.7280	0.178	2	117.7280	0.032	2	117.7742	2.117	4	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NHH)	H(NCC)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NHH)	H(NCC)	115.4170	0.000	1	115.4170	0.000	1	115.9291	4.414	19	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)2	H(NCC)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)2	H(NCC)	114.4065	0.179	2	114.4065	0.032	2	115.9291	4.414	19	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NHfSi)(NCH)	H(NCC)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NHfSi)(NCH)	H(NCC)	113.1040	0.000	1	113.1040	0.000	1	115.9291	4.414	19	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NSiTh)(NCH)	H(NCC)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NSiTh)(NCH)	H(NCC)	114.1720	0.000	1	114.1720	0.000	1	115.9291	4.414	19	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(NHH)	H(NCC)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(NHH)	H(NCC)	117.0870	0.000	1	117.0870	0.000	1	115.9291	4.414	19	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)2	H(NCC)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)2	H(NCC)	115.9790	3.196	6	115.9790	10.215	6	115.9291	4.414	19	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)2	H(NCC)	N(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)2	H(NCC)	117.0143	0.886	6	117.0143	0.785	6	115.9291	4.414	19	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NPtH)(NCH)	H(NCC)	N(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NPtH)(NCH)	H(NCC)	116.0990	0.000	1	116.0990	0.000	1	115.9291	4.414	19	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:N[4]-3:N-3:	N-3:	N(CC[6a]N[4])(CC3)(H)	C(C[6a]C[6a]2)(N[4]Ga[4]2)(NCH)	H(NCC)	N(CC[6a]N[4])(CC3)(H)	C(C[6a]C[6a]2)(N[4]Ga[4]2)(NCH)	H(NCC)	117.4490	0.000	1	117.4490	0.000	1	117.4490	0.000	1	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	N[6a]-3:N-3:N-3:	N-3:	N(CN[6a]N)(CCHH)(H)	C(N[6a]C[6a]N[6a])(NCH)2	H(NCC)	N(CN[6a]N)(CCHH)(H)	C(N[6a]C[6a]N[6a])(NCH)2	H(NCC)	117.6785	2.551	2	117.6785	6.505	2	117.6785	6.505	2	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:S-4:H-1:	C[5a]-3:C[5]-3:N-3:	N-3:	N(CC[5a]C[5])(SC[6a]OO)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(NHS)	H(NCS)	N(CC[5a]C[5])(SC[6a]OO)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(NHS)	H(NCS)	116.2290	0.000	1	116.2290	0.000	1	116.2290	0.000	1	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:Si-4:H-1:	C[5]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5])(SiC3)(H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(NSiH)	H(NSiC)	N(CC[6a]C[5])(SiC3)(H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(NSiH)	H(NSiC)	114.7940	0.000	1	114.7940	0.000	1	114.7940	0.000	1	115.3994	4.605	71	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5]-3:C-4:N-3:	N-3:	N(CC[5]C)(CCCH)(H)	C(C[5]C[5]2)(CH3)(NCH)	H(NCC)	N(CC[5]C)(CCCH)(H)	C(C[5]C[5]2)(CH3)(NCH)	H(NCC)	116.1830	0.000	1	116.1830	0.000	1	117.0767	2.396	3	114.0642	11.744	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5]-3:C-4:N-3:	N-3:	N(CC[5]C)(CCHH)(H)	C(C[5]C[5]2)(CCHH)(NCH)	H(NCC)	N(CC[5]C)(CCHH)(H)	C(C[5]C[5]2)(CCHH)(NCH)	H(NCC)	118.8640	0.000	1	118.8640	0.000	1	117.0767	2.396	3	114.0642	11.744	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[5]-3:C-4:N-3:	N-3:	N(CC[5]C)(CCHH)(H)	C(C[5]C[5]2)(CH3)(NCH)	H(NCC)	N(CC[5]C)(CCHH)(H)	C(C[5]C[5]2)(CH3)(NCH)	H(NCC)	116.1830	0.000	1	116.1830	0.000	1	117.0767	2.396	3	114.0642	11.744	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6]-3:C-4:N-3:	N-3:	N(CC[6]C)(CCHH)(H)	C(C[6]C[6]2)(CH3)(NCH)	H(NCC)	N(CC[6]C)(CCHH)(H)	C(C[6]C[6]2)(CH3)(NCH)	H(NCC)	115.0137	2.278	10	115.0137	5.187	10	113.4013	12.283	15	114.0642	11.744	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6]-3:C-4:N-3:	N-3:	N(CC[6]C)(CCHH)(H)	C(C[6]C[6]P[6])(CH3)(NCH)	H(NCC)	N(CC[6]C)(CCHH)(H)	C(C[6]C[6]P[6])(CH3)(NCH)	H(NCC)	113.4080	2.357	2	113.4080	5.558	2	113.4013	12.283	15	114.0642	11.744	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6]-3:C-4:N-3:	N-3:	N(CC[6]C)(CH3)(H)	C(C[6]C[6]2)(CH3)(NCH)	H(NCC)	N(CC[6]C)(CH3)(H)	C(C[6]C[6]2)(CH3)(NCH)	H(NCC)	108.0223	1.860	3	108.0223	3.459	3	113.4013	12.283	15	114.0642	11.744	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	3:4:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-4:N-3:	N-3:	N(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CBHH)(NCH)	H(NCC)	N(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CBHH)(NCH)	H(NCC)	114.9700	0.000	1	114.9700	0.000	1	114.9700	0.000	1	114.0642	11.744	19	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3,4,5]-4:N-3:O-1:	N-3:	N(CC[3,4,5]O)(CC3)(H)	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NCH)(O)	H(NCC)	N(CC[3,4,5]O)(CC3)(H)	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NCH)(O)	H(NCC)	116.6128	1.463	4	116.6128	2.141	4	116.2196	1.840	8	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3,4,5]-4:N-3:O-1:	N-3:	N(CC[3,4,5]O)(CCCH)(H)	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NCH)(O)	H(NCC)	N(CC[3,4,5]O)(CCCH)(H)	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NCH)(O)	H(NCC)	115.8265	1.319	4	115.8265	1.741	4	116.2196	1.840	8	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3,5,5]-4:N-3:O-1:	N-3:	N(CC[3,5,5]O)(CH3)(H)	C(C[3,5,5]C[3,5]2C[5,5])(NCH)(O)	H(NCC)	N(CC[3,5,5]O)(CH3)(H)	C(C[3,5,5]C[3,5]2C[5,5])(NCH)(O)	H(NCC)	123.2390	0.000	1	123.2390	0.000	1	123.2390	0.000	1	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(CC3)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	N(CC[3]O)(CC3)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	117.0600	0.673	3	117.0600	0.453	3	119.5868	11.439	32	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2C)(NCH)(O)	H(NCC)	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2C)(NCH)(O)	H(NCC)	113.6095	3.915	2	113.6095	15.329	2	119.5868	11.439	32	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	118.7825	2.411	2	118.7825	5.811	2	119.5868	11.439	32	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2N)(NCH)(O)	H(NCC)	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2N)(NCH)(O)	H(NCC)	121.8853	2.453	15	121.8853	6.015	15	119.5868	11.439	32	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]N[3]H)(NCH)(O)	H(NCC)	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]N[3]H)(NCH)(O)	H(NCC)	118.1435	0.283	4	118.1435	0.080	4	119.5868	11.439	32	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(CCHH)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	N(CC[3]O)(CCHH)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	121.9760	0.000	1	121.9760	0.000	1	119.5868	11.439	32	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(CCHH)(H)	C(C[3]C[3]2O)(NCH)(O)	H(NCC)	N(CC[3]O)(CCHH)(H)	C(C[3]C[3]2O)(NCH)(O)	H(NCC)	115.8810	0.000	1	115.8810	0.000	1	119.5868	11.439	32	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(CH3)(H)	C(C[3]C[3,5]C[3]H)(NCH)(O)	H(NCC)	N(CC[3]O)(CH3)(H)	C(C[3]C[3,5]C[3]H)(NCH)(O)	H(NCC)	120.7965	2.132	2	120.7965	4.545	2	119.5868	11.439	32	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(CH3)(H)	C(C[3]C[3]2N)(NCH)(O)	H(NCC)	N(CC[3]O)(CH3)(H)	C(C[3]C[3]2N)(NCH)(O)	H(NCC)	115.2550	2.042	2	115.2550	4.170	2	119.5868	11.439	32	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3x4,3x6]-4:N-3:O-1:	N-3:	N(CC[3x4,3x6]O)(CCHH)(H)	C(C[3x4,3x6]C[3x4,3x6]3)(NCH)(O)	H(NCC)	N(CC[3x4,3x6]O)(CCHH)(H)	C(C[3x4,3x6]C[3x4,3x6]3)(NCH)(O)	H(NCC)	122.4960	0.000	1	122.4960	0.000	1	122.4960	0.000	1	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3x6]-4:N-3:O-1:	N-3:	N(CC[3x6]O)(CCCH)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	H(NCC)	N(CC[3x6]O)(CCCH)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	H(NCC)	118.5010	0.000	1	118.5010	0.000	1	120.2717	2.258	4	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3x6]-4:N-3:O-1:	N-3:	N(CC[3x6]O)(CCHH)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	H(NCC)	N(CC[3x6]O)(CCHH)(H)	C(C[3x6]C[6,6]3)(NCH)(O)	H(NCC)	120.8620	1.139	3	120.8620	1.296	3	120.2717	2.258	4	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4,5,6]-4:N-3:O-1:	N-3:	N(CC[4,5,6]O)(CCHH)(H)	C(C[4,5,6]C[4,5]C[4,6]N[5,6])(NCH)(O)	H(NCC)	N(CC[4,5,6]O)(CCHH)(H)	C(C[4,5,6]C[4,5]C[4,6]N[5,6])(NCH)(O)	H(NCC)	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4,6]-4:N-3:O-1:	N-3:	N(CC[4,6]O)(CCCH)(H)	C(C[4,6]C[4,6]2O[6])(NCH)(O)	H(NCC)	N(CC[4,6]O)(CCCH)(H)	C(C[4,6]C[4,6]2O[6])(NCH)(O)	H(NCC)	119.2448	0.725	6	119.2448	0.526	6	119.2448	0.526	6	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[4]O)(CC3)(H)	C(C[4]C[4]2O)(NCH)(O)	H(NCC)	N(CC[4]O)(CC3)(H)	C(C[4]C[4]2O)(NCH)(O)	H(NCC)	118.4420	0.000	1	118.4420	0.000	1	119.1861	2.235	18	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[4]O)(CCCH)(H)	C(C[4]C[4]2C)(NCH)(O)	H(NCC)	N(CC[4]O)(CCCH)(H)	C(C[4]C[4]2C)(NCH)(O)	H(NCC)	118.9710	0.628	2	118.9710	0.394	2	119.1861	2.235	18	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[4]O)(CCCH)(H)	C(C[4]C[4]2N)(NCH)(O)	H(NCC)	N(CC[4]O)(CCCH)(H)	C(C[4]C[4]2N)(NCH)(O)	H(NCC)	120.2925	3.042	4	120.2925	9.255	4	119.1861	2.235	18	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[4]O)(CCCH)(H)	C(C[4]C[4]N[4]C)(NCH)(O)	H(NCC)	N(CC[4]O)(CCCH)(H)	C(C[4]C[4]N[4]C)(NCH)(O)	H(NCC)	119.1800	0.191	2	119.1800	0.036	2	119.1861	2.235	18	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[4]O)(CCHH)(H)	C(C[4]C[4]2H)(NCH)(O)	H(NCC)	N(CC[4]O)(CCHH)(H)	C(C[4]C[4]2H)(NCH)(O)	H(NCC)	119.3825	0.453	2	119.3825	0.205	2	119.1861	2.235	18	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[4]O)(CCHH)(H)	C(C[4]C[4]2N[5])(NCH)(O)	H(NCC)	N(CC[4]O)(CCHH)(H)	C(C[4]C[4]2N[5])(NCH)(O)	H(NCC)	118.5600	0.000	1	118.5600	0.000	1	119.1861	2.235	18	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[4]O)(CCHH)(H)	C(C[4]N[6,6]C[4]2)(NCH)(O)	H(NCC)	N(CC[4]O)(CCHH)(H)	C(C[4]N[6,6]C[4]2)(NCH)(O)	H(NCC)	118.3400	0.000	1	118.3400	0.000	1	119.1861	2.235	18	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[4]O)(CH3)(H)	C(C[4]C[4]2N)(NCH)(O)	H(NCC)	N(CC[4]O)(CH3)(H)	C(C[4]C[4]2N)(NCH)(O)	H(NCC)	118.7542	0.696	5	118.7542	0.485	5	119.1861	2.235	18	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[4x6]-4:N-3:O-1:	N-3:	N(CC[4x6]O)(CCHH)(H)	C(C[4x6]C[4x6]2C[6,6])(NCH)(O)	H(NCC)	N(CC[4x6]O)(CCHH)(H)	C(C[4x6]C[4x6]2C[6,6])(NCH)(O)	H(NCC)	118.7310	0.000	1	118.7310	0.000	1	118.7310	0.000	1	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,5,6]-4:N-3:O-1:	N-3:	N(CC[5,5,6]O)(CCCH)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NCH)(O)	H(NCC)	N(CC[5,5,6]O)(CCCH)(H)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NCH)(O)	H(NCC)	114.5850	0.000	1	114.5850	0.000	1	117.9723	2.428	10	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,5,6]-4:N-3:O-1:	N-3:	N(CC[5,5,6]O)(CCCH)(H)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NCH)(O)	H(NCC)	N(CC[5,5,6]O)(CCCH)(H)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NCH)(O)	H(NCC)	119.3000	0.000	1	119.3000	0.000	1	117.9723	2.428	10	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,5,6]-4:N-3:O-1:	N-3:	N(CC[5,5,6]O)(CCHH)(H)	C(C[5,5,6]C[5,6]2N[5,5])(NCH)(O)	H(NCC)	N(CC[5,5,6]O)(CCHH)(H)	C(C[5,5,6]C[5,6]2N[5,5])(NCH)(O)	H(NCC)	118.1321	1.122	7	118.1321	1.258	7	117.9723	2.428	10	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,5,6]-4:N-3:O-1:	N-3:	N(CC[5,5,6]O)(CC[6a]CH)(H)	C(C[5,5,6]C[5,5]C[5,6]2)(NCH)(O)	H(NCC)	N(CC[5,5,6]O)(CC[6a]CH)(H)	C(C[5,5,6]C[5,5]C[5,6]2)(NCH)(O)	H(NCC)	118.9130	0.000	1	118.9130	0.000	1	117.9723	2.428	10	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,5]-4:N-3:O-1:	N-3:	N(CC[5,5]O)(CC3)(H)	C(C[5,5]C[5,6a]N[5,5]C[5])(NCH)(O)	H(NCC)	N(CC[5,5]O)(CC3)(H)	C(C[5,5]C[5,6a]N[5,5]C[5])(NCH)(O)	H(NCC)	120.4920	0.000	1	120.4920	0.000	1	117.7927	8.105	3	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,5]-4:N-3:O-1:	N-3:	N(CC[5,5]O)(CH3)(H)	C(C[5,5]C[5,5]C[5]2)(NCH)(O)	H(NCC)	N(CC[5,5]O)(CH3)(H)	C(C[5,5]C[5,5]C[5]2)(NCH)(O)	H(NCC)	116.4430	2.298	2	116.4430	5.281	2	117.7927	8.105	3	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[5,6]O)(CC3)(H)	C(C[5,6]C[5,5,6]N[5,5,6]H)(NCH)(O)	H(NCC)	N(CC[5,6]O)(CC3)(H)	C(C[5,6]C[5,5,6]N[5,5,6]H)(NCH)(O)	H(NCC)	114.9940	0.000	1	114.9940	0.000	1	118.7087	1.409	15	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[5,6]O)(CC3)(H)	C(C[5,6]C[5,6a]C[5,6]N[6])(NCH)(O)	H(NCC)	N(CC[5,6]O)(CC3)(H)	C(C[5,6]C[5,6a]C[5,6]N[6])(NCH)(O)	H(NCC)	117.7370	0.000	1	117.7370	0.000	1	118.7087	1.409	15	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[5,6]O)(CC3)(H)	C(C[5,6]C[5,6a]N[5,6]C[6])(NCH)(O)	H(NCC)	N(CC[5,6]O)(CC3)(H)	C(C[5,6]C[5,6a]N[5,6]C[6])(NCH)(O)	H(NCC)	119.7430	0.000	1	119.7430	0.000	1	118.7087	1.409	15	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[5,6]O)(CCCH)(H)	C(C[5,6]C[5,5,6]C[5,6]N)(NCH)(O)	H(NCC)	N(CC[5,6]O)(CCCH)(H)	C(C[5,6]C[5,5,6]C[5,6]N)(NCH)(O)	H(NCC)	119.9570	0.000	1	119.9570	0.000	1	118.7087	1.409	15	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[5,6]O)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]S)(NCH)(O)	H(NCC)	N(CC[5,6]O)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]S)(NCH)(O)	H(NCC)	118.5950	0.000	1	118.5950	0.000	1	118.7087	1.409	15	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[5,6]O)(CCHH)(H)	C(C[5,6]C[5,6]2C[5])(NCH)(O)	H(NCC)	N(CC[5,6]O)(CCHH)(H)	C(C[5,6]C[5,6]2C[5])(NCH)(O)	H(NCC)	118.9360	0.000	1	118.9360	0.000	1	118.7087	1.409	15	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[5,6]O)(CCHH)(H)	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	H(NCC)	N(CC[5,6]O)(CCHH)(H)	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	H(NCC)	118.7653	0.641	4	118.7653	0.410	4	118.7087	1.409	15	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[5,6]O)(CH3)(H)	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	H(NCC)	N(CC[5,6]O)(CH3)(H)	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	H(NCC)	119.1216	0.220	5	119.1216	0.049	5	118.7087	1.409	15	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5,5,6]N[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,5,6]N[5]H)(NCH)(O)	H(NCC)	117.2975	0.282	2	117.2975	0.080	2	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6,6]N[5,5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6,6]N[5,5]H)(NCH)(O)	H(NCC)	116.5820	0.000	1	116.5820	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6]C[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6]C[5]H)(NCH)(O)	H(NCC)	117.2065	0.532	2	117.2065	0.284	2	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6]C[5]Mo)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6]C[5]Mo)(NCH)(O)	H(NCC)	121.1200	0.000	1	121.1200	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6a]C[5]N[4])(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6a]C[5]N[4])(NCH)(O)	H(NCC)	115.6280	0.000	1	115.6280	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6a]N[5,6a]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6a]N[5,6a]H)(NCH)(O)	H(NCC)	116.9790	0.000	1	116.9790	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6a]N[5]O)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5,6a]N[5]O)(NCH)(O)	H(NCC)	116.7240	0.840	2	116.7240	0.706	2	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2C)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2C)(NCH)(O)	H(NCC)	116.6950	0.000	1	116.6950	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	117.9665	1.349	4	117.9665	1.819	4	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	118.4946	0.593	18	118.4946	0.352	18	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2Mo)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2Mo)(NCH)(O)	H(NCC)	117.3770	0.031	2	117.3770	0.001	2	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2O)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2O)(NCH)(O)	H(NCC)	116.2220	0.000	1	116.2220	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2Ru)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]2Ru)(NCH)(O)	H(NCC)	118.8860	0.000	1	118.8860	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	H(NCC)	118.2240	0.153	2	118.2240	0.023	2	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	118.0721	1.061	22	118.0721	1.126	22	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	H(NCC)	117.5300	0.413	2	117.5300	0.171	2	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[6a]C[5]2)(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[6a]C[5]2)(NCH)(O)	H(NCC)	116.4770	0.000	1	116.4770	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CC3)(H)	C(C[5]C[6a]C[5]N[5])(NCH)(O)	H(NCC)	N(CC[5]O)(CC3)(H)	C(C[5]C[6a]C[5]N[5])(NCH)(O)	H(NCC)	116.7140	2.926	3	116.7140	8.560	3	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCCH)(H)	C(C[5]C[5,6a]C[6a]C[5])(NCH)(O)	H(NCC)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5,6a]C[6a]C[5])(NCH)(O)	H(NCC)	117.9820	0.000	1	117.9820	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	119.5004	1.812	45	119.5004	3.282	45	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	119.2199	1.118	10	119.2199	1.251	10	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2N)(NCH)(O)	H(NCC)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2N)(NCH)(O)	H(NCC)	119.3732	1.440	25	119.3732	2.072	25	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2Ru)(NCH)(O)	H(NCC)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2Ru)(NCH)(O)	H(NCC)	118.3183	1.079	4	118.3183	1.164	4	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	118.7659	2.316	56	118.7659	5.365	56	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]O[5]C)(NCH)(O)	H(NCC)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]O[5]C)(NCH)(O)	H(NCC)	121.4080	0.000	1	121.4080	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(NCH)(O)	H(NCC)	119.5700	0.000	1	119.5700	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	120.0992	4.228	38	120.0992	17.876	38	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	119.0400	0.000	1	119.0400	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2Re)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2Re)(NCH)(O)	H(NCC)	120.8688	3.548	6	120.8688	12.587	6	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	H(NCC)	124.8880	0.000	1	124.8880	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	119.2086	1.072	27	119.2086	1.149	27	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]O[5]O)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]O[5]O)(NCH)(O)	H(NCC)	118.8510	0.000	1	118.8510	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[6a]C[5]2)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[6a]C[5]2)(NCH)(O)	H(NCC)	119.7525	1.800	2	119.7525	3.239	2	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(NCH)(O)	H(NCC)	120.8270	0.000	1	120.8270	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCHN)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHN)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	118.4200	0.000	1	118.4200	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CH3)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	124.7587	5.878	4	124.7587	34.547	4	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CH3)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	H(NCC)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	H(NCC)	121.0010	0.000	1	121.0010	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	119.7562	1.440	5	119.7562	2.072	5	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	H(NCC)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	H(NCC)	115.9480	0.000	1	115.9480	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CH3)(H)	C(C[5]C[5]O[5]N)(NCH)(O)	H(NCC)	N(CC[5]O)(CH3)(H)	C(C[5]C[5]O[5]N)(NCH)(O)	H(NCC)	116.4810	0.000	1	116.4810	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CHHS)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	N(CC[5]O)(CHHS)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	117.5350	0.000	1	117.5350	0.000	1	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CHHS)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	N(CC[5]O)(CHHS)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	118.9455	0.425	2	118.9455	0.181	2	119.1181	6.083	303	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:S-1:	N-3:	N(CC[5]S)(CC3)(H)	C(C[5]C[5]N[5]H)(NCH)(S)	H(NCC)	N(CC[5]S)(CC3)(H)	C(C[5]C[5]N[5]H)(NCH)(S)	H(NCC)	116.5845	0.272	2	116.5845	0.074	2	116.8992	0.105	5	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:S-1:	N-3:	N(CC[5]S)(CCHH)(H)	C(C[5]C[5]2Fe)(NCH)(S)	H(NCC)	N(CC[5]S)(CCHH)(H)	C(C[5]C[5]2Fe)(NCH)(S)	H(NCC)	117.1090	0.090	3	117.1090	0.008	3	116.8992	0.105	5	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6,6]-4:N-3:O-1:	N-3:	N(CC[6,6]O)(CC3)(H)	C(C[6,6]C[3x6]2N)(NCH)(O)	H(NCC)	N(CC[6,6]O)(CC3)(H)	C(C[6,6]C[3x6]2N)(NCH)(O)	H(NCC)	114.9010	0.000	1	114.9010	0.000	1	118.7929	3.682	7	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6,6]-4:N-3:O-1:	N-3:	N(CC[6,6]O)(CCCH)(H)	C(C[6,6]C[3x6]2N)(NCH)(O)	H(NCC)	N(CC[6,6]O)(CCCH)(H)	C(C[6,6]C[3x6]2N)(NCH)(O)	H(NCC)	118.7303	0.061	3	118.7303	0.004	3	118.7929	3.682	7	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6,6]-4:N-3:O-1:	N-3:	N(CC[6,6]O)(CCCH)(H)	C(C[6,6]C[3x6]C[6,6]H)(NCH)(O)	H(NCC)	N(CC[6,6]O)(CCCH)(H)	C(C[6,6]C[3x6]C[6,6]H)(NCH)(O)	H(NCC)	120.1527	0.830	3	120.1527	0.689	3	118.7929	3.682	7	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[3,6]N[5,6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[3,6]N[5,6]H)(NCH)(O)	H(NCC)	115.9170	0.525	2	115.9170	0.275	2	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[3,6]N[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[3,6]N[6]H)(NCH)(O)	H(NCC)	115.7405	0.047	2	115.7405	0.002	2	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[5,5,6,6]N[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[5,5,6,6]N[6]H)(NCH)(O)	H(NCC)	117.8140	0.000	1	117.8140	0.000	1	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[5a,6]N[5,6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[5a,6]N[5,6]H)(NCH)(O)	H(NCC)	116.9065	0.374	2	116.9065	0.140	2	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[6,6a]C[6]H)(NCH)(O)	H(NCC)	119.5850	0.000	1	119.5850	0.000	1	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[6,6a]N[5,6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[6,6a]N[5,6]H)(NCH)(O)	H(NCC)	115.2755	2.341	2	115.2755	5.481	2	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[6,6a]N[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[6,6a]N[6]H)(NCH)(O)	H(NCC)	118.7970	0.000	1	118.7970	0.000	1	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[6]2C)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[6]2C)(NCH)(O)	H(NCC)	116.3840	0.180	2	116.3840	0.032	2	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[6]2N)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[6]2N)(NCH)(O)	H(NCC)	117.5434	1.718	5	117.5434	2.951	5	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[6]N[6]C)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[6]N[6]C)(NCH)(O)	H(NCC)	114.7570	1.456	3	114.7570	2.120	3	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CC3)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CC3)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	115.7790	2.595	6	115.7790	6.734	6	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6,6]C[6]H)(NCH)(O)	H(NCC)	121.2240	0.000	1	121.2240	0.000	1	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCCH)(H)	C(C[6]C[6,6a]N[6,6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6,6a]N[6,6]H)(NCH)(O)	H(NCC)	118.1520	0.000	1	118.1520	0.000	1	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(NCH)(O)	H(NCC)	118.2820	0.000	1	118.2820	0.000	1	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2C)(NCH)(O)	H(NCC)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2C)(NCH)(O)	H(NCC)	117.9750	0.000	1	117.9750	0.000	1	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	119.0835	1.469	22	119.0835	2.159	22	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2N)(NCH)(O)	H(NCC)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]2N)(NCH)(O)	H(NCC)	120.2650	1.164	6	120.2650	1.355	6	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	117.0285	1.515	2	117.0285	2.296	2	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2C)(NCH)(O)	H(NCC)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2C)(NCH)(O)	H(NCC)	115.7067	2.688	11	115.7067	7.227	11	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	119.5929	2.182	7	119.5929	4.760	7	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2O)(NCH)(O)	H(NCC)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2O)(NCH)(O)	H(NCC)	118.0925	0.667	4	118.0925	0.445	4	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	116.8893	3.779	3	116.8893	14.284	3	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CH3)(H)	C(C[6]C[6,6a]C[6]H)(NCH)(O)	H(NCC)	119.8250	0.000	1	119.8250	0.000	1	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CH3)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	N(CC[6]O)(CH3)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	117.6650	0.689	3	117.6650	0.475	3	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CH3)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	N(CC[6]O)(CH3)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	119.4375	0.443	2	119.4375	0.197	2	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(CH3)(H)	C(C[6]C[6]O[6]C)(NCH)(O)	H(NCC)	N(CC[6]O)(CH3)(H)	C(C[6]C[6]O[6]C)(NCH)(O)	H(NCC)	112.7613	6.093	3	112.7613	37.131	3	117.6565	6.917	95	118.7855	6.454	510	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:2:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-2:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2Fe)(NCH)(OPd)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2Fe)(NCH)(OPd)	H(NCC)	122.9137	2.747	3	122.9137	7.546	3	122.9137	7.546	3	122.9137	7.546	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	C[5,6]-4:N-3:N-3:	N-3:	N(CC[5,6]N)(CC3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NCH)2	H(NCC)	N(CC[5,6]N)(CC3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NCH)2	H(NCC)	115.7160	0.825	4	115.7160	0.680	4	115.5906	0.589	5	115.5906	0.589	5	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	4:3:3:	3:	C-3:C-4:H-1:	C[5,6]-4:N-3:N-3:	N-3:	N(CC[5,6]N)(CC3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]H)(NCH)	H(NCC)	N(CC[5,6]N)(CC3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]H)(NCH)	H(NCC)	115.0890	0.000	1	115.0890	0.000	1	115.5906	0.589	5	115.5906	0.589	5	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	5:3:3:	3:	C-3:C-4:H-1:	C[3x3,3x5,12x6]-5:N-3:N-3:	N-3:	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)2	H(NCC)	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)2	H(NCC)	113.7190	4.045	2	113.7190	16.359	2	113.7190	16.359	2	113.8593	4.161	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	5:3:3:	3:	C-3:C-4:H-1:	C[3x3,4,3x5,14x6]-5:N-3:N-3:	N-3:	N(CC[3x3,4,3x5,14x6]N)(CCCH)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NFeC)(NCH)	H(NCC)	N(CC[3x3,4,3x5,14x6]N)(CCCH)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NFeC)(NCH)	H(NCC)	114.2210	0.000	1	114.2210	0.000	1	113.3727	2.969	3	113.8593	4.161	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	5:3:3:	3:	C-3:C-4:H-1:	C[3x3,4,3x5,14x6]-5:N-3:N-3:	N-3:	N(CC[3x3,4,3x5,14x6]N)(CCCH)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NNiC)(NCH)	H(NCC)	N(CC[3x3,4,3x5,14x6]N)(CCCH)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NNiC)(NCH)	H(NCC)	112.9485	2.204	2	112.9485	4.858	2	113.3727	2.969	3	113.8593	4.161	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	5:3:3:	3:	C-3:C[6]-4:H-1:	C[3x3,3x5,12x6]-5:N-3:N-3:	N-3:	N(CC[3x3,3x5,12x6]N)(C[6]C[6]2H)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NC[6]H)2	H(NC[6]C)	N(CC[3x3,3x5,12x6]N)(C[6]C[6]2H)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NC[6]H)2	H(NC[6]C)	115.1405	1.456	2	115.1405	2.120	2	115.1405	2.120	2	113.8593	4.161	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	5:3:3:	3:	C-3:C[6]-4:H-1:	C[3x3,4,3x5,14x6]-5:N-3:N-3:	N-3:	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6]Ni)(NC[6]H)	H(NC[6]C)	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6]Ni)(NC[6]H)	H(NC[6]C)	113.0370	0.000	1	113.0370	0.000	1	113.0370	0.000	1	113.8593	4.161	8	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:1:	3:	C-3:C-4:H-1:	C[5x3,5x5,20x6]-6:N-3:O-1:	N-3:	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NCH)(O)	H(NCC)	N(CC[5x3,5x5,20x6]O)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NCH)(O)	H(NCC)	121.1324	2.572	7	121.1324	6.615	7	120.8026	6.540	8	120.3956	7.214	9	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:1:	3:	C-3:C-4:H-1:	C[5x3,5x5,20x6]-6:N-3:O-1:	N-3:	N(CC[5x3,5x5,20x6]O)(CCHH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(O)	H(NCC)	N(CC[5x3,5x5,20x6]O)(CCHH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(O)	H(NCC)	118.4940	0.000	1	118.4940	0.000	1	120.8026	6.540	8	120.3956	7.214	9	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:1:	3:	C-3:S-4:H-1:	C[5x3,5x5,20x6]-6:N-3:O-1:	N-3:	N(CC[5x3,5x5,20x6]O)(SC[6a]OO)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHS)(O)	H(NCS)	N(CC[5x3,5x5,20x6]O)(SC[6a]OO)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NHS)(O)	H(NCS)	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	120.3956	7.214	9	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:2:	3:	C-3:C-4:H-1:	C[5x3,5x5,20x6]-6:N-3:N-2:	N-3:	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(NC)	H(NCC)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCH)(NC)	H(NCC)	112.4440	0.000	1	112.4440	0.000	1	112.4440	0.000	1	112.4440	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:3:	3:	C-3:C-4:H-1:	C[3x3,3x5,12x6]-6:N-3:N-3:	N-3:	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ni)(NCH)2	H(NCC)	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ni)(NCH)2	H(NCC)	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	114.9399	16.708	15	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:3:	3:	C-3:C-4:H-1:	C[5x3,5x5,20x6]-6:N-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCoC)(NCH)	H(NCC)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCoC)(NCH)	H(NCC)	116.4838	6.845	4	116.4838	46.860	4	114.4477	17.775	11	114.9399	16.708	15	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:3:	3:	C-3:C-4:H-1:	C[5x3,5x5,20x6]-6:N-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCrC)(NCH)	H(NCC)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCrC)(NCH)	H(NCC)	112.3215	1.170	2	112.3215	1.370	2	114.4477	17.775	11	114.9399	16.708	15	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:3:	3:	C-3:C-4:H-1:	C[5x3,5x5,20x6]-6:N-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCuC)(NCH)	H(NCC)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NCuC)(NCH)	H(NCC)	115.9520	0.000	1	115.9520	0.000	1	114.4477	17.775	11	114.9399	16.708	15	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:3:	3:	C-3:C-4:H-1:	C[5x3,5x5,20x6]-6:N-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NLiC)(NCH)	H(NCC)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NLiC)(NCH)	H(NCC)	113.7680	0.000	1	113.7680	0.000	1	114.4477	17.775	11	114.9399	16.708	15	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:3:	3:	C-3:C-4:H-1:	C[5x3,5x5,20x6]-6:N-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSbC)(NCH)	H(NCC)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSbC)(NCH)	H(NCC)	112.8040	0.000	1	112.8040	0.000	1	114.4477	17.775	11	114.9399	16.708	15	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:3:	3:	C-3:C-4:H-1:	C[5x3,5x5,20x6]-6:N-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSnC)(NCH)	H(NCC)	N(CC[5x3,5x5,20x6]N)(CCCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NSnC)(NCH)	H(NCC)	112.9115	0.168	2	112.9115	0.028	2	114.4477	17.775	11	114.9399	16.708	15	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:3:	3:	C-3:C[6]-4:H-1:	C[5x3,5x5,20x6]-6:N-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Ni)(NC[6]H)	H(NC[6]C)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Ni)(NC[6]H)	H(NC[6]C)	122.1650	0.000	1	122.1650	0.000	1	116.8273	21.376	3	114.9399	16.708	15	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	3:4:1:	6:3:3:	3:	C-3:C[6]-4:H-1:	C[5x3,5x5,20x6]-6:N-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Sn)(NC[6]H)	H(NC[6]C)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Sn)(NC[6]H)	H(NC[6]C)	114.1585	0.125	2	114.1585	0.016	2	116.8273	21.376	3	114.9399	16.708	15	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:2:3:	3:	C-4:C-3:H-1:	N-2:N-2:N-3:	N-3:	N(CCHH)(CNN)(H)	C(NC[3])2(NCH)	H(NCC)	N(CCHH)(CNN)(H)	C(NC[3])2(NCH)	H(NCC)	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	118.6913	2.988	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:2:3:	3:	C-4:C-3:H-1:	N-2:O-2:N-3:	N-3:	N(CCCH)(CNO)(H)	C(NC[5a])(OC[6a])(NCH)	H(NCC)	N(CCCH)(CNO)(H)	C(NC[5a])(OC[6a])(NCH)	H(NCC)	118.6845	2.444	2	118.6845	5.975	2	118.6845	5.975	2	118.6913	2.988	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	N-2:N-3:H-1:	N-3:	N(CCHH)(CHN)(H)	C(NC[5a])(NCH)(H)	H(NCC)	N(CCHH)(CHN)(H)	C(NC[5a])(NCH)(H)	H(NCC)	117.5535	0.713	2	117.5535	0.509	2	117.5535	0.509	2	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	N-2:N-3:S-1:	N-3:	N(CH3)(CNS)(H)	C(NC[6])(NCH)(S)	H(NCC)	N(CH3)(CNS)(H)	C(NC[6])(NCH)(S)	H(NCC)	117.0890	0.000	1	117.0890	0.000	1	117.0890	0.000	1	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CCCH)(COO)(H)	C(OC[5])(NCH)(O)	H(NCC)	N(CCCH)(COO)(H)	C(OC[5])(NCH)(O)	H(NCC)	120.5870	2.174	2	120.5870	4.725	2	118.6958	3.155	33	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CCCH)(COO)(H)	C(OC[6a])(NCH)(O)	H(NCC)	N(CCCH)(COO)(H)	C(OC[6a])(NCH)(O)	H(NCC)	119.2280	0.000	1	119.2280	0.000	1	118.6958	3.155	33	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CCHH)(COO)(H)	C(OC[5])(NCH)(O)	H(NCC)	N(CCHH)(COO)(H)	C(OC[5])(NCH)(O)	H(NCC)	120.0300	0.457	2	120.0300	0.209	2	118.6958	3.155	33	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CCHH)(COO)(H)	C(OC[6])(NCH)(O)	H(NCC)	N(CCHH)(COO)(H)	C(OC[6])(NCH)(O)	H(NCC)	117.0742	3.113	6	117.0742	9.689	6	118.6958	3.155	33	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CCHH)(COO)(H)	C(OC[6a])(NCH)(O)	H(NCC)	N(CCHH)(COO)(H)	C(OC[6a])(NCH)(O)	H(NCC)	118.9520	0.908	11	118.9520	0.824	11	118.6958	3.155	33	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CCHH)(COO)(H)	C(ON[5])(NCH)(O)	H(NCC)	N(CCHH)(COO)(H)	C(ON[5])(NCH)(O)	H(NCC)	118.1720	0.000	1	118.1720	0.000	1	118.6958	3.155	33	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CC[6a]CH)(COO)(H)	C(OC[5])(NCH)(O)	H(NCC)	N(CC[6a]CH)(COO)(H)	C(OC[5])(NCH)(O)	H(NCC)	118.7880	0.000	1	118.7880	0.000	1	118.6958	3.155	33	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CC[6a]CH)(COO)(H)	C(OC[6])(NCH)(O)	H(NCC)	N(CC[6a]CH)(COO)(H)	C(OC[6])(NCH)(O)	H(NCC)	117.2530	0.000	1	117.2530	0.000	1	118.6958	3.155	33	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CC[6a]CH)(COO)(H)	C(OC[6a])(NCH)(O)	H(NCC)	N(CC[6a]CH)(COO)(H)	C(OC[6a])(NCH)(O)	H(NCC)	120.2570	0.000	1	120.2570	0.000	1	118.6958	3.155	33	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CH3)(COO)(H)	C(OC[6a])(NCH)(O)	H(NCC)	N(CH3)(COO)(H)	C(OC[6a])(NCH)(O)	H(NCC)	118.7301	1.083	7	118.7301	1.174	7	118.6958	3.155	33	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:1:	3:	C-4:C-3:H-1:	S-2:N-3:S-1:	N-3:	N(CC[6a]HH)(CSS)(H)	C(SC[5])(NCH)(S)	H(NCC)	N(CC[6a]HH)(CSS)(H)	C(SC[5])(NCH)(S)	H(NCC)	117.9170	0.000	1	117.9170	0.000	1	117.9170	0.000	1	118.5695	2.964	37	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	N-2:C-3:N-3:	N-3:	N(CCHH)(CCN)(H)	C(NC[6a])(CNN)(NCH)	H(NCC)	N(CCHH)(CCN)(H)	C(NC[6a])(CNN)(NCH)	H(NCC)	119.0250	0.911	2	119.0250	0.829	2	119.0250	0.829	2	115.9119	17.764	23	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	N-2:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[5])(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NC[5])(NCH)2	H(NCC)	119.0013	2.972	3	119.0013	8.831	3	115.8823	13.496	18	115.9119	17.764	23	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	N-2:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[6])(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NC[6])(NCH)2	H(NCC)	117.3520	1.424	2	117.3520	2.028	2	115.8823	13.496	18	115.9119	17.764	23	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	N-2:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)(NCP)	H(NCC)	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)(NCP)	H(NCC)	113.2300	0.000	1	113.2300	0.000	1	115.8823	13.496	18	115.9119	17.764	23	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	N-2:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)2	H(NCC)	114.8516	3.933	11	114.8516	15.466	11	115.8823	13.496	18	115.9119	17.764	23	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	N-2:N-3:N-3:	N-3:	N(CCHH)(CNN)(H)	C(NC[6a])(NCC)(NCH)	H(NCC)	N(CCHH)(CNN)(H)	C(NC[6a])(NCC)(NCH)	H(NCC)	117.5750	0.000	1	117.5750	0.000	1	115.8823	13.496	18	115.9119	17.764	23	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	S-2:N-3:N-3:	N-3:	N(CH3)(CNS)(H)	C(SC[5])(NCH)2	H(NCC)	N(CH3)(CNS)(H)	C(SC[5])(NCH)2	H(NCC)	118.1415	5.303	2	118.1415	28.118	2	114.0140	65.168	3	115.9119	17.764	23	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	S-2:N-3:N-3:	N-3:	N(CH3)(CNS)(H)	C(SIn[5,5])(NCH)(NHN)	H(NCC)	N(CH3)(CNS)(H)	C(SIn[5,5])(NCH)(NHN)	H(NCC)	105.7590	0.000	1	105.7590	0.000	1	114.0140	65.168	3	115.9119	17.764	23	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:4:3:	3:	C-4:C-3:H-1:	N-2:C-4:N-3:	N-3:	N(CC3)(CCN)(H)	C(NC[6a])(CZrNN)(NCH)	H(NCC)	N(CC3)(CCN)(H)	C(NC[6a])(CZrNN)(NCH)	H(NCC)	114.0100	0.000	1	114.0100	0.000	1	116.2972	3.445	6	116.2972	3.445	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:4:3:	3:	C-4:C-3:H-1:	N-2:C-4:N-3:	N-3:	N(CCHH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	H(NCC)	N(CCHH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	H(NCC)	116.7200	1.076	2	116.7200	1.158	2	116.2972	3.445	6	116.2972	3.445	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:4:3:	3:	C-4:C-3:H-1:	N-2:C-4:N-3:	N-3:	N(CC[5a]HH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	H(NCC)	N(CC[5a]HH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	H(NCC)	115.0870	0.000	1	115.0870	0.000	1	116.2972	3.445	6	116.2972	3.445	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	2:4:3:	3:	C-4:C-3:H-1:	N-2:C-4:N-3:	N-3:	N(CC[6a]CH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	H(NCC)	N(CC[6a]CH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	H(NCC)	117.6230	2.345	2	117.6230	5.498	2	116.2972	3.445	6	116.2972	3.445	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CC3)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CC3)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	117.2550	0.424	2	117.2550	0.180	2	118.4200	3.225	30	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CCCH)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CCCH)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	119.2720	0.000	1	119.2720	0.000	1	118.4200	3.225	30	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CCHH)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CCHH)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	118.5914	2.702	8	118.5914	7.298	8	118.4200	3.225	30	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CCHO)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CCHO)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	118.1130	2.557	2	118.1130	6.538	2	118.4200	3.225	30	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CC[6]CH)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CC[6]CH)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	118.6100	0.000	1	118.6100	0.000	1	118.4200	3.225	30	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CC[6a]2H)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CC[6a]2H)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	118.5460	0.370	3	118.5460	0.137	3	118.4200	3.225	30	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CC[6a]HH)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CC[6a]HH)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	117.9684	1.391	5	117.9684	1.935	5	118.4200	3.225	30	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CF3)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CF3)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	122.5880	0.000	1	122.5880	0.000	1	118.4200	3.225	30	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(CH3)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	N(CH3)(CHO)(H)	C(NCH)(H)(O)	H(NCC)	118.1690	0.905	7	118.1690	0.819	7	118.4200	3.225	30	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:H-1:S-1:	N-3:	N(CC[6a]HH)(CHS)(H)	C(NCH)(H)(S)	H(NCC)	N(CC[6a]HH)(CHS)(H)	C(NCH)(H)(S)	H(NCC)	115.9740	0.000	1	115.9740	0.000	1	115.9740	0.000	1	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:O-1:O-1:	N-3:	N(CC3)(COO)(H)	C(NCH)(O)2	H(NCC)	N(CC3)(COO)(H)	C(NCH)(O)2	H(NCC)	113.7265	0.125	2	113.7265	0.016	2	116.9286	2.637	14	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:O-1:O-1:	N-3:	N(CCHH)(COO)(H)	C(NCH)(O)2	H(NCC)	N(CCHH)(COO)(H)	C(NCH)(O)2	H(NCC)	117.7634	0.693	5	117.7634	0.480	5	116.9286	2.637	14	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:O-1:O-1:	N-3:	N(CC[5,5]HH)(COO)(H)	C(NCH)(O)2	H(NCC)	N(CC[5,5]HH)(COO)(H)	C(NCH)(O)2	H(NCC)	116.4850	0.612	4	116.4850	0.375	4	116.9286	2.637	14	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:O-1:O-1:	N-3:	N(CC[6]HH)(COO)(H)	C(NCH)(O)2	H(NCC)	N(CC[6]HH)(COO)(H)	C(NCH)(O)2	H(NCC)	118.8460	0.000	1	118.8460	0.000	1	116.9286	2.637	14	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:O-1:O-1:	N-3:	N(CC[6a]HH)(COO)(H)	C(NCH)(O)2	H(NCC)	N(CC[6a]HH)(COO)(H)	C(NCH)(O)2	H(NCC)	118.5110	0.000	1	118.5110	0.000	1	116.9286	2.637	14	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:O-1:O-1:	N-3:	N(CH3)(COO)(H)	C(NCH)(O)2	H(NCC)	N(CH3)(COO)(H)	C(NCH)(O)2	H(NCC)	117.4330	0.000	1	117.4330	0.000	1	116.9286	2.637	14	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C-4:C-3:H-1:	N-3:S-1:S-1:	N-3:	N(CCHH)(CSS)(H)	C(NCH)(S)2	H(NCC)	N(CCHH)(CSS)(H)	C(NCH)(S)2	H(NCC)	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C[5,5]-4:C-3:H-1:	N-3:O-1:O-1:	N-3:	N(C[5,5]C[3x5,6]C[5,5,6]H)(COO)(H)	C(NC[5,5]H)(O)2	H(NC[5,5]C)	N(C[5,5]C[3x5,6]C[5,5,6]H)(COO)(H)	C(NC[5,5]H)(O)2	H(NC[5,5]C)	119.2470	0.000	1	119.2470	0.000	1	119.2470	0.000	1	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[5]C[5,5]C[5]H)(CHO)(H)	C(NC[5]H)(H)(O)	H(NC[5]C)	N(C[5]C[5,5]C[5]H)(CHO)(H)	C(NC[5]H)(H)(O)	H(NC[5]C)	119.5410	0.000	1	119.5410	0.000	1	117.9530	5.043	2	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C[5]-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[5]C[5]2Fe)(CHO)(H)	C(NC[5]H)(H)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(CHO)(H)	C(NC[5]H)(H)(O)	H(NC[5]C)	116.3650	0.000	1	116.3650	0.000	1	117.9530	5.043	2	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C[6,6]-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[6,6]C[3x6]2C)(CHO)(H)	C(NC[6,6]H)(H)(O)	H(NC[6,6]C)	N(C[6,6]C[3x6]2C)(CHO)(H)	C(NC[6,6]H)(H)(O)	H(NC[6,6]C)	117.4857	1.449	4	117.4857	2.098	4	117.4857	2.098	4	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[6]C[5,6]C[6]H)(CHO)(H)	C(NC[6]H)(H)(O)	H(NC[6]C)	N(C[6]C[5,6]C[6]H)(CHO)(H)	C(NC[6]H)(H)(O)	H(NC[6]C)	118.3480	0.000	1	118.3480	0.000	1	118.2608	0.172	5	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[6]C[6]2C)(CHO)(H)	C(NC[6]H)(H)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CHO)(H)	C(NC[6]H)(H)(O)	H(NC[6]C)	117.7240	0.000	1	117.7240	0.000	1	118.2608	0.172	5	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[6]C[6]2H)(CHO)(H)	C(NC[6]H)(H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CHO)(H)	C(NC[6]H)(H)(O)	H(NC[6]C)	118.4107	0.403	3	118.4107	0.162	3	118.2608	0.172	5	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	C[6]-4:C-3:H-1:	N-3:O-1:O-1:	N-3:	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(O)2	H(NC[6]C)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(O)2	H(NC[6]C)	114.3830	0.000	1	114.3830	0.000	1	114.3830	0.000	1	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:1:1:	3:	N-4:C-3:H-1:	N-3:O-1:O-1:	N-3:	N(NH3)(COO)(H)	C(NHN)(O)2	H(NCN)	N(NH3)(COO)(H)	C(NHN)(O)2	H(NCN)	122.9400	0.000	1	122.9400	0.000	1	122.9400	0.000	1	117.9251	3.536	60	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:C-2:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(NCH)(CC)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(NCH)(CC)(O)	H(NCC)	119.1430	0.000	1	119.1430	0.000	1	119.1715	0.002	2	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:C-2:O-1:	N-3:	N(CH3)(CCO)(H)	C(NCH)(CC)(O)	H(NCC)	N(CH3)(CCO)(H)	C(NCH)(CC)(O)	H(NCC)	119.2000	0.000	1	119.2000	0.000	1	119.1715	0.002	2	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:H-1:	N-3:	N(CCCH)(CHN)(H)	C(NCH)(NC)(H)	H(NCC)	N(CCCH)(CHN)(H)	C(NCH)(NC)(H)	H(NCC)	116.4760	0.000	1	116.4760	0.000	1	116.4760	0.000	1	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NCH)(NC)(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NCH)(NC)(O)	H(NCC)	114.8800	0.000	1	114.8800	0.000	1	117.4838	3.436	11	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NCH)(NS)(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NCH)(NS)(O)	H(NCC)	118.9675	1.044	2	118.9675	1.091	2	117.4838	3.436	11	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)(NC)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)(NC)(O)	H(NCC)	115.8460	0.267	2	115.8460	0.071	2	117.4838	3.436	11	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)(NH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)(NH)(O)	H(NCC)	118.6610	0.000	1	118.6610	0.000	1	117.4838	3.436	11	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)(NN)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)(NN)(O)	H(NCC)	118.5830	2.551	2	118.5830	6.509	2	117.4838	3.436	11	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)(NS)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)(NS)(O)	H(NCC)	117.0030	2.372	2	117.0030	5.625	2	117.4838	3.436	11	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(CC[6a]HH)(CNO)(H)	C(NCH)(NC)(O)	H(NCC)	N(CC[6a]HH)(CNO)(H)	C(NCH)(NC)(O)	H(NCC)	117.9820	0.000	1	117.9820	0.000	1	117.4838	3.436	11	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NC)(S)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NC)(S)	H(NCC)	122.9840	0.000	1	122.9840	0.000	1	119.1286	5.098	5	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NN)(S)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NN)(S)	H(NCC)	117.9210	0.000	1	117.9210	0.000	1	119.1286	5.098	5	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(CC[6]HH)(CNS)(H)	C(NCH)(NC)(S)	H(NCC)	N(CC[6]HH)(CNS)(H)	C(NCH)(NC)(S)	H(NCC)	118.3400	0.000	1	118.3400	0.000	1	119.1286	5.098	5	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NN)(S)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NN)(S)	H(NCC)	117.2720	0.000	1	117.2720	0.000	1	119.1286	5.098	5	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:N-2:S-1:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NP)(S)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NP)(S)	H(NCC)	119.1260	0.000	1	119.1260	0.000	1	119.1286	5.098	5	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:H-1:	N-3:	N(CH3)(CHO)(H)	C(NCH)(OCo)(H)	H(NCC)	N(CH3)(CHO)(H)	C(NCH)(OCo)(H)	H(NCC)	118.7110	0.445	11	118.7110	0.198	11	118.4107	0.806	19	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:H-1:	N-3:	N(CH3)(CHO)(H)	C(NCH)(ONi)(H)	H(NCC)	N(CH3)(CHO)(H)	C(NCH)(ONi)(H)	H(NCC)	118.5578	0.712	6	118.5578	0.507	6	118.4107	0.806	19	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:H-1:	N-3:	N(CH3)(CHO)(H)	C(NCH)(OZn)(H)	H(NCC)	N(CH3)(CHO)(H)	C(NCH)(OZn)(H)	H(NCC)	116.3180	0.321	2	116.3180	0.103	2	118.4107	0.806	19	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC3)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC3)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.9890	2.231	42	118.9890	4.977	42	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	119.2032	2.444	378	119.2032	5.973	378	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCCP)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCCP)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.0850	1.008	2	118.0850	1.017	2	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	119.2484	1.806	118	119.2484	3.262	118	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCHH)(COO)(H)	C(NCH)(ON)(O)	H(NCC)	N(CCHH)(COO)(H)	C(NCH)(ON)(O)	H(NCC)	119.3405	1.220	2	119.3405	1.488	2	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCHH)(COO)(H)	C(NCH)(OPt)(O)	H(NCC)	N(CCHH)(COO)(H)	C(NCH)(OPt)(O)	H(NCC)	118.7744	0.178	5	118.7744	0.032	5	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCHN)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCHN)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.6130	0.000	1	118.6130	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCHO)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCHO)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.8850	0.000	1	118.8850	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCHP)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCHP)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	119.8870	0.000	1	119.8870	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCHS)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCHS)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.8310	0.000	1	118.8310	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[3]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[3]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.8715	1.895	6	118.8715	3.589	6	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[3x6]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[3x6]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.8117	0.487	3	118.8117	0.237	3	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[4]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[4]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.3888	1.679	6	118.3888	2.818	6	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[4]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[4]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.0435	1.719	2	118.0435	2.955	2	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[5,6]C[6a]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[5,6]C[6a]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	116.0460	0.000	1	116.0460	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[5]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[5]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.9029	1.397	11	117.9029	1.952	11	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[5]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[5]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.9597	1.048	11	117.9597	1.098	11	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[5]HS)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[5]HS)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.2050	0.000	1	117.2050	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[5a]CC)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[5a]CC)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	116.0490	0.000	1	116.0490	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[5a]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[5a]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.7673	1.738	6	118.7673	3.022	6	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[5a]C[6a]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[5a]C[6a]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	119.8370	0.000	1	119.8370	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[5a]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[5a]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.8540	0.912	4	118.8540	0.832	4	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6,6]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6,6]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.6290	0.000	1	118.6290	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	119.5472	0.977	5	119.5472	0.955	5	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.5917	1.792	10	117.5917	3.211	10	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]2H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]2H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.4980	0.000	1	118.4980	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]CC)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]CC)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	116.9656	1.202	7	116.9656	1.445	7	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	119.3300	1.744	56	119.3300	3.043	56	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]CP)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]CP)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.3990	0.000	1	118.3990	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]CS)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]CS)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	116.8470	0.000	1	116.8470	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]C[3]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]C[3]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	120.9500	1.918	2	120.9500	3.677	2	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]C[5]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]C[5]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.6625	2.439	27	118.6625	5.948	27	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]C[6]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]C[6]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.7264	1.432	5	118.7264	2.051	5	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]HH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	119.2168	0.926	5	119.2168	0.857	5	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]HO)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]HO)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.8000	0.000	1	118.8000	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]HS)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]HS)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.9990	0.000	1	118.9990	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]N[5]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]N[5]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	120.9520	2.260	2	120.9520	5.107	2	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CH3)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CH3)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	118.9840	0.000	1	118.9840	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CH3)(COO)(H)	C(NCH)(ON)(O)	H(NCC)	N(CH3)(COO)(H)	C(NCH)(ON)(O)	H(NCC)	119.6583	0.097	3	119.6583	0.009	3	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CN[3]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CN[3]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	119.2180	0.000	1	119.2180	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CN[5]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CN[5]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	123.8440	0.000	1	123.8440	0.000	1	119.0800	4.749	735	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:S-2:O-1:	N-3:	N(CCHH)(COS)(H)	C(NCH)(SC)(O)	H(NCC)	N(CCHH)(COS)(H)	C(NCH)(SC)(O)	H(NCC)	120.0240	0.000	1	120.0240	0.000	1	119.2392	2.595	4	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:S-2:O-1:	N-3:	N(CC[6a]HH)(COS)(H)	C(NCH)(SS)(O)	H(NCC)	N(CC[6a]HH)(COS)(H)	C(NCH)(SS)(O)	H(NCC)	116.9070	0.000	1	116.9070	0.000	1	119.2392	2.595	4	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:S-2:O-1:	N-3:	N(CH3)(COS)(H)	C(NCH)(SS)(O)	H(NCC)	N(CH3)(COS)(H)	C(NCH)(SS)(O)	H(NCC)	120.0130	0.730	2	120.0130	0.533	2	119.2392	2.595	4	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:S-2:S-1:	N-3:	N(CCCH)(CSS)(H)	C(NCH)(SC)(S)	H(NCC)	N(CCCH)(CSS)(H)	C(NCH)(SC)(S)	H(NCC)	118.4653	0.333	3	118.4653	0.111	3	118.2295	0.113	6	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:S-2:S-1:	N-3:	N(CCHH)(CSS)(H)	C(NCH)(SC)(S)	H(NCC)	N(CCHH)(CSS)(H)	C(NCH)(SC)(S)	H(NCC)	117.9060	0.000	1	117.9060	0.000	1	118.2295	0.113	6	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:S-2:S-1:	N-3:	N(CH3)(CSS)(H)	C(NCH)(SC)(S)	H(NCC)	N(CH3)(CSS)(H)	C(NCH)(SC)(S)	H(NCC)	118.0280	0.000	1	118.0280	0.000	1	118.2295	0.113	6	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:S-2:S-1:	N-3:	N(CH3)(CSS)(H)	C(NCH)(SS)(S)	H(NCC)	N(CH3)(CSS)(H)	C(NCH)(SS)(S)	H(NCC)	118.0470	0.000	1	118.0470	0.000	1	118.2295	0.113	6	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[3]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[3]C[3]2C)(COO)(H)	C(NC[3]H)(OC)(O)	H(NC[3]C)	N(C[3]C[3]2C)(COO)(H)	C(NC[3]H)(OC)(O)	H(NC[3]C)	120.0280	0.000	1	120.0280	0.000	1	120.0280	0.000	1	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[3x4]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[3x4]C[4,4]3)(COO)(H)	C(NC[3x4]H)(OC)(O)	H(NC[3x4]C)	N(C[3x4]C[4,4]3)(COO)(H)	C(NC[3x4]H)(OC)(O)	H(NC[3x4]C)	117.1780	0.000	1	117.1780	0.000	1	117.1780	0.000	1	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[3x6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[3x6]C[6,6]3)(COO)(H)	C(NC[3x6]H)(OC)(O)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(COO)(H)	C(NC[3x6]H)(OC)(O)	H(NC[3x6]C)	116.3752	1.387	4	116.3752	1.923	4	116.3752	1.923	4	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[4,5]-4:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[4,5]C[4,5,5]2H)(CNO)(H)	C(NC[4,5]H)(NN)(O)	H(NC[4,5]C)	N(C[4,5]C[4,5,5]2H)(CNO)(H)	C(NC[4,5]H)(NN)(O)	H(NC[4,5]C)	120.2130	0.000	1	120.2130	0.000	1	120.2130	0.000	1	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[4,5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[4,5]C[4,5,5]2H)(COO)(H)	C(NC[4,5]H)(OC)(O)	H(NC[4,5]C)	N(C[4,5]C[4,5,5]2H)(COO)(H)	C(NC[4,5]H)(OC)(O)	H(NC[4,5]C)	120.5493	0.197	4	120.5493	0.039	4	120.5493	0.039	4	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[4]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[4]C[4]2C)(COO)(H)	C(NC[4]H)(OC)(O)	H(NC[4]C)	N(C[4]C[4]2C)(COO)(H)	C(NC[4]H)(OC)(O)	H(NC[4]C)	118.7581	2.052	8	118.7581	4.209	8	118.2179	6.123	14	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[4]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[4]C[4]2H)(COO)(H)	C(NC[4]H)(OC)(O)	H(NC[4]C)	N(C[4]C[4]2H)(COO)(H)	C(NC[4]H)(OC)(O)	H(NC[4]C)	117.4975	2.989	6	117.4975	8.936	6	118.2179	6.123	14	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5,6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	C(NC[5,6]H)(OC)(O)	H(NC[5,6]C)	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	C(NC[5,6]H)(OC)(O)	H(NC[5,6]C)	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:N-2:H-1:	N-3:	N(C[5]C[5]2Fe)(CHN)(H)	C(NC[5]H)(NC[5])(H)	H(NC[5]C)	N(C[5]C[5]2Fe)(CHN)(H)	C(NC[5]H)(NC[5])(H)	H(NC[5]C)	111.3605	4.515	4	111.3605	20.389	4	111.3605	20.389	4	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[3,5]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[3,5]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	117.1760	0.000	1	117.1760	0.000	1	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,5]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,5]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	116.9596	1.898	5	116.9596	3.603	5	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	119.4920	0.000	1	119.4920	0.000	1	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6]N[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6]N[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	118.8525	0.023	2	118.8525	0.001	2	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5,5]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5,5]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	119.1560	0.000	1	119.1560	0.000	1	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	117.7850	3.568	12	117.7850	12.732	12	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	119.0325	1.772	28	119.0325	3.140	28	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5]C[6])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]C[6])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	120.3740	0.000	1	120.3740	0.000	1	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	116.6110	0.000	1	116.6110	0.000	1	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5]N)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]N)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	120.8480	0.000	1	120.8480	0.000	1	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5]O)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]O)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	117.0660	0.000	1	117.0660	0.000	1	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5]P)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]P)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	114.2920	0.000	1	114.2920	0.000	1	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	117.0040	0.139	2	117.0040	0.019	2	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	118.4595	2.452	4	118.4595	6.012	4	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	118.8753	1.569	3	118.8753	2.462	3	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5]2C)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5]2C)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	119.1102	3.030	11	119.1102	9.179	11	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5]2Fe)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	117.2224	2.477	15	117.2224	6.137	15	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	119.0190	1.429	36	119.0190	2.042	36	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OPt)(O)	H(NC[5]C)	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OPt)(O)	H(NC[5]C)	118.3085	0.200	2	118.3085	0.040	2	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5]N[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5]N[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	118.0661	0.633	12	118.0661	0.401	12	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	116.7875	1.166	2	116.7875	1.360	2	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	118.0180	0.000	1	118.0180	0.000	1	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[6a]C[5]N[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[6a]C[5]N[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	119.2640	0.270	2	119.2640	0.073	2	118.4489	4.385	145	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6,6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	C(NC[6,6]H)(OC)(O)	H(NC[6,6]C)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	C(NC[6,6]H)(OC)(O)	H(NC[6,6]C)	116.7620	0.000	1	116.7620	0.000	1	117.3987	5.391	7	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6,6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6,6]C[6,6]2H)(COO)(H)	C(NC[6,6]H)(OC)(O)	H(NC[6,6]C)	N(C[6,6]C[6,6]2H)(COO)(H)	C(NC[6,6]H)(OC)(O)	H(NC[6,6]C)	115.9080	0.000	1	115.9080	0.000	1	117.3987	5.391	7	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6,6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C(NC[6,6]H)(OC)(O)	H(NC[6,6]C)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C(NC[6,6]H)(OC)(O)	H(NC[6,6]C)	117.8242	2.684	5	117.8242	7.203	5	117.3987	5.391	7	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:N-2:H-1:	N-3:	N(C[6]C[6]2H)(CHN)(H)	C(NC[6]H)(NC[6a])(H)	H(NC[6]C)	N(C[6]C[6]2H)(CHN)(H)	C(NC[6]H)(NC[6a])(H)	H(NC[6]C)	117.9510	0.000	1	117.9510	0.000	1	117.9510	0.000	1	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NS)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NS)(O)	H(NC[6]C)	118.5473	0.233	3	118.5473	0.054	3	118.5473	0.054	3	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[3,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[3,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	125.5560	0.000	1	125.5560	0.000	1	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[5,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[5,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	118.6920	1.493	2	118.6920	2.230	2	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6,6a]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	119.3435	1.059	6	119.3435	1.121	6	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]2C)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6]2C)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	118.9550	1.632	10	118.9550	2.664	10	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	118.6679	2.925	39	118.6679	8.553	39	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC[6])(O)	H(NC[6]C)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC[6])(O)	H(NC[6]C)	117.6965	0.183	2	117.6965	0.034	2	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC[6a])(O)	H(NC[6]C)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC[6a])(O)	H(NC[6]C)	118.8775	0.718	13	118.8775	0.515	13	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]2O)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6]2O)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	118.1090	0.000	1	118.1090	0.000	1	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]2Ru)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6]2Ru)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	129.6070	0.000	1	129.6070	0.000	1	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]N[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6]N[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	121.2740	3.334	3	121.2740	11.117	3	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]O[6]C)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6]O[6]C)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	115.5000	0.081	4	115.5000	0.007	4	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]O[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6]O[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	119.0180	0.000	1	119.0180	0.000	1	118.9152	7.491	83	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:S-1:	N-3:	N(C[6]C[6]O[6]H)(COS)(H)	C(NC[6]H)(OC)(S)	H(NC[6]C)	N(C[6]C[6]O[6]H)(COS)(H)	C(NC[6]H)(OC)(S)	H(NC[6]C)	119.0840	0.000	1	119.0840	0.000	1	119.0840	0.000	1	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:S-2:O-1:	N-3:	N(C[6]C[6]2H)(COS)(H)	C(NC[6]H)(SC[6a])(O)	H(NC[6]C)	N(C[6]C[6]2H)(COS)(H)	C(NC[6]H)(SC[6a])(O)	H(NC[6]C)	118.7700	0.000	1	118.7700	0.000	1	118.7700	0.000	1	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	N-4:C-3:H-1:	N-3:N-2:O-1:	N-3:	N(NH3)(CNO)(H)	C(NHN)(NN)(O)	H(NCN)	N(NH3)(CNO)(H)	C(NHN)(NN)(O)	H(NCN)	123.5230	0.000	1	123.5230	0.000	1	123.5230	0.000	1	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	N-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NIrHH)(COO)(H)	C(NHN)(OIr)(O)	H(NCN)	N(NIrHH)(COO)(H)	C(NHN)(OIr)(O)	H(NCN)	119.3060	0.000	1	119.3060	0.000	1	119.3060	0.000	1	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	P-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(PO3)(COO)(H)	C(NHP)(OC)(O)	H(NCP)	N(PO3)(COO)(H)	C(NHP)(OC)(O)	H(NCP)	115.8450	0.000	1	115.8450	0.000	1	115.8450	0.000	1	118.8868	5.116	1057	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:N-2:N-2:	N-3:	N(CCHH)(CNN)(H)	C(NCH)(NH)(NN)	H(NCC)	N(CCHH)(CNN)(H)	C(NCH)(NH)(NN)	H(NCC)	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:N-2:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NN)(SS)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NN)(SS)	H(NCC)	113.3885	3.712	2	113.3885	13.776	2	115.1463	16.158	3	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:N-2:S-2:	N-3:	N(CC[6a]HH)(CNS)(H)	C(NCH)(NC)(SC)	H(NCC)	N(CC[6a]HH)(CNS)(H)	C(NCH)(NC)(SC)	H(NCC)	118.6620	0.000	1	118.6620	0.000	1	115.1463	16.158	3	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:O-2:O-2:	N-3:	N(CCCH)(COO)(H)	C(NCH)(OCo)2	H(NCC)	N(CCCH)(COO)(H)	C(NCH)(OCo)2	H(NCC)	118.4230	0.000	1	118.4230	0.000	1	119.1270	0.631	3	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:O-2:O-2:	N-3:	N(CCHH)(COO)(H)	C(NCH)(OCa)(OC)	H(NCC)	N(CCHH)(COO)(H)	C(NCH)(OCa)(OC)	H(NCC)	119.9880	0.000	1	119.9880	0.000	1	119.1270	0.631	3	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:O-2:O-2:	N-3:	N(CCHH)(COO)(H)	C(NCH)(OCo)2	H(NCC)	N(CCHH)(COO)(H)	C(NCH)(OCo)2	H(NCC)	118.9700	0.000	1	118.9700	0.000	1	119.1270	0.631	3	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCCH)(CNS)(H)	C(NCH)(SCu)(NN)	H(NCC)	N(CCCH)(CNS)(H)	C(NCH)(SCu)(NN)	H(NCC)	117.2084	2.188	5	117.2084	4.787	5	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCCH)(CNS)(H)	C(NCH)(SCu)(NP)	H(NCC)	N(CCCH)(CNS)(H)	C(NCH)(SCu)(NP)	H(NCC)	117.4820	0.000	1	117.4820	0.000	1	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCCH)(CNS)(H)	C(NCH)(SZn)(NN)	H(NCC)	N(CCCH)(CNS)(H)	C(NCH)(SZn)(NN)	H(NCC)	114.3497	1.434	3	114.3497	2.056	3	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(SCo)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(SCo)(NN)	H(NCC)	115.8310	0.000	1	115.8310	0.000	1	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(SCu)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(SCu)(NN)	H(NCC)	118.3960	0.102	3	118.3960	0.010	3	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(SMn)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(SMn)(NN)	H(NCC)	123.1640	0.000	1	123.1640	0.000	1	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(SNi)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(SNi)(NN)	H(NCC)	118.2968	1.837	4	118.2968	3.375	4	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(SPd)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(SPd)(NN)	H(NCC)	118.2750	0.404	3	118.2750	0.163	3	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(SPt)(NC)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(SPt)(NC)	H(NCC)	117.5800	0.000	1	117.5800	0.000	1	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(SPt)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(SPt)(NN)	H(NCC)	118.5850	0.522	3	118.5850	0.273	3	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(SRu)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(SRu)(NN)	H(NCC)	118.3760	0.922	2	118.3760	0.850	2	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(SSn)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(SSn)(NN)	H(NCC)	117.3080	1.153	3	117.3080	1.328	3	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(SZn)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(SZn)(NN)	H(NCC)	117.0474	1.881	10	117.0474	3.539	10	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CC[6a]3)(CNS)(H)	C(NCH)(SMo)(NN)	H(NCC)	N(CC[6a]3)(CNS)(H)	C(NCH)(SMo)(NN)	H(NCC)	117.3110	0.000	1	117.3110	0.000	1	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SCd)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SCd)(NN)	H(NCC)	119.8210	0.000	1	119.8210	0.000	1	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SCo)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SCo)(NN)	H(NCC)	119.7412	4.293	4	119.7412	18.427	4	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SCu)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SCu)(NN)	H(NCC)	118.2683	1.153	12	118.2683	1.330	12	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SCu)(NP)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SCu)(NP)	H(NCC)	118.0410	1.137	2	118.0410	1.293	2	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SFe)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SFe)(NN)	H(NCC)	116.9160	1.448	3	116.9160	2.097	3	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SMn)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SMn)(NN)	H(NCC)	117.1270	0.000	1	117.1270	0.000	1	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SNi)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SNi)(NN)	H(NCC)	118.1224	1.261	12	118.1224	1.591	12	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SNi)(NP)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SNi)(NP)	H(NCC)	119.8420	0.000	1	119.8420	0.000	1	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SPd)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SPd)(NN)	H(NCC)	117.4837	3.352	9	117.4837	11.239	9	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SRe)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SRe)(NN)	H(NCC)	126.0840	2.779	2	126.0840	7.722	2	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SRu)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SRu)(NN)	H(NCC)	116.2895	4.485	2	116.2895	20.117	2	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SSn)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SSn)(NN)	H(NCC)	119.1765	0.240	2	119.1765	0.057	2	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(SZn)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(SZn)(NN)	H(NCC)	117.8327	1.127	6	117.8327	1.271	6	118.0131	5.577	98	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:S-2:	N-3:	N(CCHH)(CSS)(H)	C(NCH)(SCo)2	H(NCC)	N(CCHH)(CSS)(H)	C(NCH)(SCo)2	H(NCC)	120.4440	0.000	1	120.4440	0.000	1	120.4440	0.000	1	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C[6]-4:C-3:H-1:	N-3:N-2:C-2:	N-3:	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(NC[6a])(CC)	H(NC[6]C)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(NC[6a])(CC)	H(NC[6]C)	121.0375	6.966	2	121.0375	48.521	2	121.0375	48.521	2	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C[6]-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)(SPt)(NN)	H(NC[6]C)	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)(SPt)(NN)	H(NC[6]C)	115.3880	0.000	1	115.3880	0.000	1	118.1644	6.678	7	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C[6]-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)(SSn)(NN)	H(NC[6]C)	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)(SSn)(NN)	H(NC[6]C)	118.6272	2.493	6	118.6272	6.214	6	118.1644	6.678	7	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	N-4:C-3:H-1:	N-3:O-2:O-2:	N-3:	N(NFeHH)(COO)(H)	C(NHN)(OFe)(OC)	H(NCN)	N(NFeHH)(COO)(H)	C(NHN)(OFe)(OC)	H(NCN)	122.1280	0.000	1	122.1280	0.000	1	121.6232	0.230	8	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	N-4:C-3:H-1:	N-3:O-2:O-2:	N-3:	N(NMnHH)(COO)(H)	C(NHN)(OMn)(OC)	H(NCN)	N(NMnHH)(COO)(H)	C(NHN)(OMn)(OC)	H(NCN)	121.8380	0.000	1	121.8380	0.000	1	121.6232	0.230	8	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	N-4:C-3:H-1:	N-3:O-2:O-2:	N-3:	N(NNiHH)(COO)(H)	C(NHN)(ONi)(OC)	H(NCN)	N(NNiHH)(COO)(H)	C(NHN)(ONi)(OC)	H(NCN)	121.5033	0.494	6	121.5033	0.244	6	121.6232	0.230	8	118.2881	6.663	123	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:3:	3:	C-4:C-3:H-1:	N-3:N-2:N-3:	N-3:	N(CCHH)(CNN)(H)	C(NC[6a]H)(NC[5a])(NCH)	H(NCC)	N(CCHH)(CNN)(H)	C(NC[6a]H)(NC[5a])(NCH)	H(NCC)	115.3220	0.000	1	115.3220	0.000	1	115.3220	0.000	1	115.3220	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:2:4:	3:	C[6]-4:C-3:H-1:	N-3:N-2:C-4:	N-3:	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(NC[6a])(CC3)	H(NC[6]C)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(NC[6a])(CC3)	H(NC[6]C)	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	B-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(BC[6a]2H)(CC[6]H)(H)	C(C[6]C[6]2)(NBH)(H)	H(NBC)	N(BC[6a]2H)(CC[6]H)(H)	C(C[6]C[6]2)(NBH)(H)	H(NBC)	115.5270	0.000	1	115.5270	0.000	1	116.0650	0.579	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	B-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(BC[6a]2H)(CC[6]H)(H)	C(C[6]P[6]2)(NBH)(H)	H(NBC)	N(BC[6a]2H)(CC[6]H)(H)	C(C[6]P[6]2)(NBH)(H)	H(NBC)	116.6030	0.000	1	116.6030	0.000	1	116.0650	0.579	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	B-4:C-3:H-1:	N-3:N-3:H-1:	N-3:	N(BN[5]3)(CHN)(H)	C(NBH)(NCC)(H)	H(NBC)	N(BN[5]3)(CHN)(H)	C(NBH)(NCC)(H)	H(NBC)	116.7710	0.608	2	116.7710	0.370	2	116.7710	0.370	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC3)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	N(CC3)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	116.7610	0.242	2	116.7610	0.058	2	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCCH)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	N(CCCH)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	118.0590	0.000	1	118.0590	0.000	1	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCCH)(CCH)(H)	C(CC[5a]C)(NCH)(H)	H(NCC)	N(CCCH)(CCH)(H)	C(CC[5a]C)(NCH)(H)	H(NCC)	114.9865	1.187	2	114.9865	1.410	2	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCHH)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	N(CCHH)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	118.0711	1.245	10	118.0711	1.549	10	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCHH)(CCH)(H)	C(CCH)(NCH)(H)	H(NCC)	N(CCHH)(CCH)(H)	C(CCH)(NCH)(H)	H(NCC)	117.2140	0.512	2	117.2140	0.262	2	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCHH)(CCH)(H)	C(CC[6]N)(NCH)(H)	H(NCC)	N(CCHH)(CCH)(H)	C(CC[6]N)(NCH)(H)	H(NCC)	118.2330	0.000	1	118.2330	0.000	1	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCHH)(CCH)(H)	C(CC[6a]C)(NCH)(H)	H(NCC)	N(CCHH)(CCH)(H)	C(CC[6a]C)(NCH)(H)	H(NCC)	116.2585	0.122	2	116.2585	0.015	2	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CCHH)(CCH)(H)	C(CC[6a]N)(NCH)(H)	H(NCC)	N(CCHH)(CCH)(H)	C(CC[6a]N)(NCH)(H)	H(NCC)	117.4170	0.000	1	117.4170	0.000	1	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6]HH)(CCH)(H)	C(CCH)(NCH)(H)	H(NCC)	N(CC[6]HH)(CCH)(H)	C(CCH)(NCH)(H)	H(NCC)	119.5190	0.000	1	119.5190	0.000	1	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6a]HH)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	N(CC[6a]HH)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	118.6434	0.348	5	118.6434	0.121	5	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6a]HH)(CCH)(H)	C(CCH)(NCH)(H)	H(NCC)	N(CC[6a]HH)(CCH)(H)	C(CCH)(NCH)(H)	H(NCC)	117.8530	0.819	2	117.8530	0.670	2	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CC[6a]HH)(CCH)(H)	C(CC[6a]C)(NCH)(H)	H(NCC)	N(CC[6a]HH)(CCH)(H)	C(CC[6a]C)(NCH)(H)	H(NCC)	117.2600	1.685	4	117.2600	2.841	4	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(CH3)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	N(CH3)(CCH)(H)	C(CCC)(NCH)(H)	H(NCC)	117.7410	0.496	2	117.7410	0.246	2	117.6521	1.679	35	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	114.8374	5.385	5	114.8374	28.995	5	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	117.1294	3.481	7	117.1294	12.119	7	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6a]C)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6a]C)(NCH)(O)	H(NCC)	118.2235	5.791	4	118.2235	33.534	4	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6a]N)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6a]N)(NCH)(O)	H(NCC)	117.2340	0.000	1	117.2340	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6a]O)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6a]O)(NCH)(O)	H(NCC)	117.3123	0.380	3	117.3123	0.145	3	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CNN)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CNN)(NCH)(O)	H(NCC)	116.8825	0.240	2	116.8825	0.057	2	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	119.7020	1.969	2	119.7020	3.875	2	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	118.1852	1.505	18	118.1852	2.264	18	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCN)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCN)(NCH)(O)	H(NCC)	121.1708	3.360	6	121.1708	11.287	6	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCO)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCO)(NCH)(O)	H(NCC)	116.9090	1.298	2	116.9090	1.685	2	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CHH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CHH)(NCH)(O)	H(NCC)	118.5560	0.000	1	118.5560	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CNO)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CNO)(NCH)(O)	H(NCC)	117.6638	0.927	9	117.6638	0.859	9	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CNS)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CNS)(NCH)(O)	H(NCC)	118.6260	0.904	2	118.6260	0.817	2	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(COO)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(COO)(NCH)(O)	H(NCC)	117.8670	0.000	1	117.8670	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	121.5860	4.006	4	121.5860	16.047	4	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	118.6979	1.523	30	118.6979	2.319	30	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCN)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCN)(NCH)(O)	H(NCC)	119.2689	1.712	19	119.2689	2.929	19	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCS)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCS)(NCH)(O)	H(NCC)	119.1660	0.000	1	119.1660	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[5]H)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[5]H)(NCH)(O)	H(NCC)	119.3455	0.257	2	119.3455	0.066	2	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[6a]C)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[6a]C)(NCH)(O)	H(NCC)	120.2030	0.000	1	120.2030	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[6a]O)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[6a]O)(NCH)(O)	H(NCC)	120.4880	0.000	1	120.4880	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CNO)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CNO)(NCH)(O)	H(NCC)	118.7154	1.173	28	118.7154	1.375	28	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[5a]HH)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	N(CC[5a]HH)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	119.5387	1.058	3	119.5387	1.119	3	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6]CH)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	N(CC[6]CH)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	121.4350	0.000	1	121.4350	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6]HH)(CCO)(H)	C(CNO)(NCH)(O)	H(NCC)	N(CC[6]HH)(CCO)(H)	C(CNO)(NCH)(O)	H(NCC)	119.9930	1.632	4	119.9930	2.662	4	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	120.9943	4.505	7	120.9943	20.296	7	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[6a]C)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]C)(NCH)(O)	H(NCC)	114.4090	0.000	1	114.4090	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[6a]O)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]O)(NCH)(O)	H(NCC)	115.4310	4.456	2	115.4310	19.858	2	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CNO)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CNO)(NCH)(O)	H(NCC)	116.7090	0.000	1	116.7090	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	119.5097	0.883	3	119.5097	0.779	3	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	117.5464	1.709	14	117.5464	2.922	14	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCN)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCN)(NCH)(O)	H(NCC)	117.7290	0.000	1	117.7290	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCO)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCO)(NCH)(O)	H(NCC)	117.7687	1.250	3	117.7687	1.562	3	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCS)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCS)(NCH)(O)	H(NCC)	120.4430	0.000	1	120.4430	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[5]O)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[5]O)(NCH)(O)	H(NCC)	117.8100	0.000	1	117.8100	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[5a]O)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[5a]O)(NCH)(O)	H(NCC)	118.6120	2.014	2	118.6120	4.056	2	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[6a]N)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]N)(NCH)(O)	H(NCC)	118.6750	0.000	1	118.6750	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CNO)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CNO)(NCH)(O)	H(NCC)	118.8349	1.078	30	118.8349	1.162	30	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CSiC)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CSiC)(NCH)(O)	H(NCC)	118.6860	0.000	1	118.6860	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CCC)(NCH)(O)	H(NCC)	120.5514	1.126	5	120.5514	1.267	5	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CCS)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CCS)(NCH)(O)	H(NCC)	119.2490	0.000	1	119.2490	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CC[5]C)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CC[5]C)(NCH)(O)	H(NCC)	119.7950	0.000	1	119.7950	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CC[5a]O)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CC[5a]O)(NCH)(O)	H(NCC)	118.9540	0.000	1	118.9540	0.000	1	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CC[6a]N)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CC[6a]N)(NCH)(O)	H(NCC)	118.1444	1.539	5	118.1444	2.368	5	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(CHHN)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	N(CHHN)(CCO)(H)	C(CCH)(NCH)(O)	H(NCC)	119.0538	0.999	6	119.0538	0.999	6	118.6639	4.998	244	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(CCCH)(CCS)(H)	C(CCC)(NCH)(S)	H(NCC)	N(CCCH)(CCS)(H)	C(CCC)(NCH)(S)	H(NCC)	118.2930	0.000	1	118.2930	0.000	1	117.4143	6.553	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(CCCH)(CCS)(H)	C(CNO)(NCH)(S)	H(NCC)	N(CCCH)(CCS)(H)	C(CNO)(NCH)(S)	H(NCC)	117.4635	0.414	2	117.4635	0.171	2	117.4143	6.553	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(CCCH)(CCS)(H)	C(CNS)(NCH)(S)	H(NCC)	N(CCCH)(CCS)(H)	C(CNS)(NCH)(S)	H(NCC)	117.2800	0.048	2	117.2800	0.002	2	117.4143	6.553	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(CCHH)(CCS)(H)	C(CNS)(NCH)(S)	H(NCC)	N(CCHH)(CCS)(H)	C(CNS)(NCH)(S)	H(NCC)	116.0963	2.661	3	116.0963	7.082	3	117.4143	6.553	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(CC[6a]CH)(CCS)(H)	C(COO)(NCH)(S)	H(NCC)	N(CC[6a]CH)(CCS)(H)	C(COO)(NCH)(S)	H(NCC)	119.1050	0.218	2	119.1050	0.047	2	117.4143	6.553	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(CC[6a]HH)(CCS)(H)	C(CNS)(NCH)(S)	H(NCC)	N(CC[6a]HH)(CCS)(H)	C(CNS)(NCH)(S)	H(NCC)	116.8680	4.480	4	116.8680	20.074	4	117.4143	6.553	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C-3:N-3:S-1:	N-3:	N(CH3)(CCS)(H)	C(CCC)(NCH)(S)	H(NCC)	N(CH3)(CCS)(H)	C(CCC)(NCH)(S)	H(NCC)	119.4640	0.000	1	119.4640	0.000	1	117.4143	6.553	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5]-3:N-3:H-1:	N-3:	N(CC[6a]HH)(CC[5]H)(H)	C(C[5]C[5]2)(NCH)(H)	H(NCC)	N(CC[6a]HH)(CC[5]H)(H)	C(C[5]C[5]2)(NCH)(H)	H(NCC)	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2)(NCH)(O)	H(NCC)	118.5180	0.000	1	118.5180	0.000	1	118.5180	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:H-1:	N-3:	N(CC[6a]3)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NCH)(H)	H(NCC)	N(CC[6a]3)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NCH)(H)	H(NCC)	124.1950	0.000	1	124.1950	0.000	1	124.1950	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5]CH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5]CH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	119.8755	0.545	4	119.8755	0.297	4	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5]C[6]H)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5]C[6]H)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	119.2490	0.000	1	119.2490	0.000	1	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5]HH)(CC[5a]O)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	N(CC[5]HH)(CC[5a]O)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	118.5637	1.489	3	118.5637	2.217	3	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	119.9263	0.877	3	119.9263	0.770	3	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5]HH)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	N(CC[5]HH)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	119.7210	1.544	2	119.7210	2.385	2	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]CH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5a]CH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	119.0800	1.051	28	119.0800	1.105	28	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	119.0367	0.492	3	119.0367	0.242	3	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[6]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	119.6090	0.989	2	119.6090	0.977	2	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6a]CC)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	N(CC[6a]CC)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	113.8750	0.000	1	113.8750	0.000	1	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6a]CC)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NCH)(O)	H(NCC)	N(CC[6a]CC)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NCH)(O)	H(NCC)	118.3372	1.057	4	118.3372	1.117	4	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	118.4150	0.000	1	118.4150	0.000	1	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	119.2476	0.662	15	119.2476	0.439	15	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NCH)(O)	H(NCC)	118.7300	0.000	1	118.7300	0.000	1	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]2)(NCH)(O)	H(NCC)	118.8010	0.000	1	118.8010	0.000	1	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	119.0787	1.501	10	119.0787	2.253	10	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	119.0550	0.000	1	119.0550	0.000	1	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(NCH)(O)	H(NCC)	119.5830	0.280	4	119.5830	0.078	4	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]N[5a]O[5a])(NCH)(O)	H(NCC)	118.4290	0.000	1	118.4290	0.000	1	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]N[5a]S[5a])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5a]O)(H)	C(C[5a]N[5a]S[5a])(NCH)(O)	H(NCC)	118.9180	0.000	1	118.9180	0.000	1	119.0888	1.285	86	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:S-1:	N-3:	N(CC[6a]HH)(CC[5a]S)(H)	C(C[5a]C[5a]2)(NCH)(S)	H(NCC)	N(CC[6a]HH)(CC[5a]S)(H)	C(C[5a]C[5a]2)(NCH)(S)	H(NCC)	121.9950	0.000	1	121.9950	0.000	1	121.9950	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[5a]HH)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(NCC)	N(CC[5a]HH)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(NCC)	118.2020	0.000	2	118.2020	0.000	2	116.0931	7.822	20	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6]HH)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	N(CC[6]HH)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	112.3777	2.145	4	112.3777	4.601	4	116.0931	7.822	20	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6a]2H)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	N(CC[6a]2H)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	115.3745	0.675	2	115.3745	0.456	2	116.0931	7.822	20	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6a]CH)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(NCC)	N(CC[6a]CH)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NCH)(H)	H(NCC)	112.0980	0.000	1	112.0980	0.000	1	116.0931	7.822	20	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6a]CH)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	N(CC[6a]CH)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	118.1020	0.000	1	118.1020	0.000	1	116.0931	7.822	20	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(CC[6a]HH)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	N(CC[6a]HH)(CC[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	H(NCC)	117.4999	1.808	10	117.4999	3.269	10	116.0931	7.822	20	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[6]O)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[6]O)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	119.7375	1.033	2	119.7375	1.067	2	118.9025	1.760	21	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	118.4740	0.535	9	118.4740	0.286	9	118.9025	1.760	21	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]N[6])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]N[6])(NCH)(O)	H(NCC)	119.7170	0.000	1	119.7170	0.000	1	118.9025	1.760	21	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]O[6])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]O[6])(NCH)(O)	H(NCC)	118.8850	0.000	1	118.8850	0.000	1	118.9025	1.760	21	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]S[6])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]S[6])(NCH)(O)	H(NCC)	119.0761	1.996	8	119.0761	3.986	8	118.9025	1.760	21	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6]-3:N-3:S-1:	N-3:	N(CC[6a]HH)(CC[6]S)(H)	C(C[6]C[6]O[6])(NCH)(S)	H(NCC)	N(CC[6a]HH)(CC[6]S)(H)	C(C[6]C[6]O[6])(NCH)(S)	H(NCC)	119.4345	0.173	2	119.4345	0.030	2	119.4345	0.030	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(CC[3x6]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	N(CC[3x6]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	117.2440	0.000	1	117.2440	0.000	1	118.4843	3.938	3	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(CC[6a]CC)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	N(CC[6a]CC)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	117.4360	0.000	1	117.4360	0.000	1	118.4843	3.938	3	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(CC[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	N(CC[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NCH)(H)	H(NCC)	120.7730	0.000	1	120.7730	0.000	1	118.4843	3.938	3	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[3x6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[3x6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	115.6808	3.446	4	115.6808	11.878	4	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[4]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[4]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	113.8410	3.110	2	113.8410	9.671	2	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[5]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[5]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.8017	0.936	6	119.8017	0.876	6	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[5]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[5]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	118.3840	1.180	4	118.3840	1.392	4	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	H(NCC)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	H(NCC)	119.4380	0.000	1	119.4380	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	118.3716	1.713	14	118.3716	2.933	14	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	119.2607	2.371	3	119.2607	5.624	3	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[5a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[5a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.0969	1.397	8	119.0969	1.952	8	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[5a]C[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[5a]C[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	120.7100	1.000	2	120.7100	1.000	2	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	118.3303	1.255	20	118.3303	1.574	20	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6,6]C[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6,6]C[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	119.3900	0.000	1	119.3900	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6,6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6,6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	114.6350	0.000	1	114.6350	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6,6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6,6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	119.8030	0.809	2	119.8030	0.654	2	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.2540	0.000	1	119.2540	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	120.8215	1.405	2	120.8215	1.974	2	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	H(NCC)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(NCH)(O)	H(NCC)	119.6620	0.000	1	119.6620	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.5065	1.834	8	119.5065	3.362	8	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	116.3885	2.514	4	116.3885	6.321	4	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.3647	0.571	3	119.3647	0.326	3	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	117.3560	0.000	1	117.3560	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[5,6a]2)(NCH)(O)	H(NCC)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[5,6a]2)(NCH)(O)	H(NCC)	109.3530	6.437	4	109.3530	41.429	4	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	117.3924	1.535	11	117.3924	2.355	11	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	116.2100	0.000	1	116.2100	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]CC)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	116.7139	1.633	8	116.7139	2.665	8	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	H(NCC)	118.4620	0.601	2	118.4620	0.361	2	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	118.7210	0.000	1	118.7210	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.4767	2.370	106	119.4767	5.617	106	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	117.0553	2.313	11	117.0553	5.349	11	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]O[6a])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]O[6a])(NCH)(O)	H(NCC)	119.5673	0.765	4	119.5673	0.585	4	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]C[3]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]C[3]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	123.1810	0.000	1	123.1810	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(O)	H(NCC)	117.1130	0.000	1	117.1130	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.6048	2.339	104	119.6048	5.472	104	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	118.8675	3.125	72	118.8675	9.768	72	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]HO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]HO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	121.3990	0.000	1	121.3990	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]HO)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	N(CC[6a]HO)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(O)	H(NCC)	120.8240	0.000	1	120.8240	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]HP)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]HP)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	119.4748	0.372	5	119.4748	0.138	5	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]HS)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]HS)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	117.6540	0.000	1	117.6540	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CN[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CN[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	117.6780	0.000	1	117.6780	0.000	1	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CN[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CN[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	118.8200	0.134	2	118.8200	0.018	2	118.9274	7.162	425	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(CC[6a]CH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	N(CC[6a]CH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	119.5630	1.048	2	119.5630	1.098	2	117.2907	16.040	3	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(CC[6a]HH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	N(CC[6a]HH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(S)	H(NCC)	112.7460	0.000	1	112.7460	0.000	1	117.2907	16.040	3	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:H-1:	N-3:	N(CCCH)(CHN)(H)	C(NBC)(NCH)(H)	H(NCC)	N(CCCH)(CHN)(H)	C(NBC)(NCH)(H)	H(NCC)	120.6220	0.000	1	120.6220	0.000	1	117.2112	3.363	10	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:H-1:	N-3:	N(CCHH)(CHN)(H)	C(NCH)(NHH)(H)	H(NCC)	N(CCHH)(CHN)(H)	C(NCH)(NHH)(H)	H(NCC)	116.9890	0.299	7	116.9890	0.089	7	117.2112	3.363	10	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:H-1:	N-3:	N(CC[6a]CH)(CHN)(H)	C(NC[6a]H)(NCH)(H)	H(NCC)	N(CC[6a]CH)(CHN)(H)	C(NC[6a]H)(NCH)(H)	H(NCC)	113.4520	0.000	1	113.4520	0.000	1	117.2112	3.363	10	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:H-1:	N-3:	N(CC[6a]HH)(CHN)(H)	C(NMnC)(NCH)(H)	H(NCC)	N(CC[6a]HH)(CHN)(H)	C(NMnC)(NCH)(H)	H(NCC)	119.1150	0.000	1	119.1150	0.000	1	117.2112	3.363	10	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:N-1:	N-3:	N(CCHH)(CNN)(H)	C(NCH)(NHH)(N)	H(NCC)	N(CCHH)(CNN)(H)	C(NCH)(NHH)(N)	H(NCC)	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	N(CC3)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	118.3145	0.398	2	118.3145	0.158	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NCH)(NHN)(O)	H(NCC)	N(CC3)(CNO)(H)	C(NCH)(NHN)(O)	H(NCC)	118.5540	0.000	1	118.5540	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NCH)(NHS)(O)	H(NCC)	N(CC3)(CNO)(H)	C(NCH)(NHS)(O)	H(NCC)	116.4617	2.285	4	116.4617	5.219	4	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC3)(CNO)(H)	C(NCH)2(O)	H(NCC)	117.1144	1.743	9	117.1144	3.037	9	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NCC)	N(CC3)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NCC)	116.6760	0.000	1	116.6760	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NC[6a]2)(NCH)(O)	H(NCC)	N(CC3)(CNO)(H)	C(NC[6a]2)(NCH)(O)	H(NCC)	117.2230	0.000	1	117.2230	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CC3)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	115.6760	1.546	2	115.6760	2.389	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NC[6a]Ni)(NCH)(O)	H(NCC)	N(CC3)(CNO)(H)	C(NC[6a]Ni)(NCH)(O)	H(NCC)	117.9500	0.000	1	117.9500	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NCoC)(NCH)(O)	H(NCC)	N(CC3)(CNO)(H)	C(NCoC)(NCH)(O)	H(NCC)	118.7053	4.183	3	118.7053	17.498	3	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	121.2940	2.741	2	121.2940	7.512	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NCH)(NCN)(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NCH)(NCN)(O)	H(NCC)	120.3810	0.751	4	120.3810	0.564	4	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NCH)(NCO)(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NCH)(NCO)(O)	H(NCC)	119.2220	0.000	1	119.2220	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	118.9624	1.658	5	118.9624	2.751	5	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NCH)2(O)	H(NCC)	118.4048	1.655	36	118.4048	2.739	36	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NC[3x6]H)(NCH)(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NC[3x6]H)(NCH)(O)	H(NCC)	118.7420	0.503	4	118.7420	0.253	4	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	119.1558	2.351	12	119.1558	5.529	12	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NNiC)(NCH)(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NNiC)(NCH)(O)	H(NCC)	119.4595	0.488	4	119.4595	0.238	4	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	118.6600	0.000	1	118.6600	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)(NCN)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)(NCN)(O)	H(NCC)	119.5360	0.000	1	119.5360	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)(NCO)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)(NCO)(O)	H(NCC)	118.7825	0.474	2	118.7825	0.225	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	118.2029	1.650	19	118.2029	2.721	19	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)(NHN)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)(NHN)(O)	H(NCC)	118.6825	2.452	2	118.6825	6.010	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)(NHO)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)(NHO)(O)	H(NCC)	120.1450	0.000	1	120.1450	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)(NHS)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)(NHS)(O)	H(NCC)	118.5965	0.640	39	118.5965	0.410	39	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)2(O)	H(NCC)	118.8827	1.614	102	118.8827	2.604	102	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NC[3x6]H)(NCH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NC[3x6]H)(NCH)(O)	H(NCC)	120.1170	0.000	1	120.1170	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NC[4a]H)(NCH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NC[4a]H)(NCH)(O)	H(NCC)	120.4430	0.000	1	120.4430	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NC[5a]H)(NCH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NC[5a]H)(NCH)(O)	H(NCC)	118.4110	1.165	2	118.4110	1.358	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NC[6,6]H)(NCH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NC[6,6]H)(NCH)(O)	H(NCC)	120.1987	0.772	6	120.1987	0.595	6	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NCC)	119.0437	0.841	3	119.0437	0.707	3	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NC[6a]C)(NCH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NC[6a]C)(NCH)(O)	H(NCC)	117.8120	0.000	1	117.8120	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	118.8728	1.285	157	118.8728	1.651	157	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHN)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CCHN)(CNO)(H)	C(NCH)2(O)	H(NCC)	118.7060	0.000	1	118.7060	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHO)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CCHO)(CNO)(H)	C(NCH)2(O)	H(NCC)	112.0090	0.904	2	112.0090	0.817	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[5]CH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[5]CH)(CNO)(H)	C(NCH)2(O)	H(NCC)	118.3015	0.286	2	118.3015	0.082	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[5]HH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CC[5]HH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	116.3510	0.000	1	116.3510	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[5]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[5]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	118.7213	0.634	3	118.7213	0.402	3	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[5]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CC[5]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	118.5189	1.785	7	118.5189	3.185	7	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[6]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	118.5436	1.797	16	118.5436	3.231	16	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CC[6]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	119.6798	0.994	13	119.6798	0.988	13	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]2H)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[6a]2H)(CNO)(H)	C(NCH)2(O)	H(NCC)	119.5910	0.000	1	119.5910	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]CC)(CNO)(H)	C(NCH)(NHN)(O)	H(NCC)	N(CC[6a]CC)(CNO)(H)	C(NCH)(NHN)(O)	H(NCC)	115.1253	0.365	3	115.1253	0.133	3	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]CC)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CC[6a]CC)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	118.3419	0.437	7	118.3419	0.191	7	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CNO)(H)	C(NCH)(NHO)(O)	H(NCC)	N(CC[6a]CH)(CNO)(H)	C(NCH)(NHO)(O)	H(NCC)	118.5405	0.660	2	118.5405	0.435	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[6a]CH)(CNO)(H)	C(NCH)2(O)	H(NCC)	118.9340	0.646	22	118.9340	0.417	22	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CNO)(H)	C(NC[5a]C)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CNO)(H)	C(NC[5a]C)(NCH)(O)	H(NCC)	117.7110	0.000	1	117.7110	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	119.2735	0.648	2	119.2735	0.420	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	116.9400	0.000	1	116.9400	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CC[6a]HH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	117.3290	0.000	1	117.3290	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[6a]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	118.2438	2.186	34	118.2438	4.777	34	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CNO)(H)	C(NC[5a]H)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CNO)(H)	C(NC[5a]H)(NCH)(O)	H(NCC)	116.8980	0.000	1	116.8980	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	120.2095	3.276	8	120.2095	10.730	8	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]HN)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[6a]HN)(CNO)(H)	C(NCH)2(O)	H(NCC)	119.9170	0.000	1	119.9170	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]N[5]H)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CC[6a]N[5]H)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	119.5650	0.000	1	119.5650	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]N[6]H)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CC[6a]N[6]H)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	119.3055	1.230	2	119.3055	1.512	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CH3)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	N(CH3)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	120.0890	0.000	1	120.0890	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CH3)(CNO)(H)	C(NCH)(NCP)(O)	H(NCC)	N(CH3)(CNO)(H)	C(NCH)(NCP)(O)	H(NCC)	121.4270	0.000	1	121.4270	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CH3)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CH3)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	117.0588	0.262	17	117.0588	0.069	17	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CH3)(CNO)(H)	C(NCH)(NHO)(O)	H(NCC)	N(CH3)(CNO)(H)	C(NCH)(NHO)(O)	H(NCC)	116.8220	0.000	1	116.8220	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CH3)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CH3)(CNO)(H)	C(NCH)2(O)	H(NCC)	119.3003	1.818	18	119.3003	3.306	18	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CH3)(CNO)(H)	C(NC[5]C)(NCH)(O)	H(NCC)	N(CH3)(CNO)(H)	C(NC[5]C)(NCH)(O)	H(NCC)	120.8430	0.000	1	120.8430	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CH3)(CNO)(H)	C(NC[5]H)(NCH)(O)	H(NCC)	N(CH3)(CNO)(H)	C(NC[5]H)(NCH)(O)	H(NCC)	118.1770	0.000	1	118.1770	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CH3)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NCC)	N(CH3)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NCC)	117.8240	0.000	1	117.8240	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CH3)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CH3)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	118.9328	1.106	6	118.9328	1.224	6	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CHHN)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CHHN)(CNO)(H)	C(NCH)2(O)	H(NCC)	117.5277	1.480	3	117.5277	2.189	3	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CHHS)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CHHS)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	119.6513	0.388	4	119.6513	0.150	4	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CN[5]CH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CN[5]CH)(CNO)(H)	C(NCH)2(O)	H(NCC)	113.8550	0.000	1	113.8550	0.000	1	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CSiCH)(CNO)(H)	C(NCH)(NCO)(O)	H(NCC)	N(CSiCH)(CNO)(H)	C(NCH)(NCO)(O)	H(NCC)	119.8685	1.435	2	119.8685	2.058	2	118.6821	2.718	619	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC3)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	N(CC3)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	116.9165	5.038	2	116.9165	25.383	2	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC3)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC3)(CNS)(H)	C(NCH)2(S)	H(NCC)	114.5430	0.129	2	114.5430	0.017	2	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC3)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC3)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	114.8060	0.225	2	114.8060	0.051	2	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCCH)(CNS)(H)	C(NCH)(NHP)(S)	H(NCC)	N(CCCH)(CNS)(H)	C(NCH)(NHP)(S)	H(NCC)	116.6820	0.677	4	116.6820	0.458	4	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCCH)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CCCH)(CNS)(H)	C(NCH)2(S)	H(NCC)	117.9353	1.854	19	117.9353	3.438	19	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCCH)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	N(CCCH)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	116.1800	0.000	1	116.1800	0.000	1	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCCH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CCCH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	118.1778	3.355	6	118.1778	11.257	6	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	116.9905	1.752	50	116.9905	3.070	50	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCHH)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)2(S)	H(NCC)	118.0010	2.018	47	118.0010	4.072	47	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCHH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CCHH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	117.8294	1.312	67	117.8294	1.722	67	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCHP)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CCHP)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	114.7793	1.642	4	114.7793	2.695	4	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5]CH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[5]CH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	118.3830	1.749	5	118.3830	3.059	5	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5]HH)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[5]HH)(CNS)(H)	C(NCH)2(S)	H(NCC)	119.7410	3.337	3	119.7410	11.136	3	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5]HH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[5]HH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	118.1983	1.229	4	118.1983	1.510	4	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5a]HH)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[5a]HH)(CNS)(H)	C(NCH)2(S)	H(NCC)	118.4520	0.000	1	118.4520	0.000	1	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6,6]C[6a]H)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[6,6]C[6a]H)(CNS)(H)	C(NCH)2(S)	H(NCC)	118.0445	0.278	2	118.0445	0.077	2	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6,6]C[6a]H)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[6,6]C[6a]H)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	116.5920	0.000	1	116.5920	0.000	1	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6]CH)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	N(CC[6]CH)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	112.5860	0.000	1	112.5860	0.000	1	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6]CH)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[6]CH)(CNS)(H)	C(NCH)2(S)	H(NCC)	117.8680	0.000	1	117.8680	0.000	1	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6]HH)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[6]HH)(CNS)(H)	C(NCH)2(S)	H(NCC)	115.6230	0.000	1	115.6230	0.000	1	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6]HH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[6]HH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	118.5515	2.794	2	118.5515	7.805	2	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]3)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[6a]3)(CNS)(H)	C(NCH)2(S)	H(NCC)	112.9350	3.235	7	112.9350	10.463	7	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]3)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	N(CC[6a]3)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	113.2680	1.512	4	113.2680	2.286	4	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]CH)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[6a]CH)(CNS)(H)	C(NCH)2(S)	H(NCC)	116.5435	1.174	8	116.5435	1.378	8	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]CH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[6a]CH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	116.0880	0.000	1	116.0880	0.000	1	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]HH)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	N(CC[6a]HH)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	117.2623	0.809	11	117.2623	0.654	11	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]HH)(CNS)(H)	C(NCH)(NHP)(S)	H(NCC)	N(CC[6a]HH)(CNS)(H)	C(NCH)(NHP)(S)	H(NCC)	118.2040	0.000	1	118.2040	0.000	1	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]HH)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[6a]HH)(CNS)(H)	C(NCH)2(S)	H(NCC)	117.6774	1.065	18	117.6774	1.135	18	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]HH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[6a]HH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	118.2990	1.486	2	118.2990	2.209	2	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]HP)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CC[6a]HP)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	116.7790	0.000	1	116.7790	0.000	1	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CH3)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	N(CH3)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	120.4903	0.880	3	120.4903	0.774	3	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHH)(S)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHH)(S)	H(NCC)	117.8889	1.123	7	117.8889	1.262	7	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	117.3760	2.251	62	117.3760	5.066	62	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CH3)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)2(S)	H(NCC)	117.6854	1.370	13	117.6854	1.878	13	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CH3)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	N(CH3)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	117.8790	0.000	1	117.8790	0.000	1	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CH3)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CH3)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	117.8605	0.902	6	117.8605	0.815	6	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CSiHH)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	N(CSiHH)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	118.4720	0.000	1	118.4720	0.000	1	117.4176	4.110	371	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:P-3:O-1:	N-3:	N(CCHH)(COP)(H)	C(NCH)(PHH)(O)	H(NCC)	N(CCHH)(COP)(H)	C(NCH)(PHH)(O)	H(NCC)	119.7080	0.000	1	119.7080	0.000	1	119.7475	0.003	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:P-3:O-1:	N-3:	N(CC[5]HH)(COP)(H)	C(NCH)(PHH)(O)	H(NCC)	N(CC[5]HH)(COP)(H)	C(NCH)(PHH)(O)	H(NCC)	119.7870	0.000	1	119.7870	0.000	1	119.7475	0.003	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N[3]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CN[3]O)(H)	C(N[3]C[3]2)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CN[3]O)(H)	C(N[3]C[3]2)(NCH)(O)	H(NCC)	117.2520	0.000	1	117.2520	0.000	1	117.2520	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CN[5]O)(H)	C(N[5]C[5,5]C[5])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CN[5]O)(H)	C(N[5]C[5,5]C[5])(NCH)(O)	H(NCC)	119.6355	1.196	2	119.6355	1.430	2	119.6355	1.430	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N[5a]-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CN[5a]O)(H)	C(N[5a]C[5a,6a]C[5a])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CN[5a]O)(H)	C(N[5a]C[5a,6a]C[5a])(NCH)(O)	H(NCC)	122.5280	0.000	1	122.5280	0.000	1	122.5280	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N[6,6]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CN[6,6]O)(H)	C(N[6,6]C[3x6]O[6,6])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CN[6,6]O)(H)	C(N[6,6]C[3x6]O[6,6])(NCH)(O)	H(NCC)	119.2090	1.124	2	119.2090	1.264	2	119.2090	1.264	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N[6]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CN[6]O)(H)	C(N[6]C[6]N[6])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CN[6]O)(H)	C(N[6]C[6]N[6])(NCH)(O)	H(NCC)	118.9655	0.600	4	118.9655	0.359	4	118.9655	0.359	4	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	P-3:N-3:O-1:	N-3:	N(CCHH)(COP)(H)	C(PC[6a]2)(NCH)(O)	H(NCC)	N(CCHH)(COP)(H)	C(PC[6a]2)(NCH)(O)	H(NCC)	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[5a]-3:N-3:H-1:	N-3:	N(C[3]C[3]2H)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[3]H)(H)	H(NC[3]C)	N(C[3]C[3]2H)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[3]H)(H)	H(NC[3]C)	121.8820	0.000	1	121.8820	0.000	1	121.8820	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(C[3]C[3]2H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(NC[3]H)(H)	H(NC[3]C)	N(C[3]C[3]2H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(NC[3]H)(H)	H(NC[3]C)	116.5560	0.000	1	116.5560	0.000	1	116.5560	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[3]C[3]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3]H)(O)	H(NC[3]C)	N(C[3]C[3]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3]H)(O)	H(NC[3]C)	120.1585	0.776	2	120.1585	0.602	2	120.3422	0.399	4	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[3]C[3]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3]H)(O)	H(NC[3]C)	N(C[3]C[3]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3]H)(O)	H(NC[3]C)	120.5260	0.677	2	120.5260	0.459	2	120.3422	0.399	4	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3x6]-4:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(C[3x6]C[6,6]3)(CC[5]O)(H)	C(C[5]C[5]2)(NC[3x6]H)(O)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CC[5]O)(H)	C(C[5]C[5]2)(NC[3x6]H)(O)	H(NC[3x6]C)	114.5730	0.000	1	114.5730	0.000	1	114.5730	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3x6]-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[3x6]C[6,6]3)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[3x6]H)(O)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NC[3x6]H)(O)	H(NC[3x6]C)	120.1720	0.000	1	120.1720	0.000	1	120.1720	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3x6]-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[3x6]C[6,6]3)(CC[6]H)(H)	C(C[6]C[6]2)(NC[3x6]H)(H)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CC[6]H)(H)	C(C[6]C[6]2)(NC[3x6]H)(H)	H(NC[3x6]C)	113.3770	0.000	1	113.3770	0.000	1	113.3770	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3x6]-4:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C(C[6]C[6]2)(NC[3x6]H)(O)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C(C[6]C[6]2)(NC[3x6]H)(O)	H(NC[3x6]C)	117.4985	0.092	4	117.4985	0.009	4	117.4985	0.009	4	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3x6]-4:C-3:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(C[3x6]C[6,6]3)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(NC[3x6]H)(H)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(NC[3x6]H)(H)	H(NC[3x6]C)	118.0480	0.000	1	118.0480	0.000	1	118.0480	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3x6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[3x6]C[5,6,6]2C[6,6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	H(NC[3x6]C)	N(C[3x6]C[5,6,6]2C[6,6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	H(NC[3x6]C)	119.1990	0.000	1	119.1990	0.000	1	117.7551	3.878	19	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3x6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	H(NC[3x6]C)	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	H(NC[3x6]C)	117.1848	1.267	10	117.1848	1.606	10	117.7551	3.878	19	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3x6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	H(NC[3x6]C)	118.2875	2.612	8	118.2875	6.821	8	117.7551	3.878	19	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3x6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[3x6]C[6,6]3)(CNO)(H)	C(NC[3x6]H)(NCH)(O)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CNO)(H)	C(NC[3x6]H)(NCH)(O)	H(NC[3x6]C)	117.4107	0.861	6	117.4107	0.741	6	117.4107	0.741	6	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[3x6]-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[3x6]C[6,6]3)(CNS)(H)	C(NC[3x6]H)(NC[6a]H)(S)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CNS)(H)	C(NC[3x6]H)(NC[6a]H)(S)	H(NC[3x6]C)	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[4]-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[5a]N)(NC[4]H)(O)	H(NC[4]C)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[5a]N)(NC[4]H)(O)	H(NC[4]C)	119.8610	0.000	1	119.8610	0.000	1	119.8610	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[4]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[4]C[4,5]C[4]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[4]H)(O)	H(NC[4]C)	N(C[4]C[4,5]C[4]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[4]H)(O)	H(NC[4]C)	118.9570	0.000	1	118.9570	0.000	1	119.4170	0.423	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[4]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[4]C[4,5]C[4]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[4]H)(O)	H(NC[4]C)	N(C[4]C[4,5]C[4]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[4]H)(O)	H(NC[4]C)	119.8770	0.000	1	119.8770	0.000	1	119.4170	0.423	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5,5,6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	C(NC[5,5,6]H)2(O)	H(NC[5,5,6]C)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	C(NC[5,5,6]H)2(O)	H(NC[5,5,6]C)	119.1650	0.000	1	119.1650	0.000	1	119.1650	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6]H)(H)	C(C[6]C[6]2)(NC[5,6]H)(H)	H(NC[5,6]C)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6]H)(H)	C(C[6]C[6]2)(NC[5,6]H)(H)	H(NC[5,6]C)	112.7060	0.057	2	112.7060	0.003	2	112.7060	0.003	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5,6]H)(O)	H(NC[5,6]C)	N(C[5,6]C[5,5,6]C[5,6]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5,6]H)(O)	H(NC[5,6]C)	119.4620	2.091	5	119.4620	4.372	5	118.6289	3.914	10	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5,6]H)(O)	H(NC[5,6]C)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5,6]H)(O)	H(NC[5,6]C)	117.3943	1.524	3	117.3943	2.321	3	118.6289	3.914	10	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5,6]H)(O)	H(NC[5,6]C)	N(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5,6]H)(O)	H(NC[5,6]C)	118.3980	2.225	2	118.3980	4.949	2	118.6289	3.914	10	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5,6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5,6]C[5,6]C[5]C[6])(CNO)(H)	C(NC[5,6]H)(NCC)(O)	H(NC[5,6]C)	N(C[5,6]C[5,6]C[5]C[6])(CNO)(H)	C(NC[5,6]H)(NCC)(O)	H(NC[5,6]C)	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(C[5]C[5]2Fe)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(CC[5]O)(H)	C(C[5]C[5]N[5])(NC[5]H)(O)	H(NC[5]C)	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	117.7340	0.767	2	117.7340	0.588	2	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	118.9338	0.896	4	118.9338	0.803	4	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	119.0485	0.907	2	119.0485	0.823	2	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	118.6060	0.000	1	118.6060	0.000	1	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	119.0084	1.690	19	119.0084	2.858	19	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5]2Fe)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	118.5344	4.148	8	118.5344	17.209	8	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5]2Fe)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	H(NC[5]C)	114.7615	2.433	2	114.7615	5.920	2	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	119.1687	1.041	9	119.1687	1.083	9	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	114.8260	0.000	1	114.8260	0.000	1	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	119.2635	0.523	2	119.2635	0.273	2	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[5]H)(O)	H(NC[5]C)	120.0710	0.553	2	120.0710	0.306	2	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(O)	H(NC[5]C)	118.9750	0.438	2	118.9750	0.192	2	118.7190	4.679	54	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(C[5]C[5,6a]C[5]H)(CC[6a]S)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(S)	H(NC[5]C)	N(C[5]C[5,6a]C[5]H)(CC[6a]S)(H)	C(C[6a]C[6a]N[6a])(NC[5]H)(S)	H(NC[5]C)	117.9500	0.000	1	117.9500	0.000	1	117.9500	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[5]C[5]N[5]H)(CCO)(H)	C(NC[5]H)(CCC)(O)	H(NC[5]C)	N(C[5]C[5]N[5]H)(CCO)(H)	C(NC[5]H)(CCC)(O)	H(NC[5]C)	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]C[5,5]O[5]C)(CNO)(H)	C(NC[5]H)(NHH)(O)	H(NC[5]C)	N(C[5]C[5,5]O[5]C)(CNO)(H)	C(NC[5]H)(NHH)(O)	H(NC[5]C)	117.7660	0.000	1	117.7660	0.000	1	116.9639	23.170	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]C[5,6a]C[5]C)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]C)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[5]C)	120.1820	0.000	1	120.1820	0.000	1	116.9639	23.170	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]C[5,6a]C[5]H)(CNO)(H)	C(NC[5]H)(NCH)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]H)(CNO)(H)	C(NC[5]H)(NCH)(O)	H(NC[5]C)	106.8160	0.000	1	106.8160	0.000	1	116.9639	23.170	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]C[5]2C)(CNO)(H)	C(NC[5]H)(NCC)(O)	H(NC[5]C)	N(C[5]C[5]2C)(CNO)(H)	C(NC[5]H)(NCC)(O)	H(NC[5]C)	121.1770	0.000	1	121.1770	0.000	1	116.9639	23.170	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]C[5]2Fe)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[5]C)	118.4690	0.000	1	118.4690	0.000	1	116.9639	23.170	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]C[5]2H)(CNO)(H)	C(NC[5]H)(NHH)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CNO)(H)	C(NC[5]H)(NHH)(O)	H(NC[5]C)	118.7400	0.000	1	118.7400	0.000	1	116.9639	23.170	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5]C[5]2H)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	H(NC[5]C)	115.5970	0.000	1	115.5970	0.000	1	116.9639	23.170	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[5]C[5]2H)(CNS)(H)	C(NC[6a]H)(NC[5]H)(S)	H(NC[5]C)	N(C[5]C[5]2H)(CNS)(H)	C(NC[6a]H)(NC[5]H)(S)	H(NC[5]C)	114.3160	0.000	1	114.3160	0.000	1	114.3160	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	N-3:P-3:O-1:	N-3:	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PHH)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PHH)(O)	H(NC[5]C)	118.3100	0.000	1	118.3100	0.000	1	118.3100	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5]-4:C-3:H-1:	P-3:N-3:O-1:	N-3:	N(C[5]C[5]2Fe)(COP)(H)	C(PC[6a]2)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(COP)(H)	C(PC[6a]2)(NC[5]H)(O)	H(NC[5]C)	117.2670	0.000	1	117.2670	0.000	1	117.2670	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6,6]H)(O)	H(NC[6,6]C)	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6,6]H)(O)	H(NC[6,6]C)	119.4620	0.000	1	119.4620	0.000	1	119.4620	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6,6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	C(NC[6,6]H)(NCH)(O)	H(NC[6,6]C)	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	C(NC[6,6]H)(NCH)(O)	H(NC[6,6]C)	118.8375	0.524	6	118.8375	0.275	6	118.8375	0.275	6	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6]C)(NC[6]H)(H)	H(NC[6]C)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6]C)(NC[6]H)(H)	H(NC[6]C)	119.0940	0.000	1	119.0940	0.000	1	117.9015	2.844	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6a]C)(NC[6]H)(H)	H(NC[6]C)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6a]C)(NC[6]H)(H)	H(NC[6]C)	116.7090	0.000	1	116.7090	0.000	1	117.9015	2.844	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CC[5a]O)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CC[5a]O)(NC[6]H)(O)	H(NC[6]C)	118.2460	2.367	2	118.2460	5.605	2	117.9732	1.519	5	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]C)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]C)(NC[6]H)(O)	H(NC[6]C)	117.4450	0.000	1	117.4450	0.000	1	117.9732	1.519	5	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]O)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]O)(NC[6]H)(O)	H(NC[6]C)	117.9645	0.213	2	117.9645	0.045	2	117.9732	1.519	5	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5,6]C[5])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5,6]C[5])(NC[6]H)(O)	H(NC[6]C)	118.1210	0.000	1	118.1210	0.000	1	118.1210	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a]-3:N-3:H-1:	N-3:	N(C[6]C[6]2H)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[6]H)(H)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(NC[6]H)(H)	H(NC[6]C)	120.8824	3.767	11	120.8824	14.194	11	120.8824	14.194	11	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5a]O)(H)	C(C[5a]C[5a,6a]N[5a])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5a]O)(H)	C(C[5a]C[5a,6a]N[5a])(NC[6]H)(O)	H(NC[6]C)	118.5120	1.415	4	118.5120	2.002	4	118.3475	0.747	10	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NC[6]H)(O)	H(NC[6]C)	118.2378	0.328	6	118.2378	0.108	6	118.3475	0.747	10	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[6]C[6]2H)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6]H)(H)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(NC[6]H)(H)	H(NC[6]C)	111.9635	3.808	2	111.9635	14.499	2	116.5710	34.072	4	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:N-3:H-1:	N-3:	N(C[6]C[6]2H)(CC[6]H)(H)	C(C[6]C[6]2)(NC[6]H)(H)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6]H)(H)	C(C[6]C[6]2)(NC[6]H)(H)	H(NC[6]C)	121.1785	1.674	2	121.1785	2.801	2	116.5710	34.072	4	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6]H)(O)	H(NC[6]C)	118.8540	0.000	1	118.8540	0.000	1	118.8540	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:N-3:S-1:	N-3:	N(C[6]C[6]2H)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6]H)(S)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6]S)(H)	C(C[6]C[6]N[6])(NC[6]H)(S)	H(NC[6]C)	118.3340	0.000	1	118.3340	0.000	1	118.3340	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:H-1:	N-3:	N(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)	H(NC[6]C)	117.3741	3.447	7	117.3741	11.883	7	117.3741	11.883	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	119.0965	0.194	2	119.0965	0.038	2	118.6837	3.116	90	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6,6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6,6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	117.6490	0.000	1	117.6490	0.000	1	118.6837	3.116	90	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	120.3530	0.000	1	120.3530	0.000	1	118.6837	3.116	90	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(O)	H(NC[6]C)	121.8720	0.000	1	121.8720	0.000	1	118.6837	3.116	90	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	118.2434	1.468	19	118.2434	2.155	19	118.6837	3.116	90	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	H(NC[6]C)	115.9322	1.946	4	115.9322	3.788	4	118.6837	3.116	90	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2Cr)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2Cr)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	115.7710	0.000	1	115.7710	0.000	1	118.6837	3.116	90	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	H(NC[6]C)	119.8130	0.000	1	119.8130	0.000	1	118.6837	3.116	90	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	119.0984	1.581	52	119.0984	2.498	52	118.6837	3.116	90	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	H(NC[6]C)	117.7378	2.513	5	117.7378	6.314	5	118.6837	3.116	90	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	H(NC[6]C)	118.5740	1.217	3	118.5740	1.482	3	118.6837	3.116	90	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:C-3:H-1:	N-3:	N(C[6]C[6]2H)(CCH)(H)	C(NC[6]H)(CCH)(H)	H(NC[6]C)	N(C[6]C[6]2H)(CCH)(H)	C(NC[6]H)(CCH)(H)	H(NC[6]C)	119.5030	0.000	1	119.5030	0.000	1	119.5030	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CNO)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CNO)(O)	H(NC[6]C)	116.2850	0.000	1	116.2850	0.000	1	119.0353	8.853	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCC)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCC)(O)	H(NC[6]C)	118.4155	0.267	2	118.4155	0.071	2	119.0353	8.853	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCH)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCH)(O)	H(NC[6]C)	119.4213	3.695	9	119.4213	13.656	9	119.0353	8.853	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCN)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCN)(O)	H(NC[6]C)	118.3100	0.000	1	118.3100	0.000	1	119.0353	8.853	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHH)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHH)(O)	H(NC[6]C)	121.0090	0.000	1	121.0090	0.000	1	119.0353	8.853	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:C-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(COO)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(COO)(O)	H(NC[6]C)	118.3030	0.000	1	118.3030	0.000	1	119.0353	8.853	15	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:C-3:S-1:	N-3:	N(C[6]C[6]2H)(CCS)(H)	C(NC[6]H)(COO)(S)	H(NC[6]C)	N(C[6]C[6]2H)(CCS)(H)	C(NC[6]H)(COO)(S)	H(NC[6]C)	119.1025	0.067	2	119.1025	0.005	2	119.1025	0.005	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[5,6]C[6]H)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[5,6]C[6]H)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	119.6880	0.000	2	119.6880	0.000	2	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6,6]C[6]H)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6,6]C[6]H)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	119.0780	0.000	2	119.0780	0.000	2	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C(NC[6]H)2(O)	H(NC[6]C)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C(NC[6]H)2(O)	H(NC[6]C)	115.4117	1.585	3	115.4117	2.511	3	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6,6a]N[6]H)(CNO)(H)	C(NC[6]H)(NHH)(O)	H(NC[6]C)	N(C[6]C[6,6a]N[6]H)(CNO)(H)	C(NC[6]H)(NHH)(O)	H(NC[6]C)	118.3990	0.000	1	118.3990	0.000	1	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]2Cr)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NC[6]C)	N(C[6]C[6]2Cr)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NC[6]C)	114.0940	0.000	1	114.0940	0.000	1	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]2Cr)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2Cr)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	115.8320	0.000	1	115.8320	0.000	1	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]C)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]C)(NC[6]H)(O)	H(NC[6]C)	118.9334	1.339	16	118.9334	1.793	16	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NCC)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NCC)(O)	H(NC[6]C)	120.4295	0.210	2	120.4295	0.044	2	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NC[6]C)	117.9778	1.600	4	117.9778	2.560	4	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NHS)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]H)(NHS)(O)	H(NC[6]C)	119.4525	0.811	4	119.4525	0.659	4	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CNO)(H)	C(NC[6a]C)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6a]C)(NC[6]H)(O)	H(NC[6]C)	119.9380	0.000	1	119.9380	0.000	1	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	H(NC[6]C)	118.7096	2.099	13	118.7096	4.406	13	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6]O[6]H)(CNO)(H)	C(NC[6]H)(NHH)(O)	H(NC[6]C)	N(C[6]C[6]O[6]H)(CNO)(H)	C(NC[6]H)(NHH)(O)	H(NC[6]C)	118.8840	0.000	1	118.8840	0.000	1	118.5814	3.415	51	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NC[6]C)	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NC[6]C)	117.1832	1.128	21	117.1832	1.272	21	117.3508	2.258	52	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)(NHN)(S)	H(NC[6]C)	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)(NHN)(S)	H(NC[6]C)	117.0967	2.012	14	117.0967	4.048	14	117.3508	2.258	52	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6]C[6]2H)(CNS)(H)	C(NC[6a]H)(NC[6]H)(S)	H(NC[6]C)	N(C[6]C[6]2H)(CNS)(H)	C(NC[6a]H)(NC[6]H)(S)	H(NC[6]C)	117.5774	1.298	12	117.5774	1.684	12	117.3508	2.258	52	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6]C[6]O[6]H)(CNS)(H)	C(NC[6]H)(NHH)(S)	H(NC[6]C)	N(C[6]C[6]O[6]H)(CNS)(H)	C(NC[6]H)(NHH)(S)	H(NC[6]C)	121.1940	0.000	1	121.1940	0.000	1	117.3508	2.258	52	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6]C[6]O[6]H)(CNS)(H)	C(NC[6]H)(NHN)(S)	H(NC[6]C)	N(C[6]C[6]O[6]H)(CNS)(H)	C(NC[6]H)(NHN)(S)	H(NC[6]C)	117.4795	0.739	4	117.4795	0.546	4	117.3508	2.258	52	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:Se-1:	N-3:	N(C[6]C[6]2H)(CSeN)(H)	C(NC[6]H)(NCC)(Se)	H(NC[6]C)	N(C[6]C[6]2H)(CSeN)(H)	C(NC[6]H)(NCC)(Se)	H(NC[6]C)	120.4890	1.375	6	120.4890	1.889	6	120.4890	1.889	6	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	H(NC[6]C)	118.1060	0.000	1	118.1060	0.000	1	118.7495	0.828	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]S[5])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]S[5])(NC[6]H)(O)	H(NC[6]C)	119.3930	0.000	1	119.3930	0.000	1	118.7495	0.828	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N[5]-3:N-3:S-1:	N-3:	N(C[6]C[6]2H)(CN[5]S)(H)	C(N[5]C[5]2)(NC[6]H)(S)	H(NC[6]C)	N(C[6]C[6]2H)(CN[5]S)(H)	C(N[5]C[5]2)(NC[6]H)(S)	H(NC[6]C)	117.1310	0.000	1	117.1310	0.000	1	117.1310	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N[5]-3:N-3:Se-1:	N-3:	N(C[6]C[6]2H)(CN[5]Se)(H)	C(N[5]C[5]2)(NC[6]H)(Se)	H(NC[6]C)	N(C[6]C[6]2H)(CN[5]Se)(H)	C(N[5]C[5]2)(NC[6]H)(Se)	H(NC[6]C)	119.6615	0.540	2	119.6615	0.291	2	119.6615	0.291	2	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N[6]-3:N-3:Se-1:	N-3:	N(C[6]C[6]2H)(CN[6]Se)(H)	C(N[6]C[6]2)(NC[6]H)(Se)	H(NC[6]C)	N(C[6]C[6]2H)(CN[6]Se)(H)	C(N[6]C[6]2)(NC[6]H)(Se)	H(NC[6]C)	120.3530	1.388	3	120.3530	1.927	3	120.3530	1.927	3	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	P-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(COP)(H)	C(PC[6a]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(COP)(H)	C(PC[6a]2)(NC[6]H)(O)	H(NC[6]C)	116.6190	0.000	1	116.6190	0.000	1	116.6190	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(NH3)(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	N(NH3)(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	123.8970	0.000	1	123.8970	0.000	1	121.2356	25.705	10	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(NH3)(CNO)(H)	C(NHN)2(O)	H(NCN)	N(NH3)(CNO)(H)	C(NHN)2(O)	H(NCN)	120.9399	5.285	9	120.9399	27.935	9	121.2356	25.705	10	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NH3)(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	N(NH3)(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	120.4245	1.408	2	120.4245	1.982	2	119.3392	7.240	5	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NH3)(CNS)(H)	C(NHN)2(S)	H(NCN)	N(NH3)(CNS)(H)	C(NHN)2(S)	H(NCN)	118.6157	3.395	3	118.6157	11.525	3	119.3392	7.240	5	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(PC[6a]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	H(NCP)	N(PC[6a]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	H(NCP)	116.4030	0.000	1	116.4030	0.000	1	116.5580	5.140	4	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(PN[6]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	H(NCP)	N(PN[6]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHP)(O)	H(NCP)	116.6097	2.774	3	116.6097	7.693	3	116.5580	5.140	4	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(PO3)(CNS)(H)	C(NCH)(NHP)(S)	H(NCP)	N(PO3)(CNS)(H)	C(NCH)(NHP)(S)	H(NCP)	115.2535	0.515	2	115.2535	0.266	2	115.3876	0.429	19	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(POOS)(CNS)(H)	C(NCH)(NHP)(S)	H(NCP)	N(POOS)(CNS)(H)	C(NCH)(NHP)(S)	H(NCP)	115.6697	0.522	3	115.6697	0.272	3	115.3876	0.429	19	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	P-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(POOS)(CNS)(H)	C(NC[6a]H)(NHP)(S)	H(NCP)	N(POOS)(CNS)(H)	C(NC[6a]H)(NHP)(S)	H(NCP)	115.3463	0.713	14	115.3463	0.508	14	115.3876	0.429	19	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	P[6]-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(P[6]N[6]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NP[6]H)(O)	H(NP[6]C)	N(P[6]N[6]2O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NP[6]H)(O)	H(NP[6]C)	116.1720	0.000	1	116.1720	0.000	1	116.1720	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	H(NCS)	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	H(NCS)	120.2380	0.000	1	120.2380	0.000	1	119.8976	0.975	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	H(NCS)	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	H(NCS)	121.1650	0.000	1	121.1650	0.000	1	119.8976	0.975	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(SC[6a]OO)(CCH)(H)	C(CCC)(NHS)(H)	H(NCS)	N(SC[6a]OO)(CCH)(H)	C(CCC)(NHS)(H)	H(NCS)	121.2250	0.000	1	121.2250	0.000	1	119.8976	0.975	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(SC[6a]OO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	H(NCS)	N(SC[6a]OO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	H(NCS)	118.9515	0.107	2	118.9515	0.011	2	119.8976	0.975	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(SC[6a]OO)(CCH)(H)	C(CC[6a]C)(NHS)(H)	H(NCS)	N(SC[6a]OO)(CCH)(H)	C(CC[6a]C)(NHS)(H)	H(NCS)	119.2830	0.000	1	119.2830	0.000	1	119.8976	0.975	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	H(NCS)	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	H(NCS)	119.4690	0.000	1	119.4690	0.000	1	119.8976	0.975	7	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CCC)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CCC)(NHS)(O)	H(NCS)	118.4530	0.000	1	118.4530	0.000	1	118.4542	0.554	11	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CCH)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CCH)(NHS)(O)	H(NCS)	119.4505	0.340	2	119.4505	0.116	2	118.4542	0.554	11	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C)(NHS)(O)	H(NCS)	118.3539	0.533	7	118.3539	0.284	7	118.4542	0.554	11	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5])(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5])(NHS)(O)	H(NCS)	117.1650	0.000	1	117.1650	0.000	1	118.4542	0.554	11	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C[5]-3:N-3:H-1:	N-3:	N(SC[6a]OO)(CC[5]H)(H)	C(C[5]C[5,6a]2)(NHS)(H)	H(NCS)	N(SC[6a]OO)(CC[5]H)(H)	C(C[5]C[5,6a]2)(NHS)(H)	H(NCS)	118.3590	0.000	1	118.3590	0.000	1	118.3590	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NHS)(O)	H(NCS)	N(SC[6a]OO)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NHS)(O)	H(NCS)	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C[6a]-3:N-3:N-1:	N-3:	N(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHS)(N)	H(NCS)	N(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHS)(N)	H(NCS)	117.1640	0.000	1	117.1640	0.000	1	117.1640	0.000	1	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	121.4275	2.902	56	121.4275	8.419	56	121.4275	8.419	56	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(SCOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NCS)	N(SCOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NCS)	116.9600	0.000	1	116.9600	0.000	1	117.7646	3.427	84	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(SC[5a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NCS)	N(SC[5a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NCS)	118.6077	0.924	4	118.6077	0.853	4	117.7646	3.427	84	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CNO)(H)	C(NCH)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CNO)(H)	C(NCH)(NHS)(O)	H(NCS)	117.4412	1.230	41	117.4412	1.512	41	117.7646	3.427	84	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CNO)(H)	C(NC[6]H)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CNO)(H)	C(NC[6]H)(NHS)(O)	H(NCS)	119.2343	2.961	4	119.2343	8.766	4	117.7646	3.427	84	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NCS)	117.3419	2.957	16	117.3419	8.745	16	117.7646	3.427	84	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CNO)(H)	C(NHN)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CNO)(H)	C(NHN)(NHS)(O)	H(NCS)	118.2904	1.514	14	118.2904	2.292	14	117.7646	3.427	84	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CNO)(H)	C(NN[5]H)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CNO)(H)	C(NN[5]H)(NHS)(O)	H(NCS)	118.9437	1.785	3	118.9437	3.186	3	117.7646	3.427	84	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(SNOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NCS)	N(SNOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NCS)	118.4430	0.000	1	118.4430	0.000	1	117.7646	3.427	84	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	H(NCS)	118.2233	0.531	3	118.2233	0.282	3	118.3397	0.242	4	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(SN[5]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	H(NCS)	N(SN[5]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	H(NCS)	118.6890	0.000	1	118.6890	0.000	1	118.3397	0.242	4	118.4702	5.110	2479	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:N-2:	N-3:	N(CC3)(CCN)(H)	C(CCC)(NCH)(NS)	H(NCC)	N(CC3)(CCN)(H)	C(CCC)(NCH)(NS)	H(NCC)	116.2090	0.000	1	116.2090	0.000	1	114.8230	7.623	6	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:N-2:	N-3:	N(CC3)(CCN)(H)	C(CC[6a]N)(NCH)(NO)	H(NCC)	N(CC3)(CCN)(H)	C(CC[6a]N)(NCH)(NO)	H(NCC)	109.6860	0.000	1	109.6860	0.000	1	114.8230	7.623	6	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:N-2:	N-3:	N(CC3)(CCN)(H)	C(CFeC)(NCH)(NC)	H(NCC)	N(CC3)(CCN)(H)	C(CFeC)(NCH)(NC)	H(NCC)	113.6690	0.000	1	113.6690	0.000	1	114.8230	7.623	6	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:N-2:	N-3:	N(CC3)(CCN)(H)	C(CNO)(NCH)(NS)	H(NCC)	N(CC3)(CCN)(H)	C(CNO)(NCH)(NS)	H(NCC)	116.6735	0.418	2	116.6735	0.175	2	114.8230	7.623	6	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:N-2:	N-3:	N(CC[6a]HH)(CCN)(H)	C(CHN)(NCH)(NO)	H(NCC)	N(CC[6a]HH)(CCN)(H)	C(CHN)(NCH)(NO)	H(NCC)	116.0270	0.000	1	116.0270	0.000	1	114.8230	7.623	6	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:O-2:	N-3:	N(CC3)(CCO)(H)	C(CCC)(NCH)(OIr)	H(NCC)	N(CC3)(CCO)(H)	C(CCC)(NCH)(OIr)	H(NCC)	116.5110	0.000	1	116.5110	0.000	1	117.5306	5.216	9	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:O-2:	N-3:	N(CCCH)(CCO)(H)	C(CCC)(NCH)(OH)	H(NCC)	N(CCCH)(CCO)(H)	C(CCC)(NCH)(OH)	H(NCC)	117.8720	0.387	2	117.8720	0.150	2	117.5306	5.216	9	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:O-2:	N-3:	N(CCCH)(CCO)(H)	C(CCP)(NCH)(OH)	H(NCC)	N(CCCH)(CCO)(H)	C(CCP)(NCH)(OH)	H(NCC)	112.0820	0.000	1	112.0820	0.000	1	117.5306	5.216	9	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:O-2:	N-3:	N(CH3)(CCO)(H)	C(CCC)(NCH)(OH)	H(NCC)	N(CH3)(CCO)(H)	C(CCC)(NCH)(OH)	H(NCC)	118.6876	0.990	5	118.6876	0.981	5	117.5306	5.216	9	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:S-2:	N-3:	N(CCHH)(CCS)(H)	C(CCS)(NCH)(SC)	H(NCC)	N(CCHH)(CCS)(H)	C(CCS)(NCH)(SC)	H(NCC)	118.3670	2.643	2	118.3670	6.986	2	116.2854	6.656	5	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:S-2:	N-3:	N(CC[6a]HH)(CCS)(H)	C(CCC)(NCH)(SC)	H(NCC)	N(CC[6a]HH)(CCS)(H)	C(CCC)(NCH)(SC)	H(NCC)	113.5910	0.000	1	113.5910	0.000	1	116.2854	6.656	5	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:S-2:	N-3:	N(CH3)(CCS)(H)	C(CCS)(NCH)(SC)	H(NCC)	N(CH3)(CCS)(H)	C(CCS)(NCH)(SC)	H(NCC)	116.6980	0.000	1	116.6980	0.000	1	116.2854	6.656	5	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C-3:N-3:S-2:	N-3:	N(CH3)(CCS)(H)	C(CHN)(NCH)(SC)	H(NCC)	N(CH3)(CCS)(H)	C(CHN)(NCH)(SC)	H(NCC)	114.4040	0.000	1	114.4040	0.000	1	116.2854	6.656	5	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[5]-3:N-3:O-2:	N-3:	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]2)(NCH)(OH)	H(NCC)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]2)(NCH)(OH)	H(NCC)	117.7830	0.000	1	117.7830	0.000	1	118.4168	0.563	5	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[5]-3:N-3:O-2:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2)(NCH)(ORu)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2)(NCH)(ORu)	H(NCC)	118.5752	0.764	4	118.5752	0.583	4	118.4168	0.563	5	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:N-2:	N-3:	N(CC[6a]HH)(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NCH)(NN)	H(NCC)	N(CC[6a]HH)(CC[5a]N)(H)	C(C[5a]C[5a]N[5a])(NCH)(NN)	H(NCC)	117.4560	0.000	1	117.4560	0.000	1	117.4560	0.000	1	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:S-2:	N-3:	N(CC[6a]HH)(CC[5a]S)(H)	C(C[5a]C[5a]N[5a])(NCH)(SNi)	H(NCC)	N(CC[6a]HH)(CC[5a]S)(H)	C(C[5a]C[5a]N[5a])(NCH)(SNi)	H(NCC)	119.7945	0.780	2	119.7945	0.608	2	120.9237	4.129	3	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[5a]-3:N-3:S-2:	N-3:	N(CC[6a]HH)(CC[5a]S)(H)	C(C[5a]C[5a]N[5a])(NCH)(SPd)	H(NCC)	N(CC[6a]HH)(CC[5a]S)(H)	C(C[5a]C[5a]N[5a])(NCH)(SPd)	H(NCC)	123.1820	0.000	1	123.1820	0.000	1	120.9237	4.129	3	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]HH)(CC[6]O)(H)	C(C[6]C[6]N[6])(NCH)(OCu)	H(NCC)	N(CC[6]HH)(CC[6]O)(H)	C(C[6]C[6]N[6])(NCH)(OCu)	H(NCC)	117.7290	0.000	2	117.7290	0.000	2	118.3387	1.115	3	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6]-3:N-3:O-2:	N-3:	N(CC[6]HH)(CC[6]O)(H)	C(C[6]C[6]N[6])(NCH)(OMn)	H(NCC)	N(CC[6]HH)(CC[6]O)(H)	C(C[6]C[6]N[6])(NCH)(OMn)	H(NCC)	119.5580	0.000	1	119.5580	0.000	1	118.3387	1.115	3	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6]-3:N-3:S-2:	N-3:	N(CC[6a]HH)(CC[6]S)(H)	C(C[6]C[6]N[6])(NCH)(SRu)	H(NCC)	N(CC[6a]HH)(CC[6]S)(H)	C(C[6]C[6]N[6])(NCH)(SRu)	H(NCC)	117.7515	0.240	2	117.7515	0.057	2	117.7515	0.057	2	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NCH)(NC)	H(NCC)	N(CC[6a]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NCH)(NC)	H(NCC)	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OCu)	H(NCC)	N(CC[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OCu)	H(NCC)	118.9647	0.191	4	118.9647	0.037	4	118.4351	2.035	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OEu)	H(NCC)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OEu)	H(NCC)	117.5945	0.243	2	117.5945	0.059	2	118.4351	2.035	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OGd)	H(NCC)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OGd)	H(NCC)	117.4760	0.410	2	117.4760	0.168	2	118.4351	2.035	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OTb)	H(NCC)	N(CC[5a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OTb)	H(NCC)	117.7000	0.044	2	117.7000	0.002	2	118.4351	2.035	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OFe)	H(NCC)	N(CC[6]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OFe)	H(NCC)	116.0170	0.478	2	116.0170	0.228	2	118.4351	2.035	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OCd)	H(NCC)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OCd)	H(NCC)	120.5780	0.000	1	120.5780	0.000	1	118.4351	2.035	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OZn)	H(NCC)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OZn)	H(NCC)	118.9950	0.000	1	118.9950	0.000	1	118.4351	2.035	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(OCd)	H(NCC)	N(CC[6]HH)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(NCH)(OCd)	H(NCC)	118.7630	0.487	3	118.7630	0.238	3	118.4351	2.035	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OFe)	H(NCC)	N(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OFe)	H(NCC)	122.0350	0.000	1	122.0350	0.000	1	118.4351	2.035	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-2:	N-3:	N(CN[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OCu)	H(NCC)	N(CN[5]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(OCu)	H(NCC)	118.9350	0.000	1	118.9350	0.000	1	118.4351	2.035	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:S-2:	N-3:	N(CC[6a]HH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(SPd)	H(NCC)	N(CC[6a]HH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(SPd)	H(NCC)	115.1700	0.000	1	115.1700	0.000	1	117.5343	28.198	3	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:S-2:	N-3:	N(CC[6a]HH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(SRu)	H(NCC)	N(CC[6a]HH)(CC[6a]S)(H)	C(C[6a]C[6a]2)(NCH)(SRu)	H(NCC)	118.7165	6.929	2	118.7165	48.010	2	117.5343	28.198	3	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:C-2:	N-3:	N(CCCH)(CCN)(H)	C(NFeC)(NCH)(CC)	H(NCC)	N(CCCH)(CCN)(H)	C(NFeC)(NCH)(CC)	H(NCC)	115.4730	0.000	1	115.4730	0.000	1	115.5380	0.008	2	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:C-2:	N-3:	N(CCCH)(CCN)(H)	C(NMnC)(NCH)(CC)	H(NCC)	N(CCCH)(CCN)(H)	C(NMnC)(NCH)(CC)	H(NCC)	115.6030	0.000	1	115.6030	0.000	1	115.5380	0.008	2	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CC3)(CNN)(H)	C(NCC)(NCH)(NS)	H(NCC)	N(CC3)(CNN)(H)	C(NCC)(NCH)(NS)	H(NCC)	115.8775	1.815	2	115.8775	3.295	2	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CC3)(CNN)(H)	C(NCH)2(NN)	H(NCC)	N(CC3)(CNN)(H)	C(NCH)2(NN)	H(NCC)	115.3780	0.000	1	115.3780	0.000	1	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CC3)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	H(NCC)	N(CC3)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	H(NCC)	116.8085	0.982	2	116.8085	0.965	2	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CCCH)(CNN)(H)	C(NCC)(NCH)(NS)	H(NCC)	N(CCCH)(CNN)(H)	C(NCC)(NCH)(NS)	H(NCC)	118.5410	0.000	1	118.5410	0.000	1	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CCCH)(CNN)(H)	C(NCH)2(NC)	H(NCC)	N(CCCH)(CNN)(H)	C(NCH)2(NC)	H(NCC)	118.0117	1.743	3	118.0117	3.037	3	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CCCH)(CNN)(H)	C(NCH)2(NN)	H(NCC)	N(CCCH)(CNN)(H)	C(NCH)2(NN)	H(NCC)	116.9735	0.823	4	116.9735	0.677	4	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CCCH)(CNN)(H)	C(NC[6a]N)(NCH)(NC)	H(NCC)	N(CCCH)(CNN)(H)	C(NC[6a]N)(NCH)(NC)	H(NCC)	116.9320	0.000	1	116.9320	0.000	1	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CCHH)(CNN)(H)	C(NCH)(NHH)(NC)	H(NCC)	N(CCHH)(CNN)(H)	C(NCH)(NHH)(NC)	H(NCC)	115.5840	0.000	1	115.5840	0.000	1	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CCHH)(CNN)(H)	C(NCH)(NHH)(NH)	H(NCC)	N(CCHH)(CNN)(H)	C(NCH)(NHH)(NH)	H(NCC)	114.0750	0.000	1	114.0750	0.000	1	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CCHH)(CNN)(H)	C(NCH)(NHH)(NN)	H(NCC)	N(CCHH)(CNN)(H)	C(NCH)(NHH)(NN)	H(NCC)	114.4693	5.657	3	114.4693	32.003	3	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CCHH)(CNN)(H)	C(NCH)2(NN)	H(NCC)	N(CCHH)(CNN)(H)	C(NCH)2(NN)	H(NCC)	115.9252	0.582	5	115.9252	0.338	5	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CCHH)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	H(NCC)	N(CCHH)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	H(NCC)	118.0855	0.107	2	118.0855	0.011	2	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CC[6a]HH)(CNN)(H)	C(NCH)2(NC)	H(NCC)	N(CC[6a]HH)(CNN)(H)	C(NCH)2(NC)	H(NCC)	118.3520	0.000	1	118.3520	0.000	1	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CC[6a]HH)(CNN)(H)	C(NC[6a]Cu)(NCH)(NC)	H(NCC)	N(CC[6a]HH)(CNN)(H)	C(NC[6a]Cu)(NCH)(NC)	H(NCC)	117.6810	0.000	1	117.6810	0.000	1	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CC[6a]HH)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	H(NCC)	N(CC[6a]HH)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	H(NCC)	119.2655	1.285	4	119.2655	1.652	4	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CH3)(CNN)(H)	C(NCH)2(NC)	H(NCC)	N(CH3)(CNN)(H)	C(NCH)2(NC)	H(NCC)	116.8535	2.205	2	116.8535	4.864	2	116.8770	4.803	34	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(CC3)(CNO)(H)	C(NCH)2(OZn)	H(NCC)	N(CC3)(CNO)(H)	C(NCH)2(OZn)	H(NCC)	116.7950	0.000	1	116.7950	0.000	1	118.5358	7.848	6	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(CC3)(CNO)(H)	C(NCuC)(NCH)(OCu)	H(NCC)	N(CC3)(CNO)(H)	C(NCuC)(NCH)(OCu)	H(NCC)	121.5135	3.044	2	121.5135	9.267	2	118.5358	7.848	6	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(CCHH)(CNO)(H)	C(NCH)2(OZn)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)2(OZn)	H(NCC)	118.3020	0.000	1	118.3020	0.000	1	118.5358	7.848	6	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:O-2:	N-3:	N(CH3)(CNO)(H)	C(NCH)2(OW)	H(NCC)	N(CH3)(CNO)(H)	C(NCH)2(OW)	H(NCC)	116.5455	1.109	2	116.5455	1.231	2	118.5358	7.848	6	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC3)(CNS)(H)	C(NCH)(NCN)(SPd)	H(NCC)	N(CC3)(CNS)(H)	C(NCH)(NCN)(SPd)	H(NCC)	115.5810	0.000	1	115.5810	0.000	1	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCCH)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCC)	N(CCCH)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCC)	117.2375	1.705	4	117.2375	2.908	4	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCCH)(CNS)(H)	C(NCH)2(SC)	H(NCC)	N(CCCH)(CNS)(H)	C(NCH)2(SC)	H(NCC)	117.4875	0.326	4	117.4875	0.106	4	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCCH)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	N(CCCH)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	117.4380	0.156	2	117.4380	0.024	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NHH)(SAg)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NHH)(SAg)	H(NCC)	117.5750	0.539	3	117.5750	0.291	3	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NHH)(SZn)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NHH)(SZn)	H(NCC)	117.0330	0.454	2	117.0330	0.206	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SAg)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SAg)	H(NCC)	119.3375	2.642	4	119.3375	6.978	4	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SCu)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SCu)	H(NCC)	116.4940	0.000	1	116.4940	0.000	1	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCC)	116.3800	4.249	6	116.3800	18.054	6	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SRe)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SRe)	H(NCC)	118.2420	0.000	1	118.2420	0.000	1	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SRu)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SRu)	H(NCC)	117.7947	0.608	3	117.7947	0.369	3	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCC)	114.7760	0.000	1	114.7760	0.000	1	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)2(SAg)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)2(SAg)	H(NCC)	117.3220	0.344	15	117.3220	0.119	15	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)2(SC)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)2(SC)	H(NCC)	116.9670	0.123	2	116.9670	0.015	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)2(SCo)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)2(SCo)	H(NCC)	117.5359	0.316	7	117.5359	0.100	7	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)2(SCu)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)2(SCu)	H(NCC)	118.4647	2.493	6	118.4647	6.217	6	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)2(SPt)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)2(SPt)	H(NCC)	117.4150	0.611	4	117.4150	0.374	4	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)2(SRe)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)2(SRe)	H(NCC)	116.5240	0.280	2	116.5240	0.078	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)2(SRh)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)2(SRh)	H(NCC)	117.6855	0.433	2	117.6855	0.188	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[5a]HH)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	N(CC[5a]HH)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	117.4390	0.206	3	117.4390	0.042	3	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6]HH)(CNS)(H)	C(NCH)2(SC)	H(NCC)	N(CC[6]HH)(CNS)(H)	C(NCH)2(SC)	H(NCC)	116.4210	0.816	2	116.4210	0.666	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6a]CH)(CNS)(H)	C(NCH)2(SC)	H(NCC)	N(CC[6a]CH)(CNS)(H)	C(NCH)2(SC)	H(NCC)	118.8692	1.678	4	118.8692	2.815	4	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6a]CH)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	N(CC[6a]CH)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	114.7007	2.037	4	114.7007	4.150	4	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CC[6a]HH)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	N(CC[6a]HH)(CNS)(H)	C(NCH)2(SRu)	H(NCC)	117.8615	0.521	2	117.8615	0.272	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCC)(NCH)(SPt)	H(NCC)	N(CH3)(CNS)(H)	C(NCC)(NCH)(SPt)	H(NCC)	113.3293	3.954	6	113.3293	15.634	6	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHH)(SCu)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHH)(SCu)	H(NCC)	116.4620	0.000	1	116.4620	0.000	1	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHH)(SPt)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHH)(SPt)	H(NCC)	117.9813	0.311	6	117.9813	0.097	6	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHH)(SS)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHH)(SS)	H(NCC)	117.9900	0.000	1	117.9900	0.000	1	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHN)(SCd)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SCd)	H(NCC)	116.3460	0.000	1	116.3460	0.000	1	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHN)(SCu)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SCu)	H(NCC)	117.2872	0.624	5	117.2872	0.389	5	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHN)(SFe)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SFe)	H(NCC)	118.3050	0.000	1	118.3050	0.000	1	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHN)(SIr)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SIr)	H(NCC)	117.1060	0.000	1	117.1060	0.000	1	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCC)	118.1652	1.987	6	118.1652	3.948	6	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHN)(SPd)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SPd)	H(NCC)	117.8900	0.000	1	117.8900	0.000	1	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHN)(SRe)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SRe)	H(NCC)	118.2490	0.000	1	118.2490	0.000	1	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHN)(SRu)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SRu)	H(NCC)	118.2235	0.173	2	118.2235	0.030	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCC)	116.1235	1.979	2	116.1235	3.917	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)2(SAg)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)2(SAg)	H(NCC)	117.9715	0.064	2	117.9715	0.004	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)2(SCo)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)2(SCo)	H(NCC)	116.7315	1.580	4	116.7315	2.497	4	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)2(SCu)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)2(SCu)	H(NCC)	117.1702	2.479	4	117.1702	6.145	4	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)2(SHg)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)2(SHg)	H(NCC)	117.3845	0.244	2	117.3845	0.060	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)2(SI)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)2(SI)	H(NCC)	117.6150	0.928	2	117.6150	0.861	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)2(SNi)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)2(SNi)	H(NCC)	116.3065	3.669	2	116.3065	13.463	2	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)2(SPt)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)2(SPt)	H(NCC)	118.0265	0.427	8	118.0265	0.182	8	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CH3)(CNS)(H)	C(NCH)2(SZn)	H(NCC)	N(CH3)(CNS)(H)	C(NCH)2(SZn)	H(NCC)	118.2578	2.678	14	118.2578	7.170	14	117.3474	4.053	157	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	P-3:N-3:N-2:	N-3:	N(CCCH)(CNP)(H)	C(PC[6]2)(NCH)(NC)	H(NCC)	N(CCCH)(CNP)(H)	C(PC[6]2)(NCH)(NC)	H(NCC)	119.7890	0.000	1	119.7890	0.000	1	116.9780	9.215	3	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	P-3:N-3:N-2:	N-3:	N(CCCH)(CNP)(H)	C(PC[6a]C)(NCH)(NC)	H(NCC)	N(CCCH)(CNP)(H)	C(PC[6a]C)(NCH)(NC)	H(NCC)	115.5725	2.565	2	115.5725	6.578	2	116.9780	9.215	3	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	S-3:N-3:N-2:	N-3:	N(CCCH)(CNS)(H)	C(SZn2)(NCH)(NN)	H(NCC)	N(CCCH)(CNS)(H)	C(SZn2)(NCH)(NN)	H(NCC)	115.0150	0.000	1	115.0150	0.000	1	118.3117	2.266	10	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	S-3:N-3:N-2:	N-3:	N(CCHH)(CNS)(H)	C(SPd2)(NCH)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(SPd2)(NCH)(NN)	H(NCC)	118.9280	0.000	1	118.9280	0.000	1	118.3117	2.266	10	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	S-3:N-3:N-2:	N-3:	N(CCHH)(CNS)(H)	C(SRe2)(NCH)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(SRe2)(NCH)(NN)	H(NCC)	118.8612	0.661	4	118.8612	0.437	4	118.3117	2.266	10	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	S-3:N-3:N-2:	N-3:	N(CH3)(CNS)(H)	C(SPd2)(NCH)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(SPd2)(NCH)(NN)	H(NCC)	118.9420	0.472	2	118.9420	0.223	2	118.3117	2.266	10	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	S-3:N-3:N-2:	N-3:	N(CH3)(CNS)(H)	C(SRe2)(NCH)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(SRe2)(NCH)(NN)	H(NCC)	119.5510	0.000	1	119.5510	0.000	1	118.3117	2.266	10	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	S-3:N-3:N-2:	N-3:	N(CH3)(CNS)(H)	C(SZn2)(NCH)(NN)	H(NCC)	N(CH3)(CNS)(H)	C(SZn2)(NCH)(NN)	H(NCC)	116.2940	0.000	1	116.2940	0.000	1	118.3117	2.266	10	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[3x6]-4:C-3:H-1:	C[6]-3:N-3:O-2:	N-3:	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C(C[6]C[6,6a]C[6])(NC[3x6]H)(OMg)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C(C[6]C[6,6a]C[6])(NC[3x6]H)(OMg)	H(NC[3x6]C)	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[3x6]-4:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[3x6]C[6,6]3)(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	H(NC[3x6]C)	114.5840	0.000	1	114.5840	0.000	1	114.5840	0.000	1	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[5]-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[5]C[5]2Fe)(CNN)(H)	C(NC[6a]H)(NC[5]H)(NC[6a])	H(NC[5]C)	N(C[5]C[5]2Fe)(CNN)(H)	C(NC[6a]H)(NC[5]H)(NC[6a])	H(NC[5]C)	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[5]-4:C-3:H-1:	P-3:N-3:N-2:	N-3:	N(C[5]C[5]2H)(CNP)(H)	C(PC[6a]2)(NC[5]H)(NC[6a])	H(NC[5]C)	N(C[5]C[5]2H)(CNP)(H)	C(PC[6a]2)(NC[5]H)(NC[6a])	H(NC[5]C)	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	C[5]-3:N-3:O-2:	N-3:	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5,6a]N[5])(NC[6]H)(OCo)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5,6a]N[5])(NC[6]H)(OCo)	H(NC[6]C)	119.0590	0.000	1	119.0590	0.000	1	117.0367	18.461	3	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	C[5]-3:N-3:O-2:	N-3:	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]N[5]O[5])(NC[6]H)(OPd)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]N[5]O[5])(NC[6]H)(OPd)	H(NC[6]C)	116.0255	5.549	2	116.0255	30.788	2	117.0367	18.461	3	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6]H)(NH)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6]H)(NH)	H(NC[6]C)	119.1723	3.777	3	119.1723	14.265	3	119.1723	14.265	3	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N-3:C-3:C-2:	N-3:	N(C[6]C[6]2C)(CCC)(H)	C(NC[6]H)(CCN)(CN)	H(NC[6]C)	N(C[6]C[6]2C)(CCC)(H)	C(NC[6]H)(CCN)(CN)	H(NC[6]C)	118.8160	0.000	1	118.8160	0.000	1	119.7000	1.563	2	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N-3:C-3:C-2:	N-3:	N(C[6]C[6]3)(CCC)(H)	C(NC[6]H)(CCN)(CN)	H(NC[6]C)	N(C[6]C[6]3)(CCC)(H)	C(NC[6]H)(CCN)(CN)	H(NC[6]C)	120.5840	0.000	1	120.5840	0.000	1	119.7000	1.563	2	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N-3:C-3:O-2:	N-3:	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCH)(OH)	H(NC[6]C)	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCH)(OH)	H(NC[6]C)	117.7920	0.718	2	117.7920	0.516	2	117.7920	0.516	2	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N-3:N-3:C-2:	N-3:	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]Co)(NC[6]H)(CC)	H(NC[6]C)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]Co)(NC[6]H)(CC)	H(NC[6]C)	117.4085	0.617	2	117.4085	0.381	2	117.4665	0.150	4	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N-3:N-3:C-2:	N-3:	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]Fe)(NC[6]H)(CC)	H(NC[6]C)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]Fe)(NC[6]H)(CC)	H(NC[6]C)	117.5245	0.238	2	117.5245	0.057	2	117.4665	0.150	4	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]C)(NC[6]H)(NS)	H(NC[6]C)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]C)(NC[6]H)(NS)	H(NC[6]C)	118.1516	0.698	5	118.1516	0.487	5	116.3977	16.796	9	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)2(NC[6a])	H(NC[6]C)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)2(NC[6a])	H(NC[6]C)	118.4670	1.127	2	118.4670	1.270	2	116.3977	16.796	9	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)2(NN)	H(NC[6]C)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)2(NN)	H(NC[6]C)	109.9435	4.888	2	109.9435	23.895	2	116.3977	16.796	9	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)2(STe)	H(NC[6]C)	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)2(STe)	H(NC[6]C)	116.6765	0.460	6	116.6765	0.212	6	116.6765	0.212	6	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N[5]-3:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CN[5]N)(H)	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	H(NC[6]C)	N(C[6]C[6]2H)(CN[5]N)(H)	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	H(NC[6]C)	120.3570	0.000	1	120.3570	0.000	1	120.3570	0.000	1	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CN[5a]N)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6]H)(NC[6])	H(NC[6]C)	N(C[6]C[6]2H)(CN[5a]N)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6]H)(NC[6])	H(NC[6]C)	118.7400	0.390	2	118.7400	0.152	2	119.0182	0.086	8	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CN[5a]N)(H)	C(N[5a]C[5a]2)(NC[6]H)(NC[6])	H(NC[6]C)	N(C[6]C[6]2H)(CN[5a]N)(H)	C(N[5a]C[5a]2)(NC[6]H)(NC[6])	H(NC[6]C)	119.1110	0.222	6	119.1110	0.049	6	119.0182	0.086	8	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N[6]-3:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	H(NC[6]C)	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	H(NC[6]C)	117.5375	0.213	4	117.5375	0.045	4	117.5375	0.045	4	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(NH3)(CNN)(H)	C(NHH)(NHN)(NN)	H(NCN)	N(NH3)(CNN)(H)	C(NHH)(NHN)(NN)	H(NCN)	119.9810	0.549	2	119.9810	0.301	2	119.8438	0.363	4	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(NNiHH)(CNN)(H)	C(NNiN)(NHN)(NH)	H(NCN)	N(NNiHH)(CNN)(H)	C(NNiN)(NHN)(NH)	H(NCN)	119.1100	0.000	1	119.1100	0.000	1	119.8438	0.363	4	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(NZnHH)(CNN)(H)	C(NZnN)(NHN)(NH)	H(NCN)	N(NZnHH)(CNN)(H)	C(NZnN)(NHN)(NH)	H(NCN)	120.3030	0.000	1	120.3030	0.000	1	119.8438	0.363	4	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NFeHH)(CNS)(H)	C(NHN)2(SFe)	H(NCN)	N(NFeHH)(CNS)(H)	C(NHN)2(SFe)	H(NCN)	121.1750	0.000	1	121.1750	0.000	1	120.8666	4.088	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NIrHH)(CNS)(H)	C(NCH)(NHN)(SIr)	H(NCN)	N(NIrHH)(CNS)(H)	C(NCH)(NHN)(SIr)	H(NCN)	118.7210	0.000	1	118.7210	0.000	1	120.8666	4.088	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NNiCC)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCN)	N(NNiCC)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCN)	119.2970	0.000	1	119.2970	0.000	1	120.8666	4.088	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NNiHH)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCN)	N(NNiHH)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCN)	121.5373	2.697	4	121.5373	7.275	4	120.8666	4.088	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NNiHH)(CNS)(H)	C(NHH)(NHN)(SNi)	H(NCN)	N(NNiHH)(CNS)(H)	C(NHH)(NHN)(SNi)	H(NCN)	121.4142	2.674	6	121.4142	7.149	6	120.8666	4.088	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NPdHH)(CNS)(H)	C(NHH)(NHN)(SPd)	H(NCN)	N(NPdHH)(CNS)(H)	C(NHH)(NHN)(SPd)	H(NCN)	119.6565	0.086	2	119.6565	0.007	2	120.8666	4.088	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NZnHH)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCN)	N(NZnHH)(CNS)(H)	C(NCH)(NHN)(SZn)	H(NCN)	119.6060	0.000	1	119.6060	0.000	1	120.8666	4.088	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NZnHH)(CNS)(H)	C(NHH)(NHN)(SZn)	H(NCN)	N(NZnHH)(CNS)(H)	C(NHH)(NHN)(SZn)	H(NCN)	121.6950	0.000	1	121.6950	0.000	1	120.8666	4.088	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NZnHH)(CNS)(H)	C(NZnH)(NHN)(SC)	H(NCN)	N(NZnHH)(CNS)(H)	C(NZnH)(NHN)(SC)	H(NCN)	121.0125	0.011	2	121.0125	0.000	2	120.8666	4.088	19	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	S-4:C-3:H-1:	C-3:N-3:S-2:	N-3:	N(SC[6a]OO)(CCS)(H)	C(CCC)(NHS)(SC)	H(NCS)	N(SC[6a]OO)(CCS)(H)	C(CCC)(NHS)(SC)	H(NCS)	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	117.6183	5.624	339	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC3)(CCC)(H)	C(CCH)(CCN)(NCH)	H(NCC)	N(CC3)(CCC)(H)	C(CCH)(CCN)(NCH)	H(NCC)	113.3850	1.540	3	113.3850	2.372	3	115.6767	4.122	18	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC3)(CCC)(H)	C(CCH)(CCO)(NCH)	H(NCC)	N(CC3)(CCC)(H)	C(CCH)(CCO)(NCH)	H(NCC)	114.0030	0.000	1	114.0030	0.000	1	115.6767	4.122	18	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC3)(CCC)(H)	C(CC[6a]H)(COO)(NCH)	H(NCC)	N(CC3)(CCC)(H)	C(CC[6a]H)(COO)(NCH)	H(NCC)	112.5980	0.000	1	112.5980	0.000	1	115.6767	4.122	18	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCCH)(CCC)(H)	C(CCH)(CCO)(NCH)	H(NCC)	N(CCCH)(CCC)(H)	C(CCH)(CCO)(NCH)	H(NCC)	116.5633	0.385	3	116.5633	0.148	3	115.6767	4.122	18	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCHH)(CCC)(H)	C(CCC)(COO)(NCH)	H(NCC)	N(CCHH)(CCC)(H)	C(CCC)(COO)(NCH)	H(NCC)	115.6200	0.000	1	115.6200	0.000	1	115.6767	4.122	18	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CCHH)(CCC)(H)	C(CCH)(CCO)(NCH)	H(NCC)	N(CCHH)(CCC)(H)	C(CCH)(CCO)(NCH)	H(NCC)	117.1235	0.288	4	117.1235	0.083	4	115.6767	4.122	18	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]CH)(CCC)(H)	C(CCH)(COO)(NCH)	H(NCC)	N(CC[6a]CH)(CCC)(H)	C(CCH)(COO)(NCH)	H(NCC)	117.4840	0.000	1	117.4840	0.000	1	115.6767	4.122	18	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]HH)(CCC)(H)	C(CCF)(CHS)(NCH)	H(NCC)	N(CC[6a]HH)(CCC)(H)	C(CCF)(CHS)(NCH)	H(NCC)	120.1030	0.000	1	120.1030	0.000	1	115.6767	4.122	18	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CH3)(CCC)(H)	C(CCH)(CCO)(NCH)	H(NCC)	N(CH3)(CCC)(H)	C(CCH)(CCO)(NCH)	H(NCC)	114.6780	0.283	3	114.6780	0.080	3	115.6767	4.122	18	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CCCH)(CCN)(H)	C(CCC)(NCH)2	H(NCC)	N(CCCH)(CCN)(H)	C(CCC)(NCH)2	H(NCC)	117.3545	3.242	2	117.3545	10.511	2	118.5281	3.200	16	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CCCH)(CCN)(H)	C(CC[6a]C)(NCH)2	H(NCC)	N(CCCH)(CCN)(H)	C(CC[6a]C)(NCH)2	H(NCC)	119.0385	1.044	2	119.0385	1.091	2	118.5281	3.200	16	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CCCH)(CCN)(H)	C(CN[5a]N[5])(NAlC)(NCH)	H(NCC)	N(CCCH)(CCN)(H)	C(CN[5a]N[5])(NAlC)(NCH)	H(NCC)	120.8395	0.323	2	120.8395	0.104	2	118.5281	3.200	16	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CCHH)(CCN)(H)	C(CCH)(NCH)2	H(NCC)	N(CCHH)(CCN)(H)	C(CCH)(NCH)2	H(NCC)	117.7353	0.153	4	117.7353	0.023	4	118.5281	3.200	16	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CCHH)(CCN)(H)	C(CC[6a]C)(NC[6a]H)(NCH)	H(NCC)	N(CCHH)(CCN)(H)	C(CC[6a]C)(NC[6a]H)(NCH)	H(NCC)	118.8980	0.000	1	118.8980	0.000	1	118.5281	3.200	16	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CCHH)(CCN)(H)	C(CHN)(NCH)2	H(NCC)	N(CCHH)(CCN)(H)	C(CHN)(NCH)2	H(NCC)	116.2570	0.000	1	116.2570	0.000	1	118.5281	3.200	16	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CH3)(CCN)(H)	C(CCN)(NCH)2	H(NCC)	N(CH3)(CCN)(H)	C(CCN)(NCH)2	H(NCC)	120.6285	1.162	2	120.6285	1.350	2	118.5281	3.200	16	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CH3)(CCN)(H)	C(CHN)(NCC)(NCH)	H(NCC)	N(CH3)(CCN)(H)	C(CHN)(NCC)(NCH)	H(NCC)	116.4980	0.000	1	116.4980	0.000	1	118.5281	3.200	16	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:N-3:N-3:	N-3:	N(CH3)(CCN)(H)	C(CHN)(NCH)2	H(NCC)	N(CH3)(CCN)(H)	C(CHN)(NCH)2	H(NCC)	118.1340	0.000	1	118.1340	0.000	1	118.5281	3.200	16	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	H(NCC)	116.7670	1.117	2	116.7670	1.248	2	115.1377	4.041	6	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(NCC)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(NCC)	113.3913	0.537	3	113.3913	0.288	3	115.1377	4.041	6	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCS)(NCH)	H(NCC)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCS)(NCH)	H(NCC)	117.1180	0.000	1	117.1180	0.000	1	115.1377	4.041	6	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]CH)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NCH)2	H(NCC)	N(CC[6a]CH)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NCH)2	H(NCC)	116.0678	3.047	4	116.0678	9.283	4	116.0678	9.283	4	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:C-3:N-3:	N-3:	N(CC3)(CCN)(H)	C(NC[6a]H)(CNN)(NCH)	H(NCC)	N(CC3)(CCN)(H)	C(NC[6a]H)(CNN)(NCH)	H(NCC)	114.9400	3.511	2	114.9400	12.331	2	116.7906	3.642	17	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:C-3:N-3:	N-3:	N(CCHH)(CCN)(H)	C(NNiO)(CNN)(NCH)	H(NCC)	N(CCHH)(CCN)(H)	C(NNiO)(CNN)(NCH)	H(NCC)	116.7120	0.770	6	116.7120	0.593	6	116.7906	3.642	17	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:C-3:N-3:	N-3:	N(CCHH)(CCN)(H)	C(NPdO)(CNN)(NCH)	H(NCC)	N(CCHH)(CCN)(H)	C(NPdO)(CNN)(NCH)	H(NCC)	117.2542	2.066	9	117.2542	4.270	9	116.7906	3.642	17	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NCC)2(NCH)	H(NCC)	N(CCCH)(CNN)(H)	C(NCC)2(NCH)	H(NCC)	118.6205	1.630	2	118.6205	2.657	2	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	115.9290	1.247	2	115.9290	1.556	2	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NCH)2(NHH)	H(NCC)	N(CCCH)(CNN)(H)	C(NCH)2(NHH)	H(NCC)	116.9120	0.000	1	116.9120	0.000	1	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NCH)3	H(NCC)	N(CCCH)(CNN)(H)	C(NCH)3	H(NCC)	116.5739	0.937	7	116.5739	0.878	7	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[5]Pd)(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NC[5]Pd)(NCH)2	H(NCC)	113.9745	3.715	4	113.9745	13.804	4	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[6a]B)(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NC[6a]B)(NCH)2	H(NCC)	117.1345	0.285	2	117.1345	0.081	2	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[6a]H)(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NC[6a]H)(NCH)2	H(NCC)	116.0144	1.735	26	116.0144	3.011	26	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[6a]N)(NLiC)(NCH)	H(NCC)	N(CCCH)(CNN)(H)	C(NC[6a]N)(NLiC)(NCH)	H(NCC)	117.8110	0.000	1	117.8110	0.000	1	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[6a]Pd)(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NC[6a]Pd)(NCH)2	H(NCC)	115.4835	2.343	6	115.4835	5.492	6	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[6a]Pt)(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NC[6a]Pt)(NCH)2	H(NCC)	116.5165	0.694	2	116.5165	0.481	2	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NCoC)(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NCoC)(NCH)2	H(NCC)	123.4660	0.000	1	123.4660	0.000	1	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NCuC)2(NCH)	H(NCC)	N(CCCH)(CNN)(H)	C(NCuC)2(NCH)	H(NCC)	120.1150	0.000	1	120.1150	0.000	1	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NFeC)2(NCH)	H(NCC)	N(CCCH)(CNN)(H)	C(NFeC)2(NCH)	H(NCC)	116.9075	0.965	2	116.9075	0.932	2	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCHH)(CNN)(H)	C(NCC)2(NCH)	H(NCC)	N(CCHH)(CNN)(H)	C(NCC)2(NCH)	H(NCC)	117.1647	1.553	14	117.1647	2.413	14	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCHH)(CNN)(H)	C(NCH)(NHH)(NHN)	H(NCC)	N(CCHH)(CNN)(H)	C(NCH)(NHH)(NHN)	H(NCC)	116.3160	0.626	2	116.3160	0.392	2	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCHH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	N(CCHH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	117.4026	1.664	57	117.4026	2.769	57	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCHH)(CNN)(H)	C(NCH)2(NHH)	H(NCC)	N(CCHH)(CNN)(H)	C(NCH)2(NHH)	H(NCC)	116.7495	1.422	4	116.7495	2.021	4	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCHH)(CNN)(H)	C(NCuH)(NCH)2	H(NCC)	N(CCHH)(CNN)(H)	C(NCuH)(NCH)2	H(NCC)	112.6400	1.855	4	112.6400	3.443	4	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCHH)(CNN)(H)	C(NZnH)(NCH)(NHH)	H(NCC)	N(CCHH)(CNN)(H)	C(NZnH)(NCH)(NHH)	H(NCC)	117.9860	0.000	1	117.9860	0.000	1	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	115.7680	0.000	1	115.7680	0.000	1	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	C(NCH)2(NHH)	H(NCC)	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	C(NCH)2(NHH)	H(NCC)	117.9870	0.000	1	117.9870	0.000	1	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[5x3,5x5,20x6]HH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	N(CC[5x3,5x5,20x6]HH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	117.3850	0.000	1	117.3850	0.000	1	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[6]HH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	N(CC[6]HH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	117.9905	0.063	2	117.9905	0.004	2	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[6a]2C[5])(CNN)(H)	C(NCH)3	H(NCC)	N(CC[6a]2C[5])(CNN)(H)	C(NCH)3	H(NCC)	115.9720	0.615	2	115.9720	0.378	2	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[6a]HH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	N(CC[6a]HH)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	118.2300	1.263	3	118.2300	1.595	3	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CC[6a]HH)(CNN)(H)	C(NCH)2(NHH)	H(NCC)	N(CC[6a]HH)(CNN)(H)	C(NCH)2(NHH)	H(NCC)	116.8857	4.641	3	116.8857	21.539	3	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CH3)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	N(CH3)(CNN)(H)	C(NCH)(NHH)2	H(NCC)	117.5776	0.409	5	117.5776	0.167	5	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CH3)(CNN)(H)	C(NCH)3	H(NCC)	N(CH3)(CNN)(H)	C(NCH)3	H(NCC)	116.5710	0.000	1	116.5710	0.000	1	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CH3)(CNN)(H)	C(NCuH)(NCH)2	H(NCC)	N(CH3)(CNN)(H)	C(NCuH)(NCH)2	H(NCC)	118.0173	0.287	4	118.0173	0.082	4	116.8585	4.006	162	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	S-3:N-3:N-3:	N-3:	N(CCHH)(CNS)(H)	C(SCu2)(NCH)(NHH)	H(NCC)	N(CCHH)(CNS)(H)	C(SCu2)(NCH)(NHH)	H(NCC)	113.5790	0.000	1	113.5790	0.000	1	117.1578	4.300	5	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	S-3:N-3:N-3:	N-3:	N(CCHH)(CNS)(H)	C(SRu2)(NCH)(NHN)	H(NCC)	N(CCHH)(CNS)(H)	C(SRu2)(NCH)(NHN)	H(NCC)	118.1100	1.022	2	118.1100	1.045	2	117.1578	4.300	5	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	S-3:N-3:N-3:	N-3:	N(CH3)(CNS)(H)	C(SAg2)(NCH)(NHN)	H(NCC)	N(CH3)(CNS)(H)	C(SAg2)(NCH)(NHN)	H(NCC)	117.7390	0.000	1	117.7390	0.000	1	117.1578	4.300	5	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	S-3:N-3:N-3:	N-3:	N(CH3)(CNS)(H)	C(SRu2)(NCH)(NHN)	H(NCC)	N(CH3)(CNS)(H)	C(SRu2)(NCH)(NHN)	H(NCC)	118.2510	0.000	1	118.2510	0.000	1	117.1578	4.300	5	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[3]-4:C-3:H-1:	C[6a]-3:C[5]-3:N-3:	N-3:	N(C[3]C[3]2H)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[3]H)	H(NC[3]C)	N(C[3]C[3]2H)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[3]H)	H(NC[3]C)	113.9110	0.000	1	113.9110	0.000	1	113.9110	0.000	1	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	N-3:C-3:C-3:	N-3:	N(C[5]C[5]2Fe)(CCC)(H)	C(NC[5]H)(CCH)(CCO)	H(NC[5]C)	N(C[5]C[5]2Fe)(CCC)(H)	C(NC[5]H)(CCH)(CCO)	H(NC[5]C)	116.4440	0.000	1	116.4440	0.000	1	116.4440	0.000	1	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[5]C[5,5]C[5]H)(CNN)(H)	C(NC[5]H)(NHH)2	H(NC[5]C)	N(C[5]C[5,5]C[5]H)(CNN)(H)	C(NC[5]H)(NHH)2	H(NC[5]C)	118.0680	0.000	1	118.0680	0.000	1	120.1755	8.883	2	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[5]-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[5]N[5]2H)(CNN)(H)	C(NC[5]H)(NCC)2	H(NC[5]C)	N(C[5]N[5]2H)(CNN)(H)	C(NC[5]H)(NCC)2	H(NC[5]C)	122.2830	0.000	1	122.2830	0.000	1	120.1755	8.883	2	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:	N(C[6]C[6]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	H(NC[6]C)	117.1675	0.598	2	117.1675	0.357	2	117.1675	0.357	2	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	N-3:C-3:C-3:	N-3:	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CCH)(CCO)	H(NC[6]C)	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CCH)(CCO)	H(NC[6]C)	115.6410	0.000	1	115.6410	0.000	1	115.6410	0.000	1	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	N-3:C-3:N-3:	N-3:	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(CCH)(NHH)	H(NC[6]C)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(CCH)(NHH)	H(NC[6]C)	116.8787	1.288	3	116.8787	1.660	3	116.8787	1.660	3	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6]C[6]2H)(CNN)(H)	C(NC[5]Pd)(NC[6]H)2	H(NC[6]C)	N(C[6]C[6]2H)(CNN)(H)	C(NC[5]Pd)(NC[6]H)2	H(NC[6]C)	116.4340	1.847	2	116.4340	3.411	2	116.9721	0.916	10	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)3	H(NC[6]C)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)3	H(NC[6]C)	116.8785	0.368	2	116.8785	0.136	2	116.9721	0.916	10	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]Yb)(NC[6]H)2	H(NC[6]C)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]Yb)(NC[6]H)2	H(NC[6]C)	117.3715	1.665	2	117.3715	2.773	2	116.9721	0.916	10	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6]C[6]2H)(CNN)(H)	C(NC[6a]H)(NC[6]H)2	H(NC[6]C)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6a]H)(NC[6]H)2	H(NC[6]C)	117.0883	0.564	4	117.0883	0.318	4	116.9721	0.916	10	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	N[6]-3:N-3:N-3:	N-3:	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)2	H(NC[6]C)	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)2	H(NC[6]C)	116.1020	1.209	2	116.1020	1.462	2	116.1020	1.462	2	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	N-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(NCoHH)(CNN)(H)	C(NCoN)(NHH)(NHN)	H(NCN)	N(NCoHH)(CNN)(H)	C(NCoN)(NHH)(NHN)	H(NCN)	120.4423	2.148	3	120.4423	4.615	3	118.9042	15.669	6	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	N-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(NH3)(CNN)(H)	C(NHH)(NHN)2	H(NCN)	N(NH3)(CNN)(H)	C(NHH)(NHN)2	H(NCN)	111.3190	0.000	1	111.3190	0.000	1	118.9042	15.669	6	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	N-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(NNiHH)(CNN)(H)	C(NNiN)(NHH)(NHN)	H(NCN)	N(NNiHH)(CNN)(H)	C(NNiN)(NHH)(NHN)	H(NCN)	120.3895	0.265	2	120.3895	0.070	2	118.9042	15.669	6	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	P-4:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(PC[6a]2Cr)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Cr)(NHP)	H(NCP)	N(PC[6a]2Cr)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Cr)(NHP)	H(NCP)	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	H(NCS)	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	H(NCS)	119.9970	0.000	1	119.9970	0.000	1	117.2103	12.245	3	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CCC)(H)	C(CC[6a]2)(CC[6a]O)(NHS)	H(NCS)	N(SC[6a]OO)(CCC)(H)	C(CC[6a]2)(CC[6a]O)(NHS)	H(NCS)	118.3510	0.000	1	118.3510	0.000	1	117.2103	12.245	3	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CCC)(H)	C(CHH)(COO)(NHS)	H(NCS)	N(SC[6a]OO)(CCC)(H)	C(CHH)(COO)(NHS)	H(NCS)	113.2830	0.000	1	113.2830	0.000	1	117.2103	12.245	3	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C[5]-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	H(NCS)	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	H(NCS)	122.8465	0.033	2	122.8465	0.001	2	122.8465	0.001	2	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	H(NCS)	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	H(NCS)	117.3640	1.820	2	117.3640	3.313	2	117.4293	1.669	3	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(NHS)	H(NCS)	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(NHS)	H(NCS)	117.5600	0.000	1	117.5600	0.000	1	117.4293	1.669	3	116.9555	4.740	265	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:4:	3:	C[6]-4:C-3:H-1:	N-3:C-3:C-4:	N-3:	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CBrC)(CH3)	H(NC[6]C)	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CBrC)(CH3)	H(NC[6]C)	116.9048	0.599	4	116.9048	0.358	4	116.9048	0.358	4	116.7048	0.335	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:3:4:	3:	C[6]-4:C-3:H-1:	N-3:N-3:C-4:	N-3:	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)2(CCHH)	H(NC[6]C)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)2(CCHH)	H(NC[6]C)	116.3050	0.349	2	116.3050	0.122	2	116.3050	0.122	2	116.7048	0.335	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[3]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[3]C[3]2C)(CCO)(H)	C(NC[3]H)(CH3)(O)	H(NC[3]C)	N(C[3]C[3]2C)(CCO)(H)	C(NC[3]H)(CH3)(O)	H(NC[3]C)	118.1230	1.686	2	118.1230	2.842	2	118.3215	0.715	6	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[3]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[3]C[3]2P)(CCO)(H)	C(NC[3]H)(CH3)(O)	H(NC[3]C)	N(C[3]C[3]2P)(CCO)(H)	C(NC[3]H)(CH3)(O)	H(NC[3]C)	118.4207	0.452	4	118.4207	0.204	4	118.3215	0.715	6	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[3x6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CCHN)(O)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CCHN)(O)	H(NC[3x6]C)	117.1185	0.865	2	117.1185	0.748	2	117.3194	2.222	11	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[3x6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CClHH)(O)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CClHH)(O)	H(NC[3x6]C)	117.1260	0.000	1	117.1260	0.000	1	117.3194	2.222	11	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[3x6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CH3)(O)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CH3)(O)	H(NC[3x6]C)	117.3937	1.745	8	117.3937	3.044	8	117.3194	2.222	11	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[4,5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[4,5]C[4,5]C[4,6]C[5])(CCO)(H)	C(NC[4,5]H)(CH3)(O)	H(NC[4,5]C)	N(C[4,5]C[4,5]C[4,6]C[5])(CCO)(H)	C(NC[4,5]H)(CH3)(O)	H(NC[4,5]C)	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[4]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[4]C[4,5]C[4]C)(CCO)(H)	C(NC[4]H)(CH3)(O)	H(NC[4]C)	N(C[4]C[4,5]C[4]C)(CCO)(H)	C(NC[4]H)(CH3)(O)	H(NC[4]C)	116.6920	0.000	1	116.6920	0.000	1	119.5503	6.075	21	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[4]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(NC[4]H)(CHHS)(O)	H(NC[4]C)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(NC[4]H)(CHHS)(O)	H(NC[4]C)	119.5705	0.392	2	119.5705	0.154	2	119.5503	6.075	21	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[4]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[4]C[4]2C)(CCO)(H)	C(NC[4]H)(CCHN)(O)	H(NC[4]C)	N(C[4]C[4]2C)(CCO)(H)	C(NC[4]H)(CCHN)(O)	H(NC[4]C)	120.9895	3.337	2	120.9895	11.134	2	119.5503	6.075	21	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[4]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[4]C[4]2C)(CCO)(H)	C(NC[4]H)(CH3)(O)	H(NC[4]C)	N(C[4]C[4]2C)(CCO)(H)	C(NC[4]H)(CH3)(O)	H(NC[4]C)	119.8714	2.448	13	119.8714	5.991	13	119.5503	6.075	21	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[4]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[4]C[4]2H)(CCO)(H)	C(NC[4]H)(CH3)(O)	H(NC[4]C)	N(C[4]C[4]2H)(CCO)(H)	C(NC[4]H)(CH3)(O)	H(NC[4]C)	118.1390	3.057	3	118.1390	9.346	3	119.5503	6.075	21	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	C(NC[5,6]H)(CCHN)(O)	H(NC[5,6]C)	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	C(NC[5,6]H)(CCHN)(O)	H(NC[5,6]C)	118.3200	0.246	2	118.3200	0.061	2	118.6221	1.086	14	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)	C(NC[5,6]H)(CH3)(O)	H(NC[5,6]C)	N(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)	C(NC[5,6]H)(CH3)(O)	H(NC[5,6]C)	118.7720	0.966	4	118.7720	0.933	4	118.6221	1.086	14	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5,6]C[5,5,6]C[5]C[6])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	H(NC[5,6]C)	N(C[5,6]C[5,5,6]C[5]C[6])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	H(NC[5,6]C)	119.6985	2.370	2	119.6985	5.615	2	118.6221	1.086	14	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5,6]C[6,6a]C[5,6]O[5])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	H(NC[5,6]C)	N(C[5,6]C[6,6a]C[5,6]O[5])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	H(NC[5,6]C)	118.4130	0.000	1	118.4130	0.000	1	118.6221	1.086	14	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5,6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	H(NC[5,6]C)	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	H(NC[5,6]C)	118.2344	0.751	5	118.2344	0.564	5	118.6221	1.086	14	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5,5]C[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5,5]C[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	118.3500	0.000	1	118.3500	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CC3)(O)	H(NC[5]C)	N(C[5]C[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CC3)(O)	H(NC[5]C)	119.4740	0.214	5	119.4740	0.046	5	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	116.9230	0.000	1	116.9230	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5,6]C[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5,6]C[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	119.6610	0.000	1	119.6610	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5,6]C[5]H)(CCO)(H)	C(NC[5]H)(CCl3)(O)	H(NC[5]C)	N(C[5]C[5,6]C[5]H)(CCO)(H)	C(NC[5]H)(CCl3)(O)	H(NC[5]C)	118.5680	0.301	2	118.5680	0.091	2	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5,6a]C[5,5]H)(CCO)(H)	C(NC[5]H)(CF3)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5,5]H)(CCO)(H)	C(NC[5]H)(CF3)(O)	H(NC[5]C)	120.0910	0.000	1	120.0910	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5,6a]C[5]H)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]H)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	118.5530	0.000	1	118.5530	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	C(NC[5]H)(CCHH)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	C(NC[5]H)(CCHH)(O)	H(NC[5]C)	119.2930	0.000	1	119.2930	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	119.6593	0.268	3	119.6593	0.072	3	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2C)(CCO)(H)	C(NC[5]H)(CCHN)(O)	H(NC[5]C)	N(C[5]C[5]2C)(CCO)(H)	C(NC[5]H)(CCHN)(O)	H(NC[5]C)	119.7520	0.594	19	119.7520	0.352	19	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2C)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5]2C)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	116.0547	1.750	3	116.0547	3.063	3	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CCHN)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CCHN)(O)	H(NC[5]C)	116.2228	2.364	5	116.2228	5.590	5	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CF3)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CF3)(O)	H(NC[5]C)	118.0540	0.000	1	118.0540	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	119.4440	4.076	3	119.4440	16.613	3	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CHHI)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CHHI)(O)	H(NC[5]C)	117.7360	0.000	1	117.7360	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CC3)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CC3)(O)	H(NC[5]C)	118.7034	0.415	16	118.7034	0.172	16	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCCN)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCCN)(O)	H(NC[5]C)	118.7144	1.448	18	118.7144	2.096	18	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHH)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHH)(O)	H(NC[5]C)	119.4060	0.690	2	119.4060	0.476	2	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHN)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHN)(O)	H(NC[5]C)	118.3788	0.521	11	118.3788	0.271	11	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHO)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHO)(O)	H(NC[5]C)	119.7800	0.000	1	119.7800	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CF3)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CF3)(O)	H(NC[5]C)	119.4550	0.000	1	119.4550	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	118.7093	1.041	7	118.7093	1.085	7	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CHHO)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CHHO)(O)	H(NC[5]C)	119.3610	0.000	1	119.3610	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CHHS)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CHHS)(O)	H(NC[5]C)	118.5610	0.000	1	118.5610	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]N[5]C)(CCO)(H)	C(NC[5]H)(CCHH)(O)	H(NC[5]C)	N(C[5]C[5]N[5]C)(CCO)(H)	C(NC[5]H)(CCHH)(O)	H(NC[5]C)	118.4150	0.000	1	118.4150	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]N[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[5]N[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	118.1787	1.364	3	118.1787	1.860	3	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[5]N[5]H)(CCO)(H)	C(NC[5]H)(CCCH)(O)	H(NC[5]C)	N(C[5]C[5]N[5]H)(CCO)(H)	C(NC[5]H)(CCCH)(O)	H(NC[5]C)	116.4980	0.000	1	116.4980	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[6a]C[5]N[5])(CCO)(H)	C(NC[5]H)(CHHN)(O)	H(NC[5]C)	N(C[5]C[6a]C[5]N[5])(CCO)(H)	C(NC[5]H)(CHHN)(O)	H(NC[5]C)	114.4210	0.000	1	114.4210	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]C[6a]C[5]O[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]C[6a]C[5]O[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	117.1590	0.000	1	117.1590	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]N[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CCHH)(O)	H(NC[5]C)	N(C[5]N[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CCHH)(O)	H(NC[5]C)	118.6030	0.000	1	118.6030	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[5]P[5]S[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	N(C[5]P[5]S[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	H(NC[5]C)	119.3100	0.000	1	119.3100	0.000	1	118.6887	2.099	115	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:C-4:S-1:	N-3:	N(C[5]C[5]2Fe)(CCS)(H)	C(NC[5]H)(CH3)(S)	H(NC[5]C)	N(C[5]C[5]2Fe)(CCS)(H)	C(NC[5]H)(CH3)(S)	H(NC[5]C)	116.3730	0.000	1	116.3730	0.000	1	116.3730	0.000	1	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:P-4:O-1:	N-3:	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PRh2H)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PRh2H)(O)	H(NC[5]C)	115.3660	0.894	2	115.3660	0.799	2	115.8070	2.258	4	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:P-4:O-1:	N-3:	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PRu2H)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PRu2H)(O)	H(NC[5]C)	114.6360	0.000	1	114.6360	0.000	1	115.8070	2.258	4	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[5]-4:C-3:H-1:	N-3:P-4:O-1:	N-3:	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PRuHH)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(COP)(H)	C(NC[5]H)(PRuHH)(O)	H(NC[5]C)	117.8600	0.000	1	117.8600	0.000	1	115.8070	2.258	4	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6,6]C[3x6]2H)(CCO)(H)	C(NC[6,6]H)(CCHH)(O)	H(NC[6,6]C)	N(C[6,6]C[3x6]2H)(CCO)(H)	C(NC[6,6]H)(CCHH)(O)	H(NC[6,6]C)	120.6030	0.000	1	120.6030	0.000	1	116.9928	10.521	8	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	C(NC[6,6]H)(CC[6a]3)(O)	H(NC[6,6]C)	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	C(NC[6,6]H)(CC[6a]3)(O)	H(NC[6,6]C)	119.0915	0.620	2	119.0915	0.385	2	116.9928	10.521	8	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C(NC[6,6]H)(CH3)(O)	H(NC[6,6]C)	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C(NC[6,6]H)(CH3)(O)	H(NC[6,6]C)	113.3310	3.854	2	113.3310	14.851	2	116.9928	10.521	8	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6,6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C(NC[6,6]H)(CH3)(O)	H(NC[6,6]C)	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C(NC[6,6]H)(CH3)(O)	H(NC[6,6]C)	116.8313	2.200	3	116.8313	4.838	3	116.9928	10.521	8	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CC3)(O)	H(NC[6]C)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CC3)(O)	H(NC[6]C)	118.4475	0.207	2	118.4475	0.043	2	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	H(NC[6]C)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	H(NC[6]C)	120.7247	0.795	3	120.7247	0.632	3	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	117.2678	6.890	5	117.2678	47.476	5	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[5a,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[5a,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	119.2270	0.000	1	119.2270	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6,6]C[6]C)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6,6]C[6]C)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	115.7110	0.000	1	115.7110	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	H(NC[6]C)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	H(NC[6]C)	119.2710	0.000	1	119.2710	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	118.1750	0.000	1	118.1750	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	H(NC[6]C)	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	H(NC[6]C)	118.3090	0.000	1	118.3090	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	H(NC[6]C)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	H(NC[6]C)	119.7620	0.000	1	119.7620	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	118.9243	2.748	3	118.9243	7.552	3	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CHHO)(O)	H(NC[6]C)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CHHO)(O)	H(NC[6]C)	118.3370	0.000	1	118.3370	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6,6a]N[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6,6a]N[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	119.6860	0.000	1	119.6860	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCCN)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCCN)(O)	H(NC[6]C)	118.6365	0.097	2	118.6365	0.009	2	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCHH)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCHH)(O)	H(NC[6]C)	115.7920	0.000	1	115.7920	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCHN)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCHN)(O)	H(NC[6]C)	119.2447	0.180	3	119.2447	0.032	3	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCl3)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCl3)(O)	H(NC[6]C)	118.9955	0.186	2	118.9955	0.035	2	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CF3)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CF3)(O)	H(NC[6]C)	118.2400	2.393	2	118.2400	5.726	2	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	118.8280	2.222	5	118.8280	4.938	5	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCCN)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCCN)(O)	H(NC[6]C)	115.1970	3.267	2	115.1970	10.672	2	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCFF)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCFF)(O)	H(NC[6]C)	119.0090	0.513	5	119.0090	0.263	5	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	H(NC[6]C)	118.2027	0.979	16	118.2027	0.958	16	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHN)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHN)(O)	H(NC[6]C)	118.2908	1.876	27	118.2908	3.518	27	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	H(NC[6]C)	119.0947	1.219	3	119.0947	1.486	3	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CF3)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CF3)(O)	H(NC[6]C)	119.9187	1.065	4	119.9187	1.133	4	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	118.7816	1.918	55	118.7816	3.681	55	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHI)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHI)(O)	H(NC[6]C)	118.5150	0.000	1	118.5150	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHN)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHN)(O)	H(NC[6]C)	117.8510	0.000	1	117.8510	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHO)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHO)(O)	H(NC[6]C)	117.9395	0.329	2	117.9395	0.108	2	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHS)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHS)(O)	H(NC[6]C)	118.2520	0.106	2	118.2520	0.011	2	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]N[6]C)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6]N[6]C)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	119.6410	0.000	1	119.6410	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]N[6]H)(CCO)(H)	C(NC[6]H)(CCCH)(O)	H(NC[6]C)	N(C[6]C[6]N[6]H)(CCO)(H)	C(NC[6]H)(CCCH)(O)	H(NC[6]C)	118.6580	0.000	1	118.6580	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]N[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6]N[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	117.8600	0.000	1	117.8600	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CCHN)(O)	H(NC[6]C)	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CCHN)(O)	H(NC[6]C)	117.7210	0.000	1	117.7210	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CClCH)(O)	H(NC[6]C)	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CClCH)(O)	H(NC[6]C)	123.1110	0.000	1	123.1110	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CClHH)(O)	H(NC[6]C)	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CClHH)(O)	H(NC[6]C)	112.1550	2.708	2	112.1550	7.334	2	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	H(NC[6]C)	118.7963	1.217	7	118.7963	1.482	7	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6]C[6a]C[6]2)(CCO)(H)	C(NC[6]H)(CHHN)(O)	H(NC[6]C)	N(C[6]C[6a]C[6]2)(CCO)(H)	C(NC[6]H)(CHHN)(O)	H(NC[6]C)	117.7970	0.000	1	117.7970	0.000	1	118.5205	4.534	169	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	C[6]-4:C-3:H-1:	N-3:P-4:O-1:	N-3:	N(C[6]C[6]2H)(COP)(H)	C(NC[6]H)(PO3)(O)	H(NC[6]C)	N(C[6]C[6]2H)(COP)(H)	C(NC[6]H)(PO3)(O)	H(NC[6]C)	115.1950	0.000	1	115.1950	0.000	1	115.1950	0.000	1	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	P[6]-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(P[6]N[6]2O)(CCO)(H)	C(NP[6]H)(CF3)(O)	H(NP[6]C)	N(P[6]N[6]2O)(CCO)(H)	C(NP[6]H)(CF3)(O)	H(NP[6]C)	118.8690	0.000	2	118.8690	0.000	2	118.8690	0.000	2	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:1:	3:	Si-4:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(SiSi2C)(CCO)(H)	C(NSiH)(CH3)(O)	H(NSiC)	N(SiSi2C)(CCO)(H)	C(NSiH)(CH3)(O)	H(NSiC)	117.9740	0.000	1	117.9740	0.000	1	117.9740	0.000	1	118.5199	3.821	354	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:2:	3:	C[3x6]-4:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CH3)(OH)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CH3)(OH)	H(NC[3x6]C)	115.2020	0.000	1	115.2020	0.000	1	115.2020	0.000	1	117.9865	2.737	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:2:	3:	C[6]-4:C-3:H-1:	N-3:C-4:N-2:	N-3:	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(CH3)(NS)	H(NC[6]C)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(CH3)(NS)	H(NC[6]C)	117.5250	0.638	2	117.5250	0.407	2	117.5250	0.407	2	117.9865	2.737	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:2:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCHH)(OH)	H(NC[6]C)	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCHH)(OH)	H(NC[6]C)	119.2625	0.712	2	119.2625	0.507	2	119.2223	0.258	3	117.9865	2.737	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:2:	3:	C[6]-4:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CH3)(OH)	H(NC[6]C)	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CH3)(OH)	H(NC[6]C)	119.1420	0.000	1	119.1420	0.000	1	119.2223	0.258	3	117.9865	2.737	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:N-3:	N-3:	N(CC[6a]CH)(CCC)(H)	C(CN[5]C)(CH3)(NCH)	H(NCC)	N(CC[6a]CH)(CCC)(H)	C(CN[5]C)(CH3)(NCH)	H(NCC)	118.6230	0.000	1	118.6230	0.000	1	117.6905	1.739	2	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C-3:C-4:N-3:	N-3:	N(CC[6a]HH)(CCC)(H)	C(CN[5a]C)(CH3)(NCH)	H(NCC)	N(CC[6a]HH)(CCC)(H)	C(CN[5a]C)(CH3)(NCH)	H(NCC)	116.7580	0.000	1	116.7580	0.000	1	117.6905	1.739	2	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C[6]-3:C-4:N-3:	N-3:	N(CC[6a]HH)(CC[6]C)(H)	C(C[6]C[6]2)(CH3)(NCH)	H(NCC)	N(CC[6a]HH)(CC[6]C)(H)	C(C[6]C[6]2)(CH3)(NCH)	H(NCC)	115.8233	1.856	3	115.8233	3.444	3	115.8233	3.444	3	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-4:N-3:	N-3:	N(CC[6a]CH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CBCH)(NCH)	H(NCC)	N(CC[6a]CH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CBCH)(NCH)	H(NCC)	115.8210	0.000	1	115.8210	0.000	1	113.0393	63.358	3	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	C[6a]-3:C-4:N-3:	N-3:	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(NCH)	H(NCC)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(NCH)	H(NCC)	111.6485	10.729	2	111.6485	115.110	2	113.0393	63.358	3	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(CCCH)(CCN)(H)	C(NReH)(CH3)(NCH)	H(NCC)	N(CCCH)(CCN)(H)	C(NReH)(CH3)(NCH)	H(NCC)	116.3440	0.000	1	116.3440	0.000	1	114.9140	10.976	5	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(CCHH)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CH3)(NCH)	H(NCC)	N(CCHH)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CH3)(NCH)	H(NCC)	111.6790	0.000	1	111.6790	0.000	1	114.9140	10.976	5	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(CCHH)(CCN)(H)	C(NRuH)(CH3)(NCH)	H(NCC)	N(CCHH)(CCN)(H)	C(NRuH)(CH3)(NCH)	H(NCC)	114.1960	4.456	2	114.1960	19.858	2	114.9140	10.976	5	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C-4:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(CC[6a]HH)(CCN)(H)	C(NReH)(CH3)(NCH)	H(NCC)	N(CC[6a]HH)(CCN)(H)	C(NReH)(CH3)(NCH)	H(NCC)	118.1550	0.000	1	118.1550	0.000	1	114.9140	10.976	5	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C[5]-4:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[5]C[5,6a]C[5]H)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	H(NC[5]C)	N(C[5]C[5,6a]C[5]H)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	H(NC[5]C)	115.2600	0.000	1	115.2600	0.000	1	113.8230	1.825	3	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C[5]-4:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[5]C[5]2Fe)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	H(NC[5]C)	N(C[5]C[5]2Fe)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	H(NC[5]C)	113.1045	0.743	2	113.1045	0.552	2	113.8230	1.825	3	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	C[6]-4:C-3:H-1:	N-3:C-4:C-3:	N-3:	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CH3)(CCH)	H(NC[6]C)	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CH3)(CCH)	H(NC[6]C)	115.3785	0.153	2	115.3785	0.024	2	115.3785	0.024	2	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	N-4:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(NPdHH)(CCN)(H)	C(NPdN)(CH3)(NHN)	H(NCN)	N(NPdHH)(CCN)(H)	C(NPdN)(CH3)(NHN)	H(NCN)	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	S-4:C-3:H-1:	C-3:C-4:N-3:	N-3:	N(SC[6a]OO)(CCC)(H)	C(CC[6a]P[6])(CH3)(NHS)	H(NCS)	N(SC[6a]OO)(CCC)(H)	C(CC[6a]P[6])(CH3)(NHS)	H(NCS)	106.1310	0.000	1	106.1310	0.000	1	111.2230	51.857	2	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	S-4:C-3:H-1:	C-3:C-4:N-3:	N-3:	N(SO3)(CCC)(H)	C(CC[6a]C)(CCHH)(NHS)	H(NCS)	N(SO3)(CCC)(H)	C(CC[6a]C)(CCHH)(NHS)	H(NCS)	116.3150	0.000	1	116.3150	0.000	1	111.2230	51.857	2	114.8587	16.465	21	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:2:3:	3:	C-4:C-3:H-1:	C-4:N-2:N-3:	N-3:	N(CC3)(CCN)(H)	C(CC[6a]HN)(NC[6a])(NCH)	H(NCC)	N(CC3)(CCN)(H)	C(CC[6a]HN)(NC[6a])(NCH)	H(NCC)	116.2193	0.399	4	116.2193	0.159	4	117.5723	2.193	9	117.5723	2.193	9	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:2:3:	3:	C-4:C-3:H-1:	C-4:N-2:N-3:	N-3:	N(CCHH)(CCN)(H)	C(CC[5a]HH)(NC[6a])(NCH)	H(NCC)	N(CCHH)(CCN)(H)	C(CC[5a]HH)(NC[6a])(NCH)	H(NCC)	117.4050	0.000	1	117.4050	0.000	1	117.5723	2.193	9	117.5723	2.193	9	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:2:3:	3:	C-4:C-3:H-1:	C-4:N-2:N-3:	N-3:	N(CC[6a]HH)(CCN)(H)	C(CC[5a]HH)(NC[6a])(NCH)	H(NCC)	N(CC[6a]HH)(CCN)(H)	C(CC[5a]HH)(NC[6a])(NCH)	H(NCC)	118.9673	0.803	4	118.9673	0.645	4	117.5723	2.193	9	117.5723	2.193	9	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:H-1:	N-3:	N(CCHH)(CCH)(H)	C(CH3)(NCH)(H)	H(NCC)	N(CCHH)(CCH)(H)	C(CH3)(NCH)(H)	H(NCC)	108.0060	0.000	1	108.0060	0.000	1	108.0060	0.000	1	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CBrCC)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CBrCC)(NCH)(O)	H(NCC)	117.9900	0.761	2	117.9900	0.579	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	119.2325	2.200	4	119.2325	4.839	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	117.6180	2.877	7	117.6180	8.276	7	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	119.1038	2.336	144	119.1038	5.457	144	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCCO)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCCO)(NCH)(O)	H(NCC)	114.2590	0.000	1	114.2590	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCFN)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCFN)(NCH)(O)	H(NCC)	117.3750	1.039	2	117.3750	1.080	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	117.1067	1.512	15	117.1067	2.286	15	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	118.7746	2.084	102	118.7746	4.342	102	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	119.4220	4.595	4	119.4220	21.117	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	118.6790	0.914	2	118.6790	0.835	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	H(NCC)	117.1550	0.555	4	117.1550	0.308	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[5a]HO)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[5a]HO)(NCH)(O)	H(NCC)	117.0838	0.251	4	117.0838	0.063	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	117.0595	1.528	12	117.0595	2.334	12	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6]HO)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6]HO)(NCH)(O)	H(NCC)	117.3900	0.000	1	117.3900	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	117.4860	0.000	1	117.4860	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	118.9570	0.120	2	118.9570	0.014	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	H(NCC)	116.9011	0.701	11	116.9011	0.491	11	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	117.0120	0.867	3	117.0120	0.751	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6a]N[4]H)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6a]N[4]H)(NCH)(O)	H(NCC)	115.7670	0.000	1	115.7670	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6a]N[5]H)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6a]N[5]H)(NCH)(O)	H(NCC)	116.7970	0.883	13	116.7970	0.779	13	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CC[6a]N[6]H)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6a]N[6]H)(NCH)(O)	H(NCC)	115.1290	0.000	1	115.1290	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	118.7253	2.065	12	118.7253	4.264	12	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	118.6224	1.491	9	118.6224	2.224	9	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	117.3075	0.303	2	117.3075	0.092	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CN[5]HH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CN[5]HH)(NCH)(O)	H(NCC)	115.2950	0.000	1	115.2950	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	H(NCC)	116.6250	0.647	3	116.6250	0.419	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	121.0684	2.288	7	121.0684	5.235	7	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	118.0324	2.083	17	118.0324	4.339	17	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	119.4497	2.155	95	119.4497	4.644	95	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	118.7352	1.283	103	118.7352	1.646	103	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	119.1707	1.827	382	119.1707	3.340	382	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	118.9408	1.312	13	118.9408	1.722	13	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCHS)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCHS)(NCH)(O)	H(NCC)	117.3037	2.371	3	117.3037	5.622	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[5,6]HH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[5,6]HH)(NCH)(O)	H(NCC)	118.9200	2.110	2	118.9200	4.452	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	117.9880	2.520	4	117.9880	6.350	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[5a]N[6]H)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[5a]N[6]H)(NCH)(O)	H(NCC)	118.8405	0.457	2	118.8405	0.209	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	H(NCC)	118.6633	1.125	4	118.6633	1.266	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[6]CH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[6]CH)(NCH)(O)	H(NCC)	120.0656	1.272	5	120.0656	1.618	5	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	118.0133	0.683	3	118.0133	0.466	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	118.2198	0.423	5	118.2198	0.179	5	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	119.8674	1.694	5	119.8674	2.868	5	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[6a]CO)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[6a]CO)(NCH)(O)	H(NCC)	111.2010	0.000	1	111.2010	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	119.4607	1.092	3	119.4607	1.193	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	H(NCC)	119.8007	0.434	3	119.8007	0.189	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	114.0840	0.000	1	114.0840	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCl3)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCl3)(NCH)(O)	H(NCC)	120.6065	1.535	2	120.6065	2.357	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	119.0122	0.954	5	119.0122	0.911	5	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CFFS)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CFFS)(NCH)(O)	H(NCC)	118.2690	0.000	1	118.2690	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	118.9402	1.737	92	118.9402	3.016	92	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	119.0499	1.795	103	119.0499	3.220	103	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CHHO)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CHHO)(NCH)(O)	H(NCC)	119.6989	1.993	20	119.6989	3.972	20	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CHHS)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CHHS)(NCH)(O)	H(NCC)	119.9170	0.000	1	119.9170	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CN[4]CC)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CN[4]CC)(NCH)(O)	H(NCC)	118.5365	0.588	2	118.5365	0.345	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	119.3440	0.000	1	119.3440	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	H(NCC)	119.4540	0.792	2	119.4540	0.627	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CN[5a]FF)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CN[5a]FF)(NCH)(O)	H(NCC)	119.1840	0.000	1	119.1840	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	H(NCC)	118.8630	0.263	2	118.8630	0.069	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CN[6]CH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CN[6]CH)(NCH)(O)	H(NCC)	118.8790	0.000	1	118.8790	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CN[6]HH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CN[6]HH)(NCH)(O)	H(NCC)	117.8330	1.472	3	117.8330	2.168	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	H(NCC)	119.1243	0.617	3	119.1243	0.380	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CPdCH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CPdCH)(NCH)(O)	H(NCC)	118.0640	0.518	2	118.0640	0.268	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCS)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CCCS)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	116.5600	0.000	1	116.5600	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CBrHH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CBrHH)(NCH)(O)	H(NCC)	118.5130	0.000	1	118.5130	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	118.6558	1.734	10	118.6558	3.007	10	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	116.5584	7.578	7	116.5584	57.431	7	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	118.8308	2.523	24	118.8308	6.366	24	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCCS)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCCS)(NCH)(O)	H(NCC)	120.8310	0.000	1	120.8310	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCFF)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCFF)(NCH)(O)	H(NCC)	119.7880	0.231	2	119.7880	0.053	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCFH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCFH)(NCH)(O)	H(NCC)	118.4468	2.051	4	118.4468	4.207	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	117.7580	2.167	77	117.7580	4.698	77	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	118.5077	2.504	87	118.5077	6.271	87	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	119.0765	2.001	10	119.0765	4.005	10	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	119.1550	0.000	1	119.1550	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[5]HO)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[5]HO)(NCH)(O)	H(NCC)	120.2930	0.000	1	120.2930	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[5a]HH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[5a]HH)(NCH)(O)	H(NCC)	117.5287	2.012	3	117.5287	4.049	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	H(NCC)	117.6670	0.000	1	117.6670	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[6]CH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[6]CH)(NCH)(O)	H(NCC)	118.4065	0.659	4	118.4065	0.435	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	118.8543	0.345	4	118.8543	0.119	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	118.6836	0.515	5	118.6836	0.266	5	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	118.3563	2.014	3	118.3563	4.057	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	118.5423	3.951	7	118.5423	15.610	7	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	118.3150	0.734	3	118.3150	0.538	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CCl2C)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CCl2C)(NCH)(O)	H(NCC)	119.3590	0.431	2	119.3590	0.186	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CClCH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CClCH)(NCH)(O)	H(NCC)	117.5580	2.495	2	117.5580	6.223	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CClHH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CClHH)(NCH)(O)	H(NCC)	118.9090	1.247	8	118.9090	1.556	8	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	119.8767	0.241	3	119.8767	0.058	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	118.8691	2.318	44	118.8691	5.375	44	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CHHI)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CHHI)(NCH)(O)	H(NCC)	118.9220	0.000	1	118.9220	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	118.9428	1.418	93	118.9428	2.010	93	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CHHO)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CHHO)(NCH)(O)	H(NCC)	118.5763	2.053	70	118.5763	4.216	70	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CHHP)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CHHP)(NCH)(O)	H(NCC)	119.1832	1.350	5	119.1832	1.822	5	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CMoCC)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CMoCC)(NCH)(O)	H(NCC)	119.7330	0.000	1	119.7330	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CN[5]2H)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CN[5]2H)(NCH)(O)	H(NCC)	119.2450	0.000	1	119.2450	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	119.3640	6.389	2	119.3640	40.825	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CN[5]HH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CN[5]HH)(NCH)(O)	H(NCC)	119.9810	0.776	5	119.9810	0.603	5	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CN[5a]2H)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CN[5a]2H)(NCH)(O)	H(NCC)	118.4560	0.000	1	118.4560	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	H(NCC)	116.9485	1.020	2	116.9485	1.041	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	H(NCC)	115.1875	5.008	2	115.1875	25.084	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CN[6]CH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CN[6]CH)(NCH)(O)	H(NCC)	119.8777	0.678	3	119.8777	0.460	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CN[6]HH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CN[6]HH)(NCH)(O)	H(NCC)	122.1040	0.000	1	122.1040	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	H(NCC)	119.4370	0.224	3	119.4370	0.050	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHO)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	N(CCHO)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	118.3270	0.000	1	118.3270	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCPP)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CCPP)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	117.9580	0.000	1	117.9580	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[3]HH)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	N(CC[3]HH)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	120.4160	0.000	1	120.4160	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[3x3,4,3x5,14x6]HH)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	N(CC[3x3,4,3x5,14x6]HH)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	119.1530	0.000	1	119.1530	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[3x4,3x6]HH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	H(NCC)	N(CC[3x4,3x6]HH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	H(NCC)	118.3785	0.050	2	118.3785	0.003	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[3x6]CH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[3x6]CH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	119.6740	0.000	1	119.6740	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[4]HH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC[4]HH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	119.5630	0.445	4	119.5630	0.198	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5,6]CH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[5,6]CH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	118.0395	0.340	2	118.0395	0.116	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5]CC)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC[5]CC)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	116.7310	0.000	1	116.7310	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5]CC)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[5]CC)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	116.7680	0.000	1	116.7680	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5]CH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC[5]CH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	117.8370	0.000	1	117.8370	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5]CH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC[5]CH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	118.7150	0.000	1	118.7150	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5]CH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[5]CH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	117.7498	0.466	5	117.7498	0.217	5	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5]C[6]H)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	N(CC[5]C[6]H)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	117.3470	0.000	1	117.3470	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5]HH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC[5]HH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	118.0697	1.195	3	118.0697	1.427	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5]HH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	N(CC[5]HH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	117.3213	3.078	9	117.3213	9.474	9	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5]HH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[5]HH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	118.5378	1.006	16	118.5378	1.012	16	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5a]CH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CC[5a]CH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	116.2260	1.967	2	116.2260	3.870	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC[5a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	118.5413	2.621	6	118.5413	6.867	6	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5a]CH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC[5a]CH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	118.9172	0.794	6	118.9172	0.631	6	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5a]C[6a]C)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[5a]C[6a]C)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	117.6960	0.000	1	117.6960	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC[5a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	118.5075	0.275	2	118.5075	0.076	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC[5a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	118.8895	0.032	2	118.8895	0.001	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5a]HH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	N(CC[5a]HH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	119.8940	0.000	1	119.8940	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5a]HH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[5a]HH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	119.1053	0.660	3	119.1053	0.435	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]2H)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[6]2H)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	120.0780	0.000	1	120.0780	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]CC)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[6]CC)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	116.6090	1.299	4	116.6090	1.688	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]CH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC[6]CH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	118.4957	1.237	3	118.4957	1.529	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]CH)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	N(CC[6]CH)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	117.9290	0.694	4	117.9290	0.482	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]CH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[6]CH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	117.6482	0.694	4	117.6482	0.481	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]HH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CC[6]HH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	120.9340	0.000	1	120.9340	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]HH)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	N(CC[6]HH)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	117.9830	0.192	2	117.9830	0.037	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]HH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC[6]HH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	115.3220	0.000	1	115.3220	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]HH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC[6]HH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	118.4497	0.540	6	118.4497	0.292	6	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]HH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	N(CC[6]HH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	119.4050	0.000	1	119.4050	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]HH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[6]HH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	119.3393	1.499	13	119.3393	2.248	13	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6]HH)(CCO)(H)	C(CHHO)(NCH)(O)	H(NCC)	N(CC[6]HH)(CCO)(H)	C(CHHO)(NCH)(O)	H(NCC)	118.7040	0.000	1	118.7040	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]2H)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CC[6a]2H)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	120.1291	0.619	7	120.1291	0.383	7	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]2H)(CCO)(H)	C(CC[5]CN)(NCH)(O)	H(NCC)	N(CC[6a]2H)(CCO)(H)	C(CC[5]CN)(NCH)(O)	H(NCC)	119.7980	0.000	1	119.7980	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]2H)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	N(CC[6a]2H)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	119.1050	0.000	1	119.1050	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]2H)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[6a]2H)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	118.4939	1.090	9	118.4939	1.189	9	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]2H)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CC[6a]2H)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	119.1460	0.000	1	119.1460	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CC)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CC[6a]CC)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	120.4380	0.000	1	120.4380	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CC)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC[6a]CC)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	118.1640	0.000	1	118.1640	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CC)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	N(CC[6a]CC)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	117.4275	0.578	2	117.4275	0.334	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CC)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CC[6a]CC)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	117.3085	2.360	4	117.3085	5.571	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CC)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	N(CC[6a]CC)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	117.3780	0.320	2	117.3780	0.102	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CBrCC)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CBrCC)(NCH)(O)	H(NCC)	119.5740	0.000	1	119.5740	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	121.1667	2.599	4	121.1667	6.755	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	118.3343	0.610	6	118.3343	0.373	6	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	120.6890	6.495	3	120.6890	42.190	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CCFF)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CCFF)(NCH)(O)	H(NCC)	118.1510	0.379	2	118.1510	0.144	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CCFH)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CCFH)(NCH)(O)	H(NCC)	118.6370	0.345	2	118.6370	0.119	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	118.2884	1.823	9	118.2884	3.322	9	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	119.2120	0.627	3	119.2120	0.393	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	114.6770	2.544	2	114.6770	6.473	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CCHS)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CCHS)(NCH)(O)	H(NCC)	118.7277	1.215	3	118.7277	1.476	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[5]CH)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[5]CH)(NCH)(O)	H(NCC)	116.9930	0.605	2	116.9930	0.366	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	116.8900	1.073	2	116.8900	1.152	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[5a]HH)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[5a]HH)(NCH)(O)	H(NCC)	116.5860	0.000	1	116.5860	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[6]FF)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[6]FF)(NCH)(O)	H(NCC)	118.7130	0.000	1	118.7130	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	117.9070	0.000	1	117.9070	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	118.4177	1.617	3	118.4177	2.615	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	118.7860	0.000	1	118.7860	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[6a]CO)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]CO)(NCH)(O)	H(NCC)	119.3600	5.530	2	119.3600	30.576	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	117.9910	0.000	1	117.9910	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	H(NCC)	119.7150	0.000	1	119.7150	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	120.1510	0.000	1	120.1510	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	118.8566	0.758	21	118.8566	0.575	21	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	117.8441	3.194	8	117.8441	10.199	8	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CHHS)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CHHS)(NCH)(O)	H(NCC)	118.5070	0.687	2	118.5070	0.472	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	H(NCC)	120.0230	0.000	1	120.0230	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]C[5]H)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	N(CC[6a]C[5]H)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	117.8115	1.535	2	117.8115	2.357	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]C[5]H)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[6a]C[5]H)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	118.6367	0.429	3	118.6367	0.184	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]C[6]H)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CC[6a]C[6]H)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	119.7610	2.406	2	119.7610	5.787	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]C[6]H)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	N(CC[6a]C[6]H)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	117.8750	0.000	1	117.8750	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	120.6960	1.125	3	120.6960	1.266	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	123.7884	10.142	5	123.7884	102.857	5	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCCO)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCCO)(NCH)(O)	H(NCC)	118.2905	1.343	2	118.2905	1.803	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCFF)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCFF)(NCH)(O)	H(NCC)	123.2360	0.000	1	123.2360	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCFH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCFH)(NCH)(O)	H(NCC)	119.2814	1.515	7	119.2814	2.295	7	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	118.2329	1.694	19	118.2329	2.871	19	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	119.3484	3.278	9	119.3484	10.746	9	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	116.4250	0.000	1	116.4250	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCHS)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCHS)(NCH)(O)	H(NCC)	119.7400	0.000	1	119.7400	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCOP)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCOP)(NCH)(O)	H(NCC)	120.4550	0.000	1	120.4550	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	118.3340	0.546	2	118.3340	0.298	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	H(NCC)	121.4390	0.000	1	121.4390	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	H(NCC)	118.6080	0.000	1	118.6080	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[6]HN)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[6]HN)(NCH)(O)	H(NCC)	119.2457	2.536	6	119.2457	6.434	6	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	122.1240	0.000	1	122.1240	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	115.1310	3.496	2	115.1310	12.222	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[6a]C[6]H)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]C[6]H)(NCH)(O)	H(NCC)	119.5480	0.000	1	119.5480	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	119.5777	0.946	4	119.5777	0.895	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	H(NCC)	119.4460	0.000	1	119.4460	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	118.5550	0.000	1	118.5550	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CClHH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CClHH)(NCH)(O)	H(NCC)	118.4580	0.000	1	118.4580	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	118.7288	0.615	8	118.7288	0.379	8	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	119.6775	1.439	2	119.6775	2.071	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CHHO)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CHHO)(NCH)(O)	H(NCC)	118.4930	0.975	26	118.4930	0.951	26	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CHHP)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CHHP)(NCH)(O)	H(NCC)	117.6950	0.000	1	117.6950	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CHOS)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CHOS)(NCH)(O)	H(NCC)	118.8320	0.000	1	118.8320	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	116.1490	0.000	1	116.1490	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	H(NCC)	120.7460	0.000	1	120.7460	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	H(NCC)	119.9612	1.927	6	119.9612	3.711	6	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HN)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	N(CC[6a]HN)(CCO)(H)	C(CF3)(NCH)(O)	H(NCC)	119.1850	0.000	1	119.1850	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[6a]HP)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC[6a]HP)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	119.1575	0.074	2	119.1575	0.006	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CC3)(NCH)(O)	H(NCC)	119.1185	0.182	2	119.1185	0.033	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CCCH)(NCH)(O)	H(NCC)	118.3574	1.151	10	118.3574	1.325	10	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	119.2628	1.358	11	119.2628	1.843	11	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	118.9014	0.888	20	118.9014	0.788	20	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	118.8399	2.960	22	118.8399	8.759	22	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CCHO)(NCH)(O)	H(NCC)	118.3338	0.953	12	118.3338	0.909	12	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CC[5]FH)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CC[5]FH)(NCH)(O)	H(NCC)	117.7380	2.940	4	117.7380	8.646	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CC[5]HH)(NCH)(O)	H(NCC)	120.7404	2.304	5	120.7404	5.309	5	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CC[5a]HO)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CC[5a]HO)(NCH)(O)	H(NCC)	121.1750	0.000	1	121.1750	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CC[6a]3)(NCH)(O)	H(NCC)	119.3700	0.000	1	119.3700	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CC[6a]CC)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CC[6a]CC)(NCH)(O)	H(NCC)	118.8910	0.000	1	118.8910	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	H(NCC)	117.2515	1.061	4	117.2515	1.127	4	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CC[6a]N[4]H)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CC[6a]N[4]H)(NCH)(O)	H(NCC)	120.6020	0.000	1	120.6020	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CClHH)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CClHH)(NCH)(O)	H(NCC)	118.0490	1.037	2	118.0490	1.075	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CFeCH)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CFeCH)(NCH)(O)	H(NCC)	118.1140	0.000	1	118.1140	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	120.4985	1.406	2	120.4985	1.978	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	118.5430	0.758	2	118.5430	0.575	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CHHO)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CHHO)(NCH)(O)	H(NCC)	118.7225	0.265	2	118.7225	0.070	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CN[4]CC)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CN[4]CC)(NCH)(O)	H(NCC)	123.0800	0.000	1	123.0800	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	122.5500	0.638	2	122.5500	0.407	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CH3)(CCO)(H)	C(CN[6]CH)(NCH)(O)	H(NCC)	N(CH3)(CCO)(H)	C(CN[6]CH)(NCH)(O)	H(NCC)	120.6715	2.798	2	120.6715	7.829	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CHHN)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CHHN)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	118.0310	1.850	2	118.0310	3.422	2	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CHHO)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CHHO)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	118.4040	0.000	1	118.4040	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CHHP)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CHHP)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	119.0110	3.103	3	119.0110	9.631	3	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CSnCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	N(CSnCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	H(NCC)	118.7180	0.000	1	118.7180	0.000	1	118.8049	4.263	2236	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:S-1:	N-3:	N(CC3)(CCS)(H)	C(CHHN)(NCH)(S)	H(NCC)	N(CC3)(CCS)(H)	C(CHHN)(NCH)(S)	H(NCC)	117.7840	0.532	2	117.7840	0.283	2	117.9991	4.806	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:S-1:	N-3:	N(CC3)(CCS)(H)	C(CN[5a]2H)(NCH)(S)	H(NCC)	N(CC3)(CCS)(H)	C(CN[5a]2H)(NCH)(S)	H(NCC)	115.1610	0.000	1	115.1610	0.000	1	117.9991	4.806	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:S-1:	N-3:	N(CCCH)(CCS)(H)	C(CCCH)(NCH)(S)	H(NCC)	N(CCCH)(CCS)(H)	C(CCCH)(NCH)(S)	H(NCC)	117.5010	0.000	1	117.5010	0.000	1	117.9991	4.806	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:S-1:	N-3:	N(CCCH)(CCS)(H)	C(CC[6a]CH)(NCH)(S)	H(NCC)	N(CCCH)(CCS)(H)	C(CC[6a]CH)(NCH)(S)	H(NCC)	117.0490	0.000	1	117.0490	0.000	1	117.9991	4.806	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:S-1:	N-3:	N(CCHH)(CCS)(H)	C(CH3)(NCH)(S)	H(NCC)	N(CCHH)(CCS)(H)	C(CH3)(NCH)(S)	H(NCC)	120.4710	0.000	1	120.4710	0.000	1	117.9991	4.806	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:S-1:	N-3:	N(CC[3x6]CH)(CCS)(H)	C(CH3)(NCH)(S)	H(NCC)	N(CC[3x6]CH)(CCS)(H)	C(CH3)(NCH)(S)	H(NCC)	116.9910	0.000	1	116.9910	0.000	1	117.9991	4.806	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:S-1:	N-3:	N(CC[6a]HH)(CCS)(H)	C(CH3)(NCH)(S)	H(NCC)	N(CC[6a]HH)(CCS)(H)	C(CH3)(NCH)(S)	H(NCC)	117.3540	0.000	1	117.3540	0.000	1	117.9991	4.806	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:S-1:	N-3:	N(CH3)(CCS)(H)	C(CCCH)(NCH)(S)	H(NCC)	N(CH3)(CCS)(H)	C(CCCH)(NCH)(S)	H(NCC)	118.7786	3.062	5	118.7786	9.378	5	117.9991	4.806	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[3]O)(H)	C(C[3]C[3]2C)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[3]O)(H)	C(C[3]C[3]2C)(NCH)(O)	H(NCC)	116.3588	5.825	5	116.3588	33.926	5	118.2370	16.047	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[3]O)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[3]O)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	118.8432	2.322	4	118.8432	5.390	4	118.2370	16.047	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[3]O)(H)	C(C[3]C[3]2F)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[3]O)(H)	C(C[3]C[3]2F)(NCH)(O)	H(NCC)	119.3190	2.776	2	119.3190	7.707	2	118.2370	16.047	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[3]O)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[3]O)(H)	C(C[3]C[3]2H)(NCH)(O)	H(NCC)	120.6380	0.000	2	120.6380	0.000	2	118.2370	16.047	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[4,5]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[4,5]O)(H)	C(C[4,5]C[4,5,5]2H)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[4,5]O)(H)	C(C[4,5]C[4,5,5]2H)(NCH)(O)	H(NCC)	119.0130	0.000	1	119.0130	0.000	1	119.0130	0.000	1	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[4,6]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[4,6]O)(H)	C(C[4,6]C[4,6]2O[6])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[4,6]O)(H)	C(C[4,6]C[4,6]2O[6])(NCH)(O)	H(NCC)	118.9365	0.375	4	118.9365	0.140	4	118.9365	0.140	4	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4,6]C[4]H)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4,6]C[4]H)(NCH)(O)	H(NCC)	118.3030	0.000	1	118.3030	0.000	1	118.6112	0.075	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4]2F)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4]2F)(NCH)(O)	H(NCC)	118.7280	0.000	1	118.7280	0.000	1	118.6112	0.075	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4]2H)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4]2H)(NCH)(O)	H(NCC)	118.8140	0.000	1	118.8140	0.000	1	118.6112	0.075	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4]N[4]H)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[4]O)(H)	C(C[4]C[4]N[4]H)(NCH)(O)	H(NCC)	118.3320	0.000	1	118.3320	0.000	1	118.6112	0.075	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[4]O)(H)	C(C[4]C[6a]C[4]N[4])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[4]O)(H)	C(C[4]C[6a]C[4]N[4])(NCH)(O)	H(NCC)	118.8790	0.000	1	118.8790	0.000	1	118.6112	0.075	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]N[5])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]N[5])(NCH)(O)	H(NCC)	119.0940	0.000	1	119.0940	0.000	1	118.1616	0.207	8	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[5,6]O)(H)	C(C[5,6]N[5,6]C[5]C[6])(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[5,6]O)(H)	C(C[5,6]N[5,6]C[5]C[6])(NCH)(O)	H(NCC)	117.9682	0.168	4	117.9682	0.028	4	118.1616	0.207	8	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(NCH)(O)	H(NCC)	118.1087	0.412	3	118.1087	0.170	3	118.1616	0.207	8	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[5]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	119.6453	0.643	3	119.6453	0.413	3	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	N(CC[5]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	118.7260	1.437	2	118.7260	2.065	2	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]HH)(CC[5]O)(H)	C(C[5]C[5]2O)(NCH)(O)	H(NCC)	N(CC[5]HH)(CC[5]O)(H)	C(C[5]C[5]2O)(NCH)(O)	H(NCC)	119.3040	0.000	1	119.3040	0.000	1	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]HH)(CC[5]O)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	H(NCC)	N(CC[5]HH)(CC[5]O)(H)	C(C[5]C[5]O[5]H)(NCH)(O)	H(NCC)	119.2577	0.557	3	119.2577	0.310	3	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5a]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[5a]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	119.0222	0.465	5	119.0222	0.216	5	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5a]HH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[5a]HH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	121.1270	0.000	1	121.1270	0.000	1	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6]CC)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[6]CC)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	116.1760	0.000	1	116.1760	0.000	1	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	N(CC[6]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	117.9860	2.676	2	117.9860	7.159	2	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6]HH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[6]HH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	117.8830	0.000	1	117.8830	0.000	1	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]2H)(CC[5]O)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	N(CC[6a]2H)(CC[5]O)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	118.0395	1.214	2	118.0395	1.474	2	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]2Co)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]2Co)(NCH)(O)	H(NCC)	118.8940	0.000	1	118.8940	0.000	1	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	H(NCC)	118.9123	0.699	4	118.9123	0.489	4	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NCH)(O)	H(NCC)	118.5062	3.235	11	118.5062	10.466	11	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[6a]C[5]2)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[6a]C[5]2)(NCH)(O)	H(NCC)	121.5180	0.000	1	121.5180	0.000	1	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]N[5,6]C[5]H)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]N[5,6]C[5]H)(NCH)(O)	H(NCC)	117.9680	0.000	1	117.9680	0.000	1	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[3x5,6]N[5]H)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[3x5,6]N[5]H)(NCH)(O)	H(NCC)	120.4743	0.964	3	120.4743	0.929	3	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5,5,6]2H)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5,5,6]2H)(NCH)(O)	H(NCC)	118.6095	2.437	2	118.6095	5.941	2	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5,6a]N[5]C)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5,6a]N[5]C)(NCH)(O)	H(NCC)	119.9740	0.000	1	119.9740	0.000	1	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	119.8383	1.521	10	119.8383	2.312	10	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2H)(NCH)(O)	H(NCC)	119.1053	0.405	3	119.1053	0.164	3	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2O)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2O)(NCH)(O)	H(NCC)	111.6110	0.000	1	111.6110	0.000	1	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2S)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2S)(NCH)(O)	H(NCC)	117.2000	0.000	1	117.2000	0.000	1	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NCH)(O)	H(NCC)	120.7610	0.206	2	120.7610	0.043	2	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NCH)(O)	H(NCC)	117.4050	0.000	1	117.4050	0.000	1	118.9756	4.177	63	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[5]-4:N-3:S-1:	N-3:	N(CC[6a]CH)(CC[5]S)(H)	C(C[5]C[5]N[5]H)(NCH)(S)	H(NCC)	N(CC[6a]CH)(CC[5]S)(H)	C(C[5]C[5]N[5]H)(NCH)(S)	H(NCC)	119.4640	0.000	1	119.4640	0.000	1	119.4640	0.000	1	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6,6]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[6,6]O)(H)	C(C[6,6]C[6,6]C[6]2)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[6,6]O)(H)	C(C[6,6]C[6,6]C[6]2)(NCH)(O)	H(NCC)	119.1640	0.000	1	119.1640	0.000	1	119.1640	0.000	1	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[5]HH)(CC[6]O)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	N(CC[5]HH)(CC[6]O)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	118.4935	0.054	2	118.4935	0.003	2	119.1330	0.617	22	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]HH)(CC[6]O)(H)	C(C[6]C[6]2N)(NCH)(O)	H(NCC)	N(CC[6]HH)(CC[6]O)(H)	C(C[6]C[6]2N)(NCH)(O)	H(NCC)	118.0203	0.807	3	118.0203	0.652	3	119.1330	0.617	22	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6a]2H)(CC[6]O)(H)	C(C[6]C[6]O[6]H)(NCH)(O)	H(NCC)	N(CC[6a]2H)(CC[6]O)(H)	C(C[6]C[6]O[6]H)(NCH)(O)	H(NCC)	120.0830	0.000	1	120.0830	0.000	1	119.1330	0.617	22	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6a]3)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	N(CC[6a]3)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	119.0870	0.000	1	119.0870	0.000	1	119.1330	0.617	22	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[6]O)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[6]O)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	118.3455	0.342	2	118.3455	0.117	2	119.1330	0.617	22	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	119.4798	0.422	5	119.4798	0.178	5	119.1330	0.617	22	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6,6]C[6]C)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6,6]C[6]C)(NCH)(O)	H(NCC)	119.5523	0.678	3	119.5523	0.460	3	119.1330	0.617	22	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]2C)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]2C)(NCH)(O)	H(NCC)	119.6060	0.000	1	119.6060	0.000	1	119.1330	0.617	22	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]2H)(NCH)(O)	H(NCC)	119.3010	0.107	2	119.3010	0.012	2	119.1330	0.617	22	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	N(CC[6a]HH)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	H(NCC)	119.8760	0.843	2	119.8760	0.710	2	119.1330	0.617	22	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C[6]-4:N-3:S-1:	N-3:	N(CC[6a]2H)(CC[6]S)(H)	C(C[6]C[6]N[6]H)(NCH)(S)	H(NCC)	N(CC[6a]2H)(CC[6]S)(H)	C(C[6]C[6]N[6]H)(NCH)(S)	H(NCC)	113.2350	0.000	1	113.2350	0.000	1	113.2350	0.000	1	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	N-4:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NFeCH)(NCH)(O)	H(NCC)	N(CC3)(CNO)(H)	C(NFeCH)(NCH)(O)	H(NCC)	118.0900	0.000	1	118.0900	0.000	1	118.0900	0.000	1	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	P-4:N-3:O-1:	N-3:	N(CCCH)(COP)(H)	C(PC[6a]2O)(NCH)(O)	H(NCC)	N(CCCH)(COP)(H)	C(PC[6a]2O)(NCH)(O)	H(NCC)	117.5555	0.332	2	117.5555	0.110	2	117.5555	0.110	2	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	P-4:N-3:S-1:	N-3:	N(CCCH)(CPS)(H)	C(PC[6a]2S)(NCH)(S)	H(NCC)	N(CCCH)(CPS)(H)	C(PC[6a]2S)(NCH)(S)	H(NCC)	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[3]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[3]C[3]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[3]H)(O)	H(NC[3]C)	N(C[3]C[3]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[3]H)(O)	H(NC[3]C)	119.4235	2.924	17	119.4235	8.551	17	119.4235	8.551	17	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[4]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[4]C[4,5]C[4]H)(CCO)(H)	C(CC[6a]HH)(NC[4]H)(O)	H(NC[4]C)	N(C[4]C[4,5]C[4]H)(CCO)(H)	C(CC[6a]HH)(NC[4]H)(O)	H(NC[4]C)	119.6770	0.000	1	119.6770	0.000	1	119.0580	0.478	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[4]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[6]HN)(NC[4]H)(O)	H(NC[4]C)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[6]HN)(NC[4]H)(O)	H(NC[4]C)	118.2410	0.000	1	118.2410	0.000	1	119.0580	0.478	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[4]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[6a]HN)(NC[4]H)(O)	H(NC[4]C)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[6a]HN)(NC[4]H)(O)	H(NC[4]C)	118.7570	0.202	2	118.7570	0.041	2	119.0580	0.478	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[4]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CN[5a]HH)(NC[4]H)(O)	H(NC[4]C)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CN[5a]HH)(NC[4]H)(O)	H(NC[4]C)	119.8580	0.000	1	119.8580	0.000	1	119.0580	0.478	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[4]-4:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(C[4]C[4]2C)(CC[4]O)(H)	C(C[4]C[4]2N)(NC[4]H)(O)	H(NC[4]C)	N(C[4]C[4]2C)(CC[4]O)(H)	C(C[4]C[4]2N)(NC[4]H)(O)	H(NC[4]C)	120.3834	1.415	5	120.3834	2.002	5	119.3054	1.916	12	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[4]-4:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(C[4]C[4]2H)(CC[4]O)(H)	C(C[4]C[4]2H)(NC[4]H)(O)	H(NC[4]C)	N(C[4]C[4]2H)(CC[4]O)(H)	C(C[4]C[4]2H)(NC[4]H)(O)	H(NC[4]C)	118.8165	0.235	2	118.8165	0.055	2	119.3054	1.916	12	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[4]-4:C-3:H-1:	C[4]-4:N-3:O-1:	N-3:	N(C[4]C[4]2H)(CC[4]O)(H)	C(C[4]C[4]N[4]H)(NC[4]H)(O)	H(NC[4]C)	N(C[4]C[4]2H)(CC[4]O)(H)	C(C[4]C[4]N[4]H)(NC[4]H)(O)	H(NC[4]C)	118.4230	0.842	5	118.4230	0.708	5	119.3054	1.916	12	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[4]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[4]C[4]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[4]H)(O)	H(NC[4]C)	N(C[4]C[4]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[4]H)(O)	H(NC[4]C)	120.3860	2.651	3	120.3860	7.029	3	120.3860	7.029	3	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5]C[5]2H)(CCO)(H)	C(CC[6a]3)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CCO)(H)	C(CC[6a]3)(NC[5]H)(O)	H(NC[5]C)	118.4675	0.871	4	118.4675	0.758	4	118.3260	0.669	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[5]C[5]2H)(CCO)(H)	C(CC[6a]HO)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CCO)(H)	C(CC[6a]HO)(NC[5]H)(O)	H(NC[5]C)	117.7600	0.000	1	117.7600	0.000	1	118.3260	0.669	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[5]C[5]2Fe)(CC[3]O)(H)	C(C[3]C[3]2H)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2Fe)(CC[3]O)(H)	C(C[3]C[3]2H)(NC[5]H)(O)	H(NC[5]C)	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[5]C[5]2C)(CC[5]O)(H)	C(C[5]C[5]2N)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2C)(CC[5]O)(H)	C(C[5]C[5]2N)(NC[5]H)(O)	H(NC[5]C)	119.4465	0.527	14	119.4465	0.278	14	119.0929	0.632	26	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[5]C[5]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[5]H)(O)	H(NC[5]C)	118.8130	1.912	3	118.8130	3.656	3	119.0929	0.632	26	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[5]C[5]2H)(CC[5]O)(H)	C(C[5]C[5]2H)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]2H)(CC[5]O)(H)	C(C[5]C[5]2H)(NC[5]H)(O)	H(NC[5]C)	118.6362	0.357	9	118.6362	0.127	9	119.0929	0.632	26	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[5]-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[5]C[5]O[5]C)(CC[6]O)(H)	C(C[6]C[6]2H)(NC[5]H)(O)	H(NC[5]C)	N(C[5]C[5]O[5]C)(CC[6]O)(H)	C(C[6]C[6]2H)(NC[5]H)(O)	H(NC[5]C)	119.5170	0.288	2	119.5170	0.083	2	119.5170	0.083	2	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-4:N-3:O-1:	N-3:	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	C(C[6,6]C[3x6]2N)(NC[6,6]H)(O)	H(NC[6,6]C)	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	C(C[6,6]C[3x6]2N)(NC[6,6]H)(O)	H(NC[6,6]C)	118.4254	0.878	8	118.4254	0.771	8	118.4254	0.771	8	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(CC[6]HH)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(CC[6]HH)(NC[6]H)(O)	H(NC[6]C)	113.3170	0.000	1	113.3170	0.000	1	117.7392	2.792	17	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CC[5,6]HO)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CC[5,6]HO)(NC[6]H)(O)	H(NC[6]C)	117.6660	0.000	1	117.6660	0.000	1	117.7392	2.792	17	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CC[5]CH)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CC[5]CH)(NC[6]H)(O)	H(NC[6]C)	119.4260	0.000	1	119.4260	0.000	1	117.7392	2.792	17	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CC[5]HH)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CC[5]HH)(NC[6]H)(O)	H(NC[6]C)	116.3820	0.454	2	116.3820	0.206	2	117.7392	2.792	17	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CC[6]HN)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6]HN)(NC[6]H)(O)	H(NC[6]C)	118.8130	0.000	1	118.8130	0.000	1	117.7392	2.792	17	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]3)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]3)(NC[6]H)(O)	H(NC[6]C)	117.8615	0.392	2	117.8615	0.154	2	117.7392	2.792	17	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HH)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HH)(NC[6]H)(O)	H(NC[6]C)	119.1860	0.000	1	119.1860	0.000	1	117.7392	2.792	17	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HN)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HN)(NC[6]H)(O)	H(NC[6]C)	118.1035	1.653	6	118.1035	2.734	6	117.7392	2.792	17	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HO)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HO)(NC[6]H)(O)	H(NC[6]C)	118.4230	0.000	1	118.4230	0.000	1	117.7392	2.792	17	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CCO)(H)	C(CN[6a]CC)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CCO)(H)	C(CN[6a]CC)(NC[6]H)(O)	H(NC[6]C)	117.6270	0.000	1	117.6270	0.000	1	117.7392	2.792	17	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[3,4,5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NC[6]H)(O)	H(NC[6]C)	117.8900	2.094	5	117.8900	4.387	5	117.8900	4.387	5	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(C[6]C[6,6a]2H)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6,6a]2H)(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6]H)(O)	H(NC[6]C)	115.7210	0.000	1	115.7210	0.000	1	117.5630	6.786	2	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5,6]O)(H)	C(C[5,6]C[5a,6]N[5,6]C[5])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5,6]O)(H)	C(C[5,6]C[5a,6]N[5,6]C[5])(NC[6]H)(O)	H(NC[6]C)	119.4050	0.000	1	119.4050	0.000	1	117.5630	6.786	2	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(CC[5]H)(H)	C(C[5]C[5]2Fe)(NC[6]H)(H)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]H)(H)	C(C[5]C[5]2Fe)(NC[6]H)(H)	H(NC[6]C)	116.2410	0.000	1	116.2410	0.000	1	116.2410	0.000	1	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	H(NC[6]C)	118.8250	1.174	3	118.8250	1.377	3	118.2853	4.137	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5,6]N[5]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5,6]N[5]H)(NC[6]H)(O)	H(NC[6]C)	115.8040	0.000	1	115.8040	0.000	1	118.2853	4.137	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5,6a]C[5]N[5])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5,6a]C[5]N[5])(NC[6]H)(O)	H(NC[6]C)	119.1320	0.000	1	119.1320	0.000	1	118.2853	4.137	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NC[6]H)(O)	H(NC[6]C)	116.5065	2.255	2	116.5065	5.085	2	118.2853	4.137	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]N[5]C)(NC[6]H)(O)	H(NC[6]C)	121.9800	0.000	1	121.9800	0.000	1	118.2853	4.137	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	H(NC[6]C)	117.3250	0.364	3	117.3250	0.132	3	118.2853	4.137	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[6a]C[5]N[5])(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[6a]C[5]N[5])(NC[6]H)(O)	H(NC[6]C)	117.7630	0.000	1	117.7630	0.000	1	118.2853	4.137	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]N[5,6]C[5]C)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]N[5,6]C[5]C)(NC[6]H)(O)	H(NC[6]C)	121.5670	0.000	1	121.5670	0.000	1	118.2853	4.137	13	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[6]H)(O)	H(NC[6]C)	117.0315	0.122	2	117.0315	0.015	2	118.2379	2.281	33	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6]C[6]2C)(CC[6]O)(H)	C(C[6]C[6]2N)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2C)(CC[6]O)(H)	C(C[6]C[6]2N)(NC[6]H)(O)	H(NC[6]C)	117.5632	1.916	5	117.5632	3.671	5	118.2379	2.281	33	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[5a,6]C[6,6]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[5a,6]C[6,6]H)(NC[6]H)(O)	H(NC[6]C)	117.5870	0.000	1	117.5870	0.000	1	118.2379	2.281	33	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	H(NC[6]C)	116.9785	1.559	2	116.9785	2.431	2	118.2379	2.281	33	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6]2H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6]2H)(NC[6]H)(O)	H(NC[6]C)	118.6305	1.441	22	118.6305	2.075	22	118.2379	2.281	33	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6]2N)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6]O)(H)	C(C[6]C[6]2N)(NC[6]H)(O)	H(NC[6]C)	118.5570	0.000	1	118.5570	0.000	1	118.2379	2.281	33	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(PNNO)(CCO)(H)	C(CCl2H)(NHP)(O)	H(NCP)	N(PNNO)(CCO)(H)	C(CCl2H)(NHP)(O)	H(NCP)	117.3620	0.716	2	117.3620	0.512	2	117.9981	6.188	18	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	H(NCP)	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	H(NCP)	118.4114	1.170	5	118.4114	1.369	5	117.9981	6.188	18	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(PNNO)(CCO)(H)	C(CClFF)(NHP)(O)	H(NCP)	N(PNNO)(CCO)(H)	C(CClFF)(NHP)(O)	H(NCP)	116.6230	1.750	4	116.6230	3.061	4	117.9981	6.188	18	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(PNNO)(CCO)(H)	C(CClHH)(NHP)(O)	H(NCP)	N(PNNO)(CCO)(H)	C(CClHH)(NHP)(O)	H(NCP)	116.1480	0.000	1	116.1480	0.000	1	117.9981	6.188	18	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(PNNO)(CCO)(H)	C(CF3)(NHP)(O)	H(NCP)	N(PNNO)(CCO)(H)	C(CF3)(NHP)(O)	H(NCP)	116.8445	2.060	2	116.8445	4.243	2	117.9981	6.188	18	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(PNOO)(CCO)(H)	C(CF3)(NHP)(O)	H(NCP)	N(PNOO)(CCO)(H)	C(CF3)(NHP)(O)	H(NCP)	125.5770	0.000	1	125.5770	0.000	1	117.9981	6.188	18	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(PN[6]2O)(CCO)(H)	C(CCl2H)(NHP)(O)	H(NCP)	N(PN[6]2O)(CCO)(H)	C(CCl2H)(NHP)(O)	H(NCP)	116.3270	0.000	1	116.3270	0.000	1	117.9981	6.188	18	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(PO3)(CCO)(H)	C(CCFF)(NHP)(O)	H(NCP)	N(PO3)(CCO)(H)	C(CCFF)(NHP)(O)	H(NCP)	117.7630	0.000	1	117.7630	0.000	1	117.9981	6.188	18	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	P-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(PO3)(CCO)(H)	C(CCl3)(NHP)(O)	H(NCP)	N(PO3)(CCO)(H)	C(CCl3)(NHP)(O)	H(NCP)	121.1890	0.000	1	121.1890	0.000	1	117.9981	6.188	18	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CC3)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CC3)(NHS)(O)	H(NCS)	120.7625	3.050	6	120.7625	9.302	6	119.9611	4.887	38	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CCCH)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CCCH)(NHS)(O)	H(NCS)	120.7727	1.421	3	120.7727	2.020	3	119.9611	4.887	38	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	H(NCS)	119.5643	1.539	8	119.5643	2.369	8	119.9611	4.887	38	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5]H)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5]H)(NHS)(O)	H(NCS)	117.3310	0.000	1	117.3310	0.000	1	119.9611	4.887	38	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CCl2H)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CCl2H)(NHS)(O)	H(NCS)	118.4990	0.760	3	118.4990	0.577	3	119.9611	4.887	38	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CClHH)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CClHH)(NHS)(O)	H(NCS)	123.8880	0.000	1	123.8880	0.000	1	119.9611	4.887	38	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CH3)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CH3)(NHS)(O)	H(NCS)	120.0705	2.230	15	120.0705	4.975	15	119.9611	4.887	38	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(SO3)(CCO)(H)	C(CH3)(NHS)(O)	H(NCS)	N(SO3)(CCO)(H)	C(CH3)(NHS)(O)	H(NCS)	117.3400	0.000	1	117.3400	0.000	1	119.9611	4.887	38	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:N-3:S-1:	N-3:	N(SO3)(CCS)(H)	C(CH3)(NHS)(S)	H(NCS)	N(SO3)(CCS)(H)	C(CH3)(NHS)(S)	H(NCS)	115.1740	0.000	1	115.1740	0.000	1	115.1740	0.000	1	118.7939	4.285	2580	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:N-2:	N-3:	N(CC3)(CCN)(H)	C(CH3)(NCH)(NS)	H(NCC)	N(CC3)(CCN)(H)	C(CH3)(NCH)(NS)	H(NCC)	113.5100	0.000	1	113.5100	0.000	1	114.1363	0.822	3	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:N-2:	N-3:	N(CC[6a]CH)(CCN)(H)	C(CC3)(NCH)(NC)	H(NCC)	N(CC[6a]CH)(CCN)(H)	C(CC3)(NCH)(NC)	H(NCC)	113.7230	0.000	1	113.7230	0.000	1	114.1363	0.822	3	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:N-2:	N-3:	N(CH3)(CCN)(H)	C(CClNN)(NCH)(NCl)	H(NCC)	N(CH3)(CCN)(H)	C(CClNN)(NCH)(NCl)	H(NCC)	115.1760	0.000	1	115.1760	0.000	1	114.1363	0.822	3	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CC3)(CCO)(H)	C(CCHH)(NCH)(OFe)	H(NCC)	N(CC3)(CCO)(H)	C(CCHH)(NCH)(OFe)	H(NCC)	117.1670	0.000	1	117.1670	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CC3)(CCO)(H)	C(CC[6a]CC)(NCH)(OAl)	H(NCC)	N(CC3)(CCO)(H)	C(CC[6a]CC)(NCH)(OAl)	H(NCC)	106.6700	0.000	1	106.6700	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(OFe)	H(NCC)	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(OFe)	H(NCC)	116.8590	0.000	1	116.8590	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(OTi)	H(NCC)	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(OTi)	H(NCC)	119.6910	0.000	1	119.6910	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CCHH)(CCO)(H)	C(CH3)(NCH)(OH)	H(NCC)	N(CCHH)(CCO)(H)	C(CH3)(NCH)(OH)	H(NCC)	118.2210	0.683	2	118.2210	0.467	2	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(OCd)	H(NCC)	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(OCd)	H(NCC)	120.7470	3.707	2	120.7470	13.739	2	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(OCo)	H(NCC)	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(OCo)	H(NCC)	125.1230	0.000	1	125.1230	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(OCu)	H(NCC)	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(OCu)	H(NCC)	122.2770	0.000	1	122.2770	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(ORe)	H(NCC)	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(ORe)	H(NCC)	118.8140	0.000	1	118.8140	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CCHH)(CCO)(H)	C(CN[5]2H)(NCH)(OCu)	H(NCC)	N(CCHH)(CCO)(H)	C(CN[5]2H)(NCH)(OCu)	H(NCC)	119.2470	0.000	1	119.2470	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CCHH)(CCO)(H)	C(CN[5]2H)(NCH)(ORe)	H(NCC)	N(CCHH)(CCO)(H)	C(CN[5]2H)(NCH)(ORe)	H(NCC)	120.2540	0.000	1	120.2540	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CC[6]HH)(CCO)(H)	C(CC[6a]3)(NCH)(OCu)	H(NCC)	N(CC[6]HH)(CCO)(H)	C(CC[6a]3)(NCH)(OCu)	H(NCC)	120.7920	0.000	1	120.7920	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(OTi)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(OTi)	H(NCC)	118.9500	0.000	1	118.9500	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CC[6a]HH)(CCO)(H)	C(CC[6]HH)(NCH)(OTi)	H(NCC)	N(CC[6a]HH)(CCO)(H)	C(CC[6]HH)(NCH)(OTi)	H(NCC)	117.9170	0.000	1	117.9170	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CH3)(CCO)(H)	C(CCHN)(NCH)(OCo)	H(NCC)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(OCo)	H(NCC)	119.2250	0.000	1	119.2250	0.000	1	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(CH3)(CCO)(H)	C(CCHN)(NCH)(ONi)	H(NCC)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(ONi)	H(NCC)	121.6043	2.475	3	121.6043	6.127	3	119.2868	14.067	20	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C-4:N-3:S-2:	N-3:	N(CCHH)(CCS)(H)	C(CCHH)(NCH)(SHg)	H(NCC)	N(CCHH)(CCS)(H)	C(CCHH)(NCH)(SHg)	H(NCC)	117.0090	0.332	2	117.0090	0.110	2	117.0090	0.110	2	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-2:	N-3:	N(CC[6]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(OCd)	H(NCC)	N(CC[6]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(OCd)	H(NCC)	115.2175	8.678	2	115.2175	75.313	2	117.5520	54.006	3	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	C[5]-4:N-3:O-2:	N-3:	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(OPd)	H(NCC)	N(CC[6a]HH)(CC[5]O)(H)	C(C[5]C[5]2Fe)(NCH)(OPd)	H(NCC)	122.2210	0.000	1	122.2210	0.000	1	117.5520	54.006	3	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	P-4:N-3:N-2:	N-3:	N(CCCH)(CNP)(H)	C(PC[6]2S)(NCH)(NC)	H(NCC)	N(CCCH)(CNP)(H)	C(PC[6]2S)(NCH)(NC)	H(NCC)	110.4980	0.000	1	110.4980	0.000	1	114.6060	11.789	4	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	P-4:N-3:N-2:	N-3:	N(CCCH)(CNP)(H)	C(PC[6]2Se)(NCH)(NC)	H(NCC)	N(CCCH)(CNP)(H)	C(PC[6]2Se)(NCH)(NC)	H(NCC)	113.0480	0.000	1	113.0480	0.000	1	114.6060	11.789	4	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	P-4:N-3:N-2:	N-3:	N(CCCH)(CNP)(H)	C(PC[6a]2Cu)(NCH)(NC)	H(NCC)	N(CCCH)(CNP)(H)	C(PC[6a]2Cu)(NCH)(NC)	H(NCC)	117.4390	0.110	2	117.4390	0.012	2	114.6060	11.789	4	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	S-4:N-3:N-2:	N-3:	N(CCCH)(CNS)(H)	C(SCu3)(NCH)(NP)	H(NCC)	N(CCCH)(CNS)(H)	C(SCu3)(NCH)(NP)	H(NCC)	117.9808	0.261	6	117.9808	0.068	6	117.9808	0.068	6	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C[5]-4:C-3:H-1:	C[6]-4:N-3:O-2:	N-3:	N(C[5]C[5]2H)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[5]H)(OMg)	H(NC[5]C)	N(C[5]C[5]2H)(CC[6]O)(H)	C(C[6]C[6]N[6]H)(NC[5]H)(OMg)	H(NC[5]C)	118.0205	0.237	2	118.0205	0.056	2	118.0205	0.056	2	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C[6]-4:C-3:H-1:	P-4:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CNP)(H)	C(PC[6]2B)(NC[6]H)(NC[6a])	H(NC[6]C)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6]2B)(NC[6]H)(NC[6a])	H(NC[6]C)	115.8790	0.000	1	115.8790	0.000	1	115.6940	1.403	7	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C[6]-4:C-3:H-1:	P-4:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CNP)(H)	C(PC[6]2Se)(NC[6]H)(NC[6])	H(NC[6]C)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6]2Se)(NC[6]H)(NC[6])	H(NC[6]C)	113.7550	0.000	1	113.7550	0.000	1	115.6940	1.403	7	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C[6]-4:C-3:H-1:	P-4:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CNP)(H)	C(PC[6a]2B)(NC[6]H)(NC[6])	H(NC[6]C)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6a]2B)(NC[6]H)(NC[6])	H(NC[6]C)	116.9080	0.000	1	116.9080	0.000	1	115.6940	1.403	7	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C[6]-4:C-3:H-1:	P-4:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CNP)(H)	C(PC[6a]2S)(NC[6]H)(NC[6])	H(NC[6]C)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6a]2S)(NC[6]H)(NC[6])	H(NC[6]C)	114.9520	0.000	2	114.9520	0.000	2	115.6940	1.403	7	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C[6]-4:C-3:H-1:	P-4:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CNP)(H)	C(PC[6a]2Se)(NC[6]H)(NC[6])	H(NC[6]C)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6a]2Se)(NC[6]H)(NC[6])	H(NC[6]C)	116.7060	0.000	2	116.7060	0.000	2	115.6940	1.403	7	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	P-4:C-3:H-1:	C-4:N-3:O-2:	N-3:	N(PC[6a]2Mo)(CCO)(H)	C(CH3)(NHP)(OMo)	H(NCP)	N(PC[6a]2Mo)(CCO)(H)	C(CH3)(NHP)(OMo)	H(NCP)	121.0000	0.000	1	121.0000	0.000	1	121.0000	0.000	1	117.6672	12.525	48	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CC3)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	N(CC3)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	113.3270	0.000	1	113.3270	0.000	1	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CC3)(CCC)(H)	C(CH3)(CHP)(NCH)	H(NCC)	N(CC3)(CCC)(H)	C(CH3)(CHP)(NCH)	H(NCC)	115.1965	0.182	2	115.1965	0.033	2	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCCH)(CCC)(H)	C(CCHH)(CCH)(NCH)	H(NCC)	N(CCCH)(CCC)(H)	C(CCHH)(CCH)(NCH)	H(NCC)	120.5610	0.000	1	120.5610	0.000	1	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCCH)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	N(CCCH)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	115.8843	0.494	4	115.8843	0.244	4	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCHH)(CCC)(H)	C(CCHH)(CCH)(NCH)	H(NCC)	N(CCHH)(CCC)(H)	C(CCHH)(CCH)(NCH)	H(NCC)	116.5920	1.068	3	116.5920	1.140	3	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCHH)(CCC)(H)	C(CH3)(CCC)(NCH)	H(NCC)	N(CCHH)(CCC)(H)	C(CH3)(CCC)(NCH)	H(NCC)	116.0420	0.752	3	116.0420	0.565	3	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCHH)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	N(CCHH)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	115.8487	1.629	20	115.8487	2.654	20	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CCHH)(CCC)(H)	C(CH3)(CCS)(NCH)	H(NCC)	N(CCHH)(CCC)(H)	C(CH3)(CCS)(NCH)	H(NCC)	115.7505	0.062	2	115.7505	0.004	2	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CC[6a]2H)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	N(CC[6a]2H)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	118.7770	0.000	1	118.7770	0.000	1	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CC[6a]CH)(CCC)(H)	C(CCCH)(CCH)(NCH)	H(NCC)	N(CC[6a]CH)(CCC)(H)	C(CCCH)(CCH)(NCH)	H(NCC)	117.3680	0.000	1	117.3680	0.000	1	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CC[6a]CH)(CCC)(H)	C(CH3)(CCC)(NCH)	H(NCC)	N(CC[6a]CH)(CCC)(H)	C(CH3)(CCC)(NCH)	H(NCC)	116.7660	0.000	1	116.7660	0.000	1	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CC[6a]CH)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	N(CC[6a]CH)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	113.3800	3.947	2	113.3800	15.579	2	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CC[6a]HH)(CCC)(H)	C(CH3)(CCC)(NCH)	H(NCC)	N(CC[6a]HH)(CCC)(H)	C(CH3)(CCC)(NCH)	H(NCC)	118.1502	0.189	5	118.1502	0.036	5	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CC[6a]HH)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	N(CC[6a]HH)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	117.4703	1.049	6	117.4703	1.100	6	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:C-3:N-3:	N-3:	N(CH3)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	N(CH3)(CCC)(H)	C(CH3)(CCH)(NCH)	H(NCC)	116.7035	0.115	2	116.7035	0.013	2	116.3490	3.041	54	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(CCCH)(CCN)(H)	C(CCHH)(NPtH)(NCH)	H(NCC)	N(CCCH)(CCN)(H)	C(CCHH)(NPtH)(NCH)	H(NCC)	116.5340	0.262	2	116.5340	0.068	2	117.0403	5.734	9	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(CCCH)(CCN)(H)	C(CH3)(NCH)2	H(NCC)	N(CCCH)(CCN)(H)	C(CH3)(NCH)2	H(NCC)	116.3995	0.155	2	116.3995	0.024	2	117.0403	5.734	9	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(CCHH)(CCN)(H)	C(CCHH)(NPtH)(NCH)	H(NCC)	N(CCHH)(CCN)(H)	C(CCHH)(NPtH)(NCH)	H(NCC)	117.0875	1.006	2	117.0875	1.012	2	117.0403	5.734	9	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(CCHH)(CCN)(H)	C(CH3)(NCC)(NCH)	H(NCC)	N(CCHH)(CCN)(H)	C(CH3)(NCC)(NCH)	H(NCC)	122.7570	0.000	1	122.7570	0.000	1	117.0403	5.734	9	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(CC[6a]CH)(CCN)(H)	C(CC3)(NCH)2	H(NCC)	N(CC[6a]CH)(CCN)(H)	C(CC3)(NCH)2	H(NCC)	115.2820	2.137	2	115.2820	4.566	2	117.0403	5.734	9	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	P-4:N-3:N-3:	N-3:	N(CCCH)(CNP)(H)	C(PC[5]OW)(NCH)2	H(NCC)	N(CCCH)(CNP)(H)	C(PC[5]OW)(NCH)2	H(NCC)	114.3915	1.126	2	114.3915	1.269	2	115.1718	5.049	4	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C-4:C-3:H-1:	P-4:N-3:N-3:	N-3:	N(CCHH)(CNP)(H)	C(PC[6a]Se2)(NCH)(NHH)	H(NCC)	N(CCHH)(CNP)(H)	C(PC[6a]Se2)(NCH)(NHH)	H(NCC)	115.9520	3.383	2	115.9520	11.443	2	115.1718	5.049	4	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C[6]-4:C-3:H-1:	C-4:N-3:N-3:	N-3:	N(C[6]C[6]2H)(CCN)(H)	C(CC[6a]HH)(NC[6]Mg)(NC[6]H)	H(NC[6]C)	N(C[6]C[6]2H)(CCN)(H)	C(CC[6a]HH)(NC[6]Mg)(NC[6]H)	H(NC[6]C)	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C[6]-4:C-3:H-1:	C[5]-4:N-3:N-3:	N-3:	N(C[6]C[6]2H)(CC[5]N)(H)	C(C[5]C[5]2Fe)(NC[6]H)2	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]N)(H)	C(C[5]C[5]2Fe)(NC[6]H)2	H(NC[6]C)	116.8213	3.179	6	116.8213	10.106	6	116.8213	10.106	6	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:N-3:C-3:	N-3:	N(C[6]C[6]2H)(CC[6]C)(H)	C(C[6]C[6]2H)(NC[6]H)(CCH)	H(NC[6]C)	N(C[6]C[6]2H)(CC[6]C)(H)	C(C[6]C[6]2H)(NC[6]H)(CCH)	H(NC[6]C)	116.4885	0.200	2	116.4885	0.040	2	116.4885	0.040	2	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C[6]-4:C-3:H-1:	P-4:N-3:N-3:	N-3:	N(C[6]C[6]2H)(CNP)(H)	C(PC[5]OW)(NC[6]H)2	H(NC[6]C)	N(C[6]C[6]2H)(CNP)(H)	C(PC[5]OW)(NC[6]H)2	H(NC[6]C)	114.2895	0.838	2	114.2895	0.702	2	115.6098	3.625	5	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C[6]-4:C-3:H-1:	P-4:N-3:N-3:	N-3:	N(C[6]C[6]2H)(CNP)(H)	C(PC[6]2B)(NC[6]H)2	H(NC[6]C)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6]2B)(NC[6]H)2	H(NC[6]C)	115.4425	1.184	2	115.4425	1.403	2	115.6098	3.625	5	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:3:3:	3:	C[6]-4:C-3:H-1:	P-4:N-3:N-3:	N-3:	N(C[6]C[6]2H)(CNP)(H)	C(PC[6a]2Mo)(NC[6]Mo)(NC[6]H)	H(NC[6]C)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6a]2Mo)(NC[6]Mo)(NC[6]H)	H(NC[6]C)	118.5850	0.000	1	118.5850	0.000	1	115.6098	3.625	5	116.3553	3.767	81	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:N-3:	N-3:	N(CCCH)(CCC)(H)	C(CC[6a]PdH)(CC3)(NCH)	H(NCC)	N(CCCH)(CCC)(H)	C(CC[6a]PdH)(CC3)(NCH)	H(NCC)	116.0300	0.000	1	116.0300	0.000	1	116.2427	1.358	6	116.2427	1.358	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:N-3:	N-3:	N(CCHH)(CCC)(H)	C(CH3)2(NCH)	H(NCC)	N(CCHH)(CCC)(H)	C(CH3)2(NCH)	H(NCC)	114.0040	0.000	1	114.0040	0.000	1	116.2427	1.358	6	116.2427	1.358	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:N-3:	N-3:	N(CC[5x3,5x5,20x6]HH)(CCC)(H)	C(CH3)2(NCH)	H(NCC)	N(CC[5x3,5x5,20x6]HH)(CCC)(H)	C(CH3)2(NCH)	H(NCC)	116.7495	0.214	2	116.7495	0.046	2	116.2427	1.358	6	116.2427	1.358	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:N-3:	N-3:	N(CC[6a]HH)(CCC)(H)	C(CBHH)(CC3)(NCH)	H(NCC)	N(CC[6a]HH)(CCC)(H)	C(CBHH)(CC3)(NCH)	H(NCC)	116.6970	0.000	1	116.6970	0.000	1	116.2427	1.358	6	116.2427	1.358	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	4:3:1:	4:4:3:	3:	C-4:C-3:H-1:	C-4:C-4:N-3:	N-3:	N(CH3)(CCC)(H)	C(CCSW)(CH3)(NCH)	H(NCC)	N(CH3)(CCC)(H)	C(CCSW)(CH3)(NCH)	H(NCC)	117.2260	0.000	1	117.2260	0.000	1	116.2427	1.358	6	116.2427	1.358	6	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	5:3:1:	3:3:3:	3:	Si-5:C-3:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(SiLiCNN)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Li)(NSiH)	H(NSiC)	N(SiLiCNN)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Li)(NSiH)	H(NSiC)	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	116.4420	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	5:3:1:	3:4:4:	3:	Nb-5:C-3:H-1:	N-3:C-4:C-4:	N-3:	N(NbNNOO)(CCC)(H)	C(NNbH)(CC3)2	H(NNbC)	N(NbNNOO)(CCC)(H)	C(NNbH)(CC3)2	H(NNbC)	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:1:1:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CHO)(H)	C(NB[5x3,5x5,20x6]H)(H)(O)	H(NB[5x3,5x5,20x6]C)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CHO)(H)	C(NB[5x3,5x5,20x6]H)(H)(O)	H(NB[5x3,5x5,20x6]C)	117.0620	0.000	1	117.0620	0.000	1	116.3560	0.997	2	117.1837	2.554	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:1:1:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C(NB[5x3,5x5,20x6]H)(H)(O)	H(NB[5x3,5x5,20x6]C)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C(NB[5x3,5x5,20x6]H)(H)(O)	H(NB[5x3,5x5,20x6]C)	115.6500	0.000	1	115.6500	0.000	1	116.3560	0.997	2	117.1837	2.554	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:1:1:	3:	C[5x3,5x5,20x6]-6:C-3:H-1:	N-3:H-1:O-1:	N-3:	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C(NC[5x3,5x5,20x6]H)(H)(O)	H(NC[5x3,5x5,20x6]C)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C(NC[5x3,5x5,20x6]H)(H)(O)	H(NC[5x3,5x5,20x6]C)	118.8390	0.000	1	118.8390	0.000	1	118.8390	0.000	1	117.1837	2.554	3	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:3:1:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	N-3:C[6a]-3:O-1:	N-3:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]O)(H)	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	H(NB[5x3,5x5,20x6]C)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]O)(H)	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	H(NB[5x3,5x5,20x6]C)	116.1180	1.575	2	116.1180	2.482	2	117.0974	4.346	9	117.0974	4.346	9	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:3:1:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	N-3:C[6a]-3:O-1:	N-3:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]O)(H)	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	H(NB[5x3,5x5,20x6]C)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CC[6a]O)(H)	C(NB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(O)	H(NB[5x3,5x5,20x6]C)	117.3773	2.229	7	117.3773	4.970	7	117.0974	4.346	9	117.0974	4.346	9	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:1:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CH3)(O)	H(NB[5x3,5x5,20x6]C)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CH3)(O)	H(NB[5x3,5x5,20x6]C)	115.8628	0.870	6	115.8628	0.757	6	115.0879	6.787	9	115.0879	6.787	9	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:1:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CC[6a]HH)(O)	H(NB[5x3,5x5,20x6]C)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CC[6a]HH)(O)	H(NB[5x3,5x5,20x6]C)	108.3970	0.000	1	108.3970	0.000	1	115.0879	6.787	9	115.0879	6.787	9	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:1:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CH3)(O)	H(NB[5x3,5x5,20x6]C)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CH3)(O)	H(NB[5x3,5x5,20x6]C)	116.1085	0.243	2	116.1085	0.059	2	115.0879	6.787	9	115.0879	6.787	9	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:2:	3:	B[3x3,3x5,12x6]-6:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCO)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	H(NB[3x3,3x5,12x6]C)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCO)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	H(NB[3x3,3x5,12x6]C)	115.4530	0.000	1	115.4530	0.000	1	115.8787	0.715	4	115.4390	0.885	12	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:2:	3:	B[3x3,3x5,12x6]-6:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCO)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	H(NB[3x3,3x5,12x6]C)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCO)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	H(NB[3x3,3x5,12x6]C)	116.0207	0.976	3	116.0207	0.952	3	115.8787	0.715	4	115.4390	0.885	12	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:2:	3:	B[3x3,3x5,12x6]-6:C-3:H-1:	N-3:C-4:S-2:	N-3:	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCS)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(SC)	H(NB[3x3,3x5,12x6]C)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCS)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(SC)	H(NB[3x3,3x5,12x6]C)	115.3790	0.000	1	115.3790	0.000	1	115.3790	0.000	1	115.4390	0.885	12	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:2:	3:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CCCH)(ON)	H(NB[5x3,4,9x5,6,6]C)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CCCH)(ON)	H(NB[5x3,4,9x5,6,6]C)	114.3050	0.000	1	114.3050	0.000	1	114.8235	0.113	6	115.4390	0.885	12	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:2:	3:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	H(NB[5x3,4,9x5,6,6]C)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	H(NB[5x3,4,9x5,6,6]C)	114.8640	0.231	4	114.8640	0.053	4	114.8235	0.113	6	115.4390	0.885	12	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:2:	3:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CH3)(ON)	H(NB[5x3,4,9x5,6,6]C)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CH3)(ON)	H(NB[5x3,4,9x5,6,6]C)	115.1800	0.000	1	115.1800	0.000	1	114.8235	0.113	6	115.4390	0.885	12	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:2:	3:	B[5x3,5x5,20x6]-6:C-3:H-1:	N-3:C-4:O-2:	N-3:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CH3)(OPd)	H(NB[5x3,5x5,20x6]C)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CH3)(OPd)	H(NB[5x3,5x5,20x6]C)	117.4330	0.000	1	117.4330	0.000	1	117.4330	0.000	1	115.4390	0.885	12	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:3:	3:	B[3x3,3x5,12x6]-6:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CH3)(NCC)	H(NB[3x3,3x5,12x6]C)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CH3)(NCC)	H(NB[3x3,3x5,12x6]C)	115.0060	0.000	1	115.0060	0.000	1	112.8240	19.547	3	114.1964	8.387	7	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:3:	3:	B[3x3,3x5,12x6]-6:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CH3)(NCH)	H(NB[3x3,3x5,12x6]C)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CH3)(NCH)	H(NB[3x3,3x5,12x6]C)	107.7360	0.000	1	107.7360	0.000	1	112.8240	19.547	3	114.1964	8.387	7	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:3:	3:	B[3x3,3x5,12x6]-6:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Ni)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(NNiC)	H(NB[3x3,3x5,12x6]C)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Ni)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(NNiC)	H(NB[3x3,3x5,12x6]C)	115.7300	0.000	1	115.7300	0.000	1	112.8240	19.547	3	114.1964	8.387	7	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP2_SP-NON_SP2	N	C	H	6:3:1:	3:4:3:	3:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	N-3:C-4:N-3:	N-3:	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCN)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	H(NB[5x3,4,9x5,6,6]C)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCN)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	H(NB[5x3,4,9x5,6,6]C)	115.2258	0.668	4	115.2258	0.446	4	115.2258	0.446	4	114.1964	8.387	7	118.5580	7.586	35511	118.5580	7.586	35511
956	930	951	0:SP3_SP-NON_SP2	N	C	H	2:3:1:	3:2:1:	3:	O-2:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(OC[6])(COO)(H)	C(NHO)(OC)(O)	H(NCO)	N(OC[6])(COO)(H)	C(NHO)(OC)(O)	H(NCO)	119.4323	0.703	3	119.4323	0.494	3	119.4323	0.494	3	119.4323	0.494	3	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[6])(CNS)(H)	C(NCH)(NHN)(S)	H(NCN)	N(NC[6])(CNS)(H)	C(NCH)(NHN)(S)	H(NCN)	118.0505	0.573	2	118.0505	0.329	2	116.9788	2.383	4	116.9788	2.383	4	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	2:3:1:	3:3:1:	3:	N-2:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	115.9070	1.492	2	115.9070	2.226	2	116.9788	2.383	4	116.9788	2.383	4	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	2:3:2:	3:	C-3:H-1:H-1:	N-2:N-3:N-2:	N-3:	N(CNN)(H)2	C(NC[6a])(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NC[6a])(NHH)(NC)	H(NCH)	117.1851	3.685	8	117.1851	13.582	8	117.1851	13.582	8	117.1851	13.582	8	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	N-2:C-3:N-3:	N-3:	N(CCN)(H)2	C(NC[6])(CCH)(NHH)	H(NCH)	N(CCN)(H)2	C(NC[6])(CCH)(NHH)	H(NCH)	118.9865	0.613	2	118.9865	0.376	2	118.9865	0.376	2	118.6032	2.159	6	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	N-2:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[5a])(NHH)2	H(NCH)	N(CNN)(H)2	C(NC[5a])(NHH)2	H(NCH)	118.7495	1.589	2	118.7495	2.525	2	118.4115	3.326	4	118.6032	2.159	6	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	2:3:3:	3:	C-3:H-1:H-1:	N-2:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[6a])(NHH)2	H(NCH)	N(CNN)(H)2	C(NC[6a])(NHH)2	H(NCH)	118.0735	2.645	2	118.0735	6.998	2	118.4115	3.326	4	118.6032	2.159	6	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	2:4:3:	3:	C-3:H-1:H-1:	N-2:C-4:N-3:	N-3:	N(CCN)(H)2	C(NC[6a])(CC3)(NHH)	H(NCH)	N(CCN)(H)2	C(NC[6a])(CC3)(NHH)	H(NCH)	109.0330	0.081	2	109.0330	0.006	2	109.0330	0.006	2	109.0330	0.006	2	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:2:1:	3:	C-3:H-1:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(H)2	C(NHH)(OC)(O)	H(NCH)	N(COO)(H)2	C(NHH)(OC)(O)	H(NCH)	118.8770	4.088	8	118.8770	16.709	8	118.8770	16.709	8	118.8770	16.709	8	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NH)(NN)	H(NCH)	N(CNN)(H)2	C(NHH)(NH)(NN)	H(NCH)	116.8530	1.824	2	116.8530	3.328	2	114.7393	16.090	6	114.7303	11.511	14	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NH)2	H(NCH)	N(CNN)(H)2	C(NHH)(NH)2	H(NCH)	117.5930	1.293	2	117.5930	1.671	2	114.7393	16.090	6	114.7303	11.511	14	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:N-2:N-2:	N-3:	N(CNN)(H)2	C(NHH)(NNi)(NC)	H(NCH)	N(CNN)(H)2	C(NHH)(NNi)(NC)	H(NCH)	109.7720	0.939	2	109.7720	0.882	2	114.7393	16.090	6	114.7303	11.511	14	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:O-2:N-2:	N-3:	N(CNO)(H)2	C(NHH)(OFe)(NN)	H(NCH)	N(CNO)(H)2	C(NHH)(OFe)(NN)	H(NCH)	115.9835	0.643	2	115.9835	0.413	2	115.9977	0.203	4	114.7303	11.511	14	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:O-2:N-2:	N-3:	N(CNO)(H)2	C(NHH)(ONi)(NN)	H(NCH)	N(CNO)(H)2	C(NHH)(ONi)(NN)	H(NCH)	116.0120	0.441	2	116.0120	0.195	2	115.9977	0.203	4	114.7303	11.511	14	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SCu)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SCu)(NN)	H(NCH)	109.7610	0.157	2	109.7610	0.025	2	113.4493	18.531	4	114.7303	11.511	14	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:2:2:	3:	C-3:H-1:H-1:	N-3:S-2:N-2:	N-3:	N(CNS)(H)2	C(NHH)(SNi)(NN)	H(NCH)	N(CNS)(H)2	C(NHH)(SNi)(NN)	H(NCH)	117.1375	1.076	2	117.1375	1.157	2	113.4493	18.531	4	114.7303	11.511	14	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:2:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-2:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a])(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a])(NHH)	H(NCH)	119.8570	1.608	2	119.8570	2.586	2	119.8570	2.586	2	119.8570	2.586	2	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:H-1:	N-3:	N(CCH)(H)2	C(CC[6a]C)(NHH)(H)	H(NCH)	N(CCH)(H)2	C(CC[6a]C)(NHH)(H)	H(NCH)	117.7550	2.621	2	117.7550	6.867	2	117.7550	6.867	2	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCC)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCC)(NHH)(O)	H(NCH)	117.3038	3.257	4	117.3038	10.610	4	117.3038	10.610	4	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-1:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(N)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(N)	H(NCH)	116.8265	0.108	2	116.8265	0.012	2	116.8265	0.012	2	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	H(NCH)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(O)	H(NCH)	119.3930	3.258	16	119.3930	10.614	16	119.3930	10.614	16	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:S-1:	N-3:	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	H(NCH)	N(CC[6a]S)(H)2	C(C[6a]C[6a]2)(NHH)(S)	H(NCH)	121.1275	3.434	2	121.1275	11.795	2	121.1275	11.795	2	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NCH)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NCH)(NHH)(O)	H(NCH)	116.7426	4.755	10	116.7426	22.607	10	117.0800	19.423	50	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NC[6a]2)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NC[6a]2)(NHH)(O)	H(NCH)	119.4646	3.604	10	119.4646	12.987	10	117.0800	19.423	50	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NC[6a]H)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NC[6a]H)(NHH)(O)	H(NCH)	116.8320	4.089	4	116.8320	16.724	4	117.0800	19.423	50	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NHH)(NHN)(O)	H(NCH)	N(CNO)(H)2	C(NHH)(NHN)(O)	H(NCH)	116.7412	3.618	12	116.7412	13.088	12	117.0800	19.423	50	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NHH)2(O)	H(NCH)	N(CNO)(H)2	C(NHH)2(O)	H(NCH)	115.6624	5.657	12	115.6624	32.001	12	117.0800	19.423	50	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(H)2	C(NN[6]C)(NHH)(O)	H(NCH)	N(CNO)(H)2	C(NN[6]C)(NHH)(O)	H(NCH)	117.8775	0.479	2	117.8775	0.229	2	117.0800	19.423	50	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NC[6a]H)(NHH)(S)	H(NCH)	N(CNS)(H)2	C(NC[6a]H)(NHH)(S)	H(NCH)	117.7410	0.365	2	117.7410	0.133	2	118.3453	3.464	12	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NHH)(NHN)(S)	H(NCH)	N(CNS)(H)2	C(NHH)(NHN)(S)	H(NCH)	119.0330	0.141	4	119.0330	0.020	4	118.3453	3.464	12	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:1:	3:	C-3:H-1:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(H)2	C(NHH)2(S)	H(NCH)	N(CNS)(H)2	C(NHH)2(S)	H(NCH)	118.0883	2.642	6	118.0883	6.978	6	118.3453	3.464	12	117.7848	14.881	88	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:C-2:	N-3:	N(CCC)(H)2	C(CCN)(NHH)(CN)	H(NCH)	N(CCC)(H)2	C(CCN)(NHH)(CN)	H(NCH)	114.2197	1.056	6	114.2197	1.114	6	114.2197	1.114	6	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:N-2:	N-3:	N(CCN)(H)2	C(CC[6a]O)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CC[6a]O)(NHH)(NO)	H(NCH)	116.7705	2.775	2	116.7705	7.703	2	116.1757	4.301	4	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:N-2:	N-3:	N(CCN)(H)2	C(CNN)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CNN)(NHH)(NO)	H(NCH)	115.5810	1.946	2	115.5810	3.787	2	116.1757	4.301	4	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C-3:N-3:S-2:	N-3:	N(CCS)(H)2	C(CCC)(NHH)(SC)	H(NCH)	N(CCS)(H)2	C(CCC)(NHH)(SC)	H(NCH)	114.2830	2.367	2	114.2830	5.605	2	114.2830	5.605	2	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[5]-3:N-3:C-2:	N-3:	N(CC[5]C)(H)2	C(C[5]C[5,6a]N[5])(NHH)(CN)	H(NCH)	N(CC[5]C)(H)2	C(C[5]C[5,6a]N[5])(NHH)(CN)	H(NCH)	115.8790	3.601	4	115.8790	12.964	4	115.8790	12.964	4	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:N-2:	N-3:	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NN)	H(NCH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NN)	H(NCH)	109.4025	0.713	2	109.4025	0.509	2	115.1043	23.854	6	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:N-2:	N-3:	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NO)	H(NCH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NO)	H(NCH)	117.9553	2.660	4	117.9553	7.075	4	115.1043	23.854	6	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-2:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]2)(NHH)(NO)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]2)(NHH)(NO)	H(NCH)	113.8865	3.900	2	113.8865	15.208	2	113.8865	15.208	2	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	H(NCH)	114.3000	3.182	2	114.3000	10.125	2	116.9729	22.937	28	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NH)	H(NCH)	119.3435	0.814	2	119.3435	0.662	2	116.9729	22.937	28	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NN)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NN)	H(NCH)	115.7670	2.502	2	115.7670	6.259	2	116.9729	22.937	28	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NO)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NO)	H(NCH)	117.6617	5.509	16	117.6617	30.354	16	116.9729	22.937	28	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NN)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NN)	H(NCH)	115.6387	4.478	6	115.6387	20.049	6	116.9729	22.937	28	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCC)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NCC)(NHH)(NC)	H(NCH)	117.9540	4.168	2	117.9540	17.370	2	115.8138	10.105	50	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCH)(NHH)(NH)	H(NCH)	N(CNN)(H)2	C(NCH)(NHH)(NH)	H(NCH)	112.2295	0.694	2	112.2295	0.481	2	115.8138	10.105	50	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NC[6a]H)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NC[6a]H)(NHH)(NC)	H(NCH)	113.7455	3.888	2	113.7455	15.120	2	115.8138	10.105	50	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NCuH)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NCuH)(NHH)(NC)	H(NCH)	117.0520	1.031	2	117.0520	1.063	2	115.8138	10.105	50	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NHH)2(NC)	H(NCH)	N(CNN)(H)2	C(NHH)2(NC)	H(NCH)	117.6715	1.543	12	117.6715	2.380	12	115.8138	10.105	50	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NHH)2(NH)	H(NCH)	N(CNN)(H)2	C(NHH)2(NH)	H(NCH)	116.4582	1.728	16	116.4582	2.985	16	115.8138	10.105	50	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NHH)2(NN)	H(NCH)	N(CNN)(H)2	C(NHH)2(NN)	H(NCH)	116.1827	5.456	4	116.1827	29.763	4	115.8138	10.105	50	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NIrH)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NIrH)(NHH)(NC)	H(NCH)	109.3550	1.071	2	109.3550	1.146	2	115.8138	10.105	50	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(H)2	C(NNiH)(NHH)(NC)	H(NCH)	N(CNN)(H)2	C(NNiH)(NHH)(NC)	H(NCH)	113.7374	3.519	8	113.7374	12.384	8	115.8138	10.105	50	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NCC)(NHH)(OZn)	H(NCH)	N(CNO)(H)2	C(NCC)(NHH)(OZn)	H(NCH)	109.6375	0.484	4	109.6375	0.234	4	115.0019	26.048	20	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)(NHN)(OMn)	H(NCH)	N(CNO)(H)2	C(NHH)(NHN)(OMn)	H(NCH)	109.6790	0.387	2	109.6790	0.150	2	115.0019	26.048	20	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(OCo)	H(NCH)	N(CNO)(H)2	C(NHH)2(OCo)	H(NCH)	118.1355	4.096	2	118.1355	16.779	2	115.0019	26.048	20	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(ONi)	H(NCH)	N(CNO)(H)2	C(NHH)2(ONi)	H(NCH)	116.1733	5.676	6	116.1733	32.219	6	115.0019	26.048	20	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:O-2:	N-3:	N(CNO)(H)2	C(NHH)2(OSn)	H(NCH)	N(CNO)(H)2	C(NHH)2(OSn)	H(NCH)	118.1365	3.394	6	118.1365	11.516	6	115.0019	26.048	20	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(H)2	C(NHH)2(SC)	H(NCH)	N(CNS)(H)2	C(NHH)2(SC)	H(NCH)	122.5530	4.407	2	122.5530	19.419	2	122.5530	19.419	2	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[5]-3:N-3:N-2:	N-3:	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)(NC)	H(NCH)	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)(NC)	H(NCH)	117.8960	2.599	2	117.8960	6.756	2	117.8960	6.756	2	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[5]-3:N-3:S-2:	N-3:	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SRu)	H(NCH)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SRu)	H(NCH)	118.2090	7.679	2	118.2090	58.970	2	118.2090	58.970	2	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[6]-3:N-3:N-2:	N-3:	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NC)	H(NCH)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NC)	H(NCH)	118.7155	5.713	2	118.7155	32.635	2	117.5480	21.810	4	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:2:	3:	C-3:H-1:H-1:	N[6]-3:N-3:N-2:	N-3:	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NO)	H(NCH)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)(NO)	H(NCH)	116.3805	5.229	2	116.3805	27.343	2	117.5480	21.810	4	116.0150	16.464	132	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[5a]-3:N-3:N-3:	N-3:	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NOU)	H(NCH)	N(CC[5a]N)(H)2	C(C[5a]C[5a]N[5a])(NHH)(NOU)	H(NCH)	113.9545	1.907	2	113.9545	3.637	2	113.9545	3.637	2	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NCdO)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NCdO)(NHH)	H(NCH)	115.4895	6.127	2	115.4895	37.541	2	116.4792	10.555	6	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NNiN)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NNiN)(NHH)	H(NCH)	118.1535	2.140	2	118.1535	4.581	2	116.4792	10.555	6	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6]-3:N-3:N-3:	N-3:	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NNiO)(NHH)	H(NCH)	N(CC[6]N)(H)2	C(C[6]C[6]N[6])(NNiO)(NHH)	H(NCH)	115.7945	1.466	2	115.7945	2.149	2	116.4792	10.555	6	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	H(NCH)	109.3950	1.165	2	109.3950	1.358	2	114.1133	15.338	6	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHS)(NHH)	H(NCH)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHS)(NHH)	H(NCH)	116.4725	1.688	4	116.4725	2.848	4	114.1133	15.338	6	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]Rh)(NHH)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]Rh)(NHH)	H(NCH)	116.1680	7.116	2	116.1680	50.642	2	117.1933	19.060	6	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	H(NCH)	117.3735	5.185	2	117.3735	26.886	2	117.1933	19.060	6	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	C[6a]-3:N-3:N-3:	N-3:	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	H(NCH)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	H(NCH)	118.0385	3.765	2	118.0385	14.178	2	117.1933	19.060	6	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:C-3:N-3:	N-3:	N(CCN)(H)2	C(NC[6]H)(CCH)(NHH)	H(NCH)	N(CCN)(H)2	C(NC[6]H)(CCH)(NHH)	H(NCH)	117.8180	1.767	6	117.8180	3.122	6	117.8180	3.122	6	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCC)(NHH)2	H(NCH)	N(CNN)(H)2	C(NCC)(NHH)2	H(NCH)	117.7445	0.969	2	117.7445	0.940	2	116.1210	14.061	74	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCC)2(NHH)	H(NCH)	N(CNN)(H)2	C(NCC)2(NHH)	H(NCH)	119.6710	1.517	2	119.6710	2.303	2	116.1210	14.061	74	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCH)(NHH)2	H(NCH)	N(CNN)(H)2	C(NCH)(NHH)2	H(NCH)	116.8685	2.928	16	116.8685	8.574	16	116.1210	14.061	74	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[6a]H)(NHH)2	H(NCH)	N(CNN)(H)2	C(NC[6a]H)(NHH)2	H(NCH)	118.9275	2.030	2	118.9275	4.121	2	116.1210	14.061	74	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NC[6a]Pt)(NC[6a]C)(NHH)	H(NCH)	N(CNN)(H)2	C(NC[6a]Pt)(NC[6a]C)(NHH)	H(NCH)	123.1410	6.487	2	123.1410	42.081	2	116.1210	14.061	74	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCoH)(NCH)(NHH)	H(NCH)	N(CNN)(H)2	C(NCoH)(NCH)(NHH)	H(NCH)	109.6690	0.878	4	109.6690	0.771	4	116.1210	14.061	74	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NCuC)(NHH)2	H(NCH)	N(CNN)(H)2	C(NCuC)(NHH)2	H(NCH)	119.3107	3.482	4	119.3107	12.126	4	116.1210	14.061	74	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NHH)(NHN)2	H(NCH)	N(CNN)(H)2	C(NHH)(NHN)2	H(NCH)	116.7545	4.355	2	116.7545	18.967	2	116.1210	14.061	74	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NHH)2(NHN)	H(NCH)	N(CNN)(H)2	C(NHH)2(NHN)	H(NCH)	115.8635	3.325	6	115.8635	11.055	6	116.1210	14.061	74	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NHH)3	H(NCH)	N(CNN)(H)2	C(NHH)3	H(NCH)	115.4806	3.207	32	115.4806	10.285	32	116.1210	14.061	74	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	3:3:3:	3:	C-3:H-1:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(H)2	C(NZnC)(NHH)2	H(NCH)	N(CNN)(H)2	C(NZnC)(NHH)2	H(NCH)	112.0525	2.872	2	112.0525	8.246	2	116.1210	14.061	74	116.1449	13.423	100	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCCN)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCCN)(NHH)(O)	H(NCH)	114.7718	7.422	6	114.7718	55.093	6	117.5024	65.513	20	117.9598	61.573	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCHH)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCHH)(NHH)(O)	H(NCH)	120.5160	8.827	8	120.5160	77.923	8	117.5024	65.513	20	117.9598	61.573	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CCHN)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CCHN)(NHH)(O)	H(NCH)	114.1975	9.059	4	114.1975	82.063	4	117.5024	65.513	20	117.9598	61.573	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(H)2	C(CHHN)(NHH)(O)	H(NCH)	N(CCO)(H)2	C(CHHN)(NHH)(O)	H(NCH)	120.2490	1.208	2	120.2490	1.459	2	117.5024	65.513	20	117.9598	61.573	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	4:3:1:	3:	C-3:H-1:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(H)2	C(C[5]C[5]N[5]H)(NHH)(O)	H(NCH)	N(CC[5]O)(H)2	C(C[5]C[5]N[5]H)(NHH)(O)	H(NCH)	122.5345	1.503	2	122.5345	2.258	2	122.5345	2.258	2	117.9598	61.573	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CCHH)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CCHH)(NHH)(NO)	H(NCH)	116.6722	1.094	6	116.6722	1.197	6	114.7428	13.624	8	110.6941	56.001	18	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:N-2:	N-3:	N(CCN)(H)2	C(CC[6a]C[3]C)(NHH)(NO)	H(NCH)	N(CCN)(H)2	C(CC[6a]C[3]C)(NHH)(NO)	H(NCH)	108.9545	0.209	2	108.9545	0.044	2	114.7428	13.624	8	110.6941	56.001	18	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CCHH)(NHH)(ONi)	H(NCH)	N(CCO)(H)2	C(CCHH)(NHH)(ONi)	H(NCH)	108.9795	0.319	4	108.9795	0.102	4	107.4551	68.956	10	110.6941	56.001	18	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CCHH)(NHH)(OSn)	H(NCH)	N(CCO)(H)2	C(CCHH)(NHH)(OSn)	H(NCH)	109.4883	0.034	4	109.4883	0.001	4	107.4551	68.956	10	110.6941	56.001	18	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	4:3:2:	3:	C-3:H-1:H-1:	C-4:N-3:O-2:	N-3:	N(CCO)(H)2	C(CHHN)(NHH)(ONi)	H(NCH)	N(CCO)(H)2	C(CHHN)(NHH)(ONi)	H(NCH)	100.3401	22.209	2	100.3401	493.222	2	107.4551	68.956	10	110.6941	56.001	18	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:1:1:	4:3:3:	3:	C-3:H-1:H-1:	P-4:N-3:N-3:	N-3:	N(CNP)(H)2	C(PC[6a]Se2)(NCH)(NHH)	H(NCH)	N(CNP)(H)2	C(PC[6a]Se2)(NCH)(NHH)	H(NCH)	117.2095	9.177	4	117.2095	84.210	4	117.2095	84.210	4	117.2095	84.210	4	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:N-2:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(NC)(H)	C(NHN)(OC)(O)	H(NCN)	N(COO)(NC)(H)	C(NHN)(OC)(O)	H(NCN)	119.2855	2.715	2	119.2855	7.369	2	119.2855	7.369	2	117.7801	6.034	7	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:O-2:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(OC)(H)	C(NHO)(OC)(O)	H(NCO)	N(COO)(OC)(H)	C(NHO)(OC)(O)	H(NCO)	118.7895	2.894	2	118.7895	8.376	2	117.1780	5.623	5	117.7801	6.034	7	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:O-2:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(OP)(H)	C(NHO)(OC)(O)	H(NCO)	N(COO)(OP)(H)	C(NHO)(OC)(O)	H(NCO)	116.0195	2.327	2	116.0195	5.415	2	117.1780	5.623	5	117.7801	6.034	7	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:2:1:	3:	C-3:O-2:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(OS)(H)	C(NHO)(OC)(O)	H(NCO)	N(COO)(OS)(H)	C(NHO)(OC)(O)	H(NCO)	116.2720	0.000	1	116.2720	0.000	1	117.1780	5.623	5	117.7801	6.034	7	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C-3:N-3:O-1:	N-3:	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	H(NCN)	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	H(NCN)	119.2220	0.000	1	119.2220	0.000	1	119.2220	0.000	1	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	116.6515	3.989	16	116.6515	15.910	16	117.2237	15.284	20	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[5])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	119.1760	3.478	3	119.1760	12.098	3	117.2237	15.284	20	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[5a])(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	120.5220	0.000	1	120.5220	0.000	1	117.2237	15.284	20	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	H(NCN)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	H(NCN)	122.4130	0.000	1	122.4130	0.000	1	122.4130	0.000	1	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	H(NCN)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	H(NCN)	117.5778	1.922	6	117.5778	3.693	6	117.7863	3.382	7	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:N-2:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	H(NCN)	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	H(NCN)	119.0370	0.000	1	119.0370	0.000	1	117.7863	3.382	7	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	H(NCO)	N(CC[6a]O)(OH)(H)	C(C[6a]C[6a]2)(NHO)(O)	H(NCO)	123.9435	0.252	2	123.9435	0.064	2	123.9435	0.064	2	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(OC)(H)	C(NCO)(NHO)(O)	H(NCO)	N(CNO)(OC)(H)	C(NCO)(NHO)(O)	H(NCO)	116.1570	0.000	1	116.1570	0.000	1	112.7010	14.563	6	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(OC)(H)	C(NHH)(NHO)(O)	H(NCO)	N(CNO)(OC)(H)	C(NHH)(NHO)(O)	H(NCO)	110.7617	4.728	3	110.7617	22.350	3	112.7010	14.563	6	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(OH)(H)	C(NCH)(NHO)(O)	H(NCO)	N(CNO)(OH)(H)	C(NCH)(NHO)(O)	H(NCO)	112.8580	0.000	1	112.8580	0.000	1	112.7010	14.563	6	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:1:	3:	C-3:O-2:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(OH)(H)	C(NC[6a]H)(NHO)(O)	H(NCO)	N(CNO)(OH)(H)	C(NC[6a]H)(NHO)(O)	H(NCO)	114.9060	0.000	1	114.9060	0.000	1	112.7010	14.563	6	117.1542	17.488	37	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	3:3:2:	3:	C-3:N-2:H-1:	N-3:N-3:S-2:	N-3:	N(CNS)(NC)(H)	C(NCH)(NHN)(SAg)	H(NCN)	N(CNS)(NC)(H)	C(NCH)(NHN)(SAg)	H(NCN)	115.0375	0.416	2	115.0375	0.173	2	115.0375	0.173	2	115.0375	0.173	2	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:2:1:	4:3:1:	3:	C-3:N-2:H-1:	C[6]-4:N-3:O-1:	N-3:	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	H(NCN)	N(CC[6]O)(NC)(H)	C(C[6]C[6]2H)(NHN)(O)	H(NCN)	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	2:3:1:	3:	C-3:C-3:H-1:	O-2:N-3:O-1:	N-3:	N(CNS)(COO)(H)	C(OC[6])(NCH)(O)	H(NCC)	N(CNS)(COO)(H)	C(OC[6])(NCH)(O)	H(NCC)	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CNN)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CNN)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	116.2730	0.000	1	116.2730	0.000	1	116.2730	0.000	1	118.0481	28.805	26	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(NCC)(H)	C(NHN)(OC)(O)	H(NCN)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	H(NCN)	120.7441	8.460	7	120.7441	71.567	7	119.6526	38.862	13	118.0481	28.805	26	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(NCH)(H)	C(NHN)(OC)(O)	H(NCN)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	H(NCN)	118.7826	1.870	5	118.7826	3.499	5	119.6526	38.862	13	118.0481	28.805	26	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C-3:N-3:H-1:	N-3:O-2:O-1:	N-3:	N(COO)(NHP)(H)	C(NHN)(OC)(O)	H(NCN)	N(COO)(NHP)(H)	C(NHN)(OC)(O)	H(NCN)	116.3620	0.000	1	116.3620	0.000	1	119.6526	38.862	13	118.0481	28.805	26	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	C[5a]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5a]N[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	N(C[5a]N[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	H(NC[5a]C)	116.8140	0.000	1	116.8140	0.000	1	116.8140	0.000	1	118.0481	28.805	26	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	117.4790	2.442	5	117.4790	5.964	5	116.1528	19.832	10	118.0481	28.805	26	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	115.3920	6.599	4	115.3920	43.549	4	116.1528	19.832	10	118.0481	28.805	26	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	H(NCN)	112.5650	0.000	1	112.5650	0.000	1	116.1528	19.832	10	118.0481	28.805	26	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:2:1:	3:	N[5]-3:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(N[5]C[5]2)(COO)(H)	C(NN[5]H)(OC)(O)	H(NN[5]C)	N(N[5]C[5]2)(COO)(H)	C(NN[5]H)(OC)(O)	H(NN[5]C)	119.1510	0.000	1	119.1510	0.000	1	119.1510	0.000	1	118.0481	28.805	26	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[5a]-3:C-3:H-1:	N-3:N-2:S-2:	N-3:	N(C[5a]C[5a]2)(CNS)(H)	C(NC[5a]H)(NC)(SC)	H(NC[5a]C)	N(C[5a]C[5a]2)(CNS)(H)	C(NC[5a]H)(NC)(SC)	H(NC[5a]C)	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	114.2840	14.699	2	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:2:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-2:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])2	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[6a])2	H(NC[6a]C)	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	114.2840	14.699	2	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(C[5a]C[5a]O[5a])(NCH)(O)	H(NCC)	119.1990	0.000	1	119.1990	0.000	1	119.1990	0.000	1	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	116.2022	2.668	13	116.2022	7.118	13	115.7279	8.050	19	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CN[6]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CN[6]S)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	116.7875	0.373	2	116.7875	0.139	2	115.7279	8.050	19	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CSeN)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CSeN)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	113.6567	3.512	4	113.6567	12.338	4	115.7279	8.050	19	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCO)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	N(CCO)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	114.6310	0.000	1	114.6310	0.000	1	113.8465	1.134	16	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[5a]O)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	N(CC[5a]O)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	112.3220	0.000	1	112.3220	0.000	1	113.8465	1.134	16	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NCC)(NCH)(S)	H(NCC)	113.5864	0.996	8	113.5864	0.992	8	113.8465	1.134	16	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6a]2)(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6a]2)(NCH)(S)	H(NCC)	114.3685	1.152	2	114.3685	1.327	2	113.8465	1.134	16	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	H(NCC)	N(CC[6a]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	H(NCC)	113.8460	0.881	3	113.8460	0.776	3	113.8465	1.134	16	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(COO)(H)	C(NCC)(NCH)(S)	H(NCC)	N(CNS)(COO)(H)	C(NCC)(NCH)(S)	H(NCC)	115.6250	0.000	1	115.6250	0.000	1	113.8465	1.134	16	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N-3:N-3:Se-1:	N-3:	N(CC[6a]O)(CSeN)(H)	C(NCC)(NCH)(Se)	H(NCC)	N(CC[6a]O)(CSeN)(H)	C(NCC)(NCH)(Se)	H(NCC)	114.8478	2.597	4	114.8478	6.742	4	114.8478	6.742	4	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:C-3:H-1:	N[6]-3:N-3:S-1:	N-3:	N(CC[6a]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	N(CC[6a]O)(CN[6]S)(H)	C(N[6]C[6]2)(NCH)(S)	H(NCC)	114.4545	0.354	2	114.4545	0.126	2	114.4545	0.126	2	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]2)(NHN)(O)	H(NCN)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]2)(NHN)(O)	H(NCN)	121.5800	0.000	1	121.5800	0.000	1	120.7445	1.396	2	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	N(CC[5a]O)(NCH)(H)	C(C[5a]C[5a]O[5a])(NHN)(O)	H(NCN)	119.9090	0.000	1	119.9090	0.000	1	120.7445	1.396	2	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NCC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	120.5070	1.459	2	120.5070	2.130	2	121.4537	1.688	18	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NCH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	121.6884	1.212	10	121.6884	1.469	10	121.4537	1.688	18	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[6a]2)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	120.1800	0.000	1	120.1800	0.000	1	121.4537	1.688	18	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC[6a]H)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	120.7987	0.202	3	120.7987	0.041	3	121.4537	1.688	18	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCuC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NCuC)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	121.4080	0.000	1	121.4080	0.000	1	121.4537	1.688	18	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	124.2840	0.000	1	124.2840	0.000	1	121.4537	1.688	18	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	H(NCN)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	H(NCN)	114.6570	3.555	4	114.6570	12.639	4	116.5224	8.651	10	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	H(NCN)	N(CNO)(NCH)(H)	C(NHH)(NHN)(O)	H(NCN)	117.6780	1.574	3	117.6780	2.477	3	116.5224	8.651	10	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NCH)(H)	C(NHN)2(O)	H(NCN)	N(CNO)(NCH)(H)	C(NHN)2(O)	H(NCN)	120.6520	0.000	1	120.6520	0.000	1	116.5224	8.651	10	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:O-1:	N-3:	N(CNO)(NOO)(H)	C(NCH)(NHN)(O)	H(NCN)	N(CNO)(NOO)(H)	C(NCH)(NHN)(O)	H(NCN)	116.4550	0.000	2	116.4550	0.000	2	116.5224	8.651	10	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NCH)(H)	C(NCC)(NHN)(S)	H(NCN)	N(CNS)(NCH)(H)	C(NCC)(NHN)(S)	H(NCN)	121.7850	0.103	2	121.7850	0.011	2	120.0866	2.887	7	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	118.4800	2.414	2	118.4800	5.828	2	120.0866	2.887	7	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C-3:N-3:H-1:	N-3:N-3:S-1:	N-3:	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	H(NCN)	N(CNS)(NCH)(H)	C(NHH)(NHN)(S)	H(NCN)	120.0253	0.520	3	120.0253	0.270	3	120.0866	2.887	7	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[5,6]-3:N-3:H-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	H(NC[6a]C)	118.1550	0.000	1	118.1550	0.000	1	118.1550	0.000	1	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	113.4620	0.000	1	113.4620	0.000	1	115.9138	11.807	9	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(O)	H(NC[6a]C)	116.2203	3.539	8	116.2203	12.528	8	115.9138	11.807	9	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	114.4890	0.000	1	114.4890	0.000	1	117.2882	25.739	11	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NHH)(O)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NHH)(O)	H(NC[6a]C)	117.2770	0.000	1	117.2770	0.000	1	117.2882	25.739	11	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	131.6290	0.000	1	131.6290	0.000	1	117.2882	25.739	11	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[6]C)(O)	H(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)(NC[6]C)(O)	H(NC[6a]C)	117.4350	0.000	1	117.4350	0.000	1	117.2882	25.739	11	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	H(NC[6a]C)	117.3000	1.134	2	117.3000	1.286	2	117.2882	25.739	11	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NC[6a]C)	113.6235	2.456	2	113.6235	6.031	2	117.2882	25.739	11	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NN[5a]C)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NN[5a]C)(O)	H(NC[6a]C)	115.0980	0.000	1	115.0980	0.000	1	117.2882	25.739	11	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	H(NC[6a]C)	116.1975	1.587	2	116.1975	2.520	2	117.2882	25.739	11	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCC)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCC)(S)	H(NC[6a]C)	113.5750	0.000	1	113.5750	0.000	1	113.9246	6.999	18	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NC[6a]C)	111.4220	0.000	1	111.4220	0.000	1	113.9246	6.999	18	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(S)	H(NC[6a]C)	114.1028	2.734	16	114.1028	7.472	16	113.9246	6.999	18	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[5]-3:N-3:S-1:	N-3:	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5]2)(NC[6a]H)(S)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5]2)(NC[6a]H)(S)	H(NC[6a]C)	114.3520	0.000	1	114.3520	0.000	1	114.3520	0.000	1	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:H-1:	N[6]-3:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CN[6]O)(H)	C(N[6]C[6]2)(NC[6a]H)(O)	H(NC[6a]C)	117.0355	1.304	4	117.0355	1.700	4	117.0355	1.700	4	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[6]H)(CNS)(H)	C(NCH)(NHN)(S)	H(NCN)	N(NC[6]H)(CNS)(H)	C(NCH)(NHN)(S)	H(NCN)	116.7030	2.300	2	116.7030	5.288	2	117.3535	3.360	4	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[6]H)(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	N(NC[6]H)(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	116.7590	0.000	1	116.7590	0.000	1	117.3535	3.360	4	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N-3:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	H(NCN)	119.2490	0.000	1	119.2490	0.000	1	117.3535	3.360	4	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(N[5]C[5,5]C[5])(CC[5a]O)(H)	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5,5]C[5])(CC[5a]O)(H)	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	H(NN[5]C)	121.4590	0.000	1	121.4590	0.000	1	119.0660	4.384	3	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(N[5]C[5,6]C[5])(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(NN[5]H)(O)	H(NN[5]C)	118.1680	0.000	1	118.1680	0.000	1	119.0660	4.384	3	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(N[5]C[5]2)(CC[5a]O)(H)	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5]2)(CC[5a]O)(H)	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	H(NN[5]C)	117.5710	0.000	1	117.5710	0.000	1	119.0660	4.384	3	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(N[5]C[5]2)(CNO)(H)	C(NC[6a]C)(NN[5]H)(O)	H(NN[5]C)	N(N[5]C[5]2)(CNO)(H)	C(NC[6a]C)(NN[5]H)(O)	H(NN[5]C)	120.4740	0.000	1	120.4740	0.000	1	120.3310	0.468	3	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5]-3:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)2(O)	H(NN[5]C)	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)2(O)	H(NN[5]C)	120.2595	0.951	2	120.2595	0.905	2	120.3310	0.468	3	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	N(N[5a]C[5,5a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	123.1260	0.000	1	123.1260	0.000	1	122.4725	0.854	2	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[5a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	N(N[5a]C[5a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[5a]H)(O)	H(NN[5a]C)	121.8190	0.000	1	121.8190	0.000	1	122.4725	0.854	2	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[6]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	H(NN[6]C)	N(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6]H)(O)	H(NN[6]C)	125.0280	0.000	1	125.0280	0.000	1	125.0280	0.000	1	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:1:	3:	N[6a]-3:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(N[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6a]H)(O)	H(NN[6a]C)	N(N[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NN[6a]H)(O)	H(NN[6a]C)	121.4350	0.000	1	121.4350	0.000	1	121.4350	0.000	1	116.9712	13.713	137	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CNN)(COO)(H)	C(NCH)2(NCl)	H(NCC)	N(CNN)(COO)(H)	C(NCH)2(NCl)	H(NCC)	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	115.3689	4.807	8	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	H(NC[6a]C)	114.1090	0.000	1	114.1090	0.000	1	114.1090	0.000	1	115.3689	4.807	8	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6])	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6])	H(NC[6a]C)	113.2495	0.612	2	113.2495	0.374	2	114.2193	2.310	4	115.3689	4.807	8	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	C[6a]-3:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6a])	H(NC[6a]C)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6a])	H(NC[6a]C)	115.1890	1.672	2	115.1890	2.794	2	114.2193	2.310	4	115.3689	4.807	8	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:2:	3:	N-3:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NNiC)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCN)	N(NNiC)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCN)	118.4680	0.723	2	118.4680	0.522	2	118.4680	0.522	2	115.3689	4.807	8	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NCH)(H)	C(NHH)2(NHN)	H(NCN)	N(CNN)(NCH)(H)	C(NHH)2(NHN)	H(NCN)	117.4840	2.468	2	117.4840	6.090	2	117.6857	7.096	7	116.6523	10.948	9	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NHH)(H)	C(NHH)(NHN)2	H(NCN)	N(CNN)(NHH)(H)	C(NHH)(NHN)2	H(NCN)	118.2275	1.265	2	118.2275	1.600	2	117.6857	7.096	7	116.6523	10.948	9	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C-3:N-3:H-1:	N-3:N-3:N-3:	N-3:	N(CNN)(NHH)(H)	C(NHH)2(NHN)	H(NCN)	N(CNN)(NHH)(H)	C(NHH)2(NHN)	H(NCN)	117.4590	4.127	3	117.4590	17.032	3	117.6857	7.096	7	116.6523	10.948	9	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6]-3:N-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]H)(NCC)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]H)(NCC)	H(NC[6a]C)	110.6510	0.000	1	110.6510	0.000	1	110.6510	0.000	1	116.6523	10.948	9	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	H(NC[6a]C)	115.4200	0.000	1	115.4200	0.000	1	115.4200	0.000	1	116.6523	10.948	9	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	104.7310	0.000	1	104.7310	0.000	1	111.5253	40.510	3	111.5253	40.510	3	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	H(NC[6a]C)	112.4960	0.000	1	112.4960	0.000	1	111.5253	40.510	3	111.5253	40.510	3	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	3:4:1:	3:	C[6a]-3:C-3:H-1:	N-3:C-4:O-1:	N-3:	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	H(NC[6a]C)	117.3490	0.000	1	117.3490	0.000	1	111.5253	40.510	3	111.5253	40.510	3	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(CNS)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CCO)(CNS)(H)	C(CCHH)(NCH)(O)	H(NCC)	117.0840	0.000	1	117.0840	0.000	1	117.0840	0.000	1	118.3955	21.246	6	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:N-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	H(NCN)	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	H(NCN)	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	118.3955	21.246	6	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C-3:S-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(SCO)(H)	C(C[5]C[5]N[5]H)(NHS)(O)	H(NCS)	N(CC[5]O)(SCO)(H)	C(C[5]C[5]N[5]H)(NHS)(O)	H(NCS)	122.4210	0.000	1	122.4210	0.000	1	122.4210	0.000	1	118.3955	21.246	6	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	C[6a]-3:C-3:H-1:	C[3]-4:N-3:O-1:	N-3:	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	H(NC[6a]C)	N(C[6a]C[6a]2)(CC[3]O)(H)	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	H(NC[6a]C)	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	118.3955	21.246	6	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	H(NCN)	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	H(NCN)	119.2330	0.000	1	119.2330	0.000	1	118.8035	0.369	2	118.3955	21.246	6	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:3:1:	4:3:1:	3:	N-3:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(NSnC)(CCO)(H)	C(CC[3x6]HH)(NHN)(O)	H(NCN)	N(NSnC)(CCO)(H)	C(CC[3x6]HH)(NHN)(O)	H(NCN)	118.3740	0.000	1	118.3740	0.000	1	118.8035	0.369	2	118.3955	21.246	6	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[5a]-3:N-3:O-1:	N-3:	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	N(CC[5a]O)(CC3)(H)	C(C[5a]C[5a]N[5a])(NCH)(O)	H(NCC)	113.1440	0.000	1	113.1440	0.000	1	113.1440	0.000	1	119.1842	10.258	13	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	N(CC[6]O)(CCHH)(H)	C(C[6]C[6]2)(NCH)(O)	H(NCC)	117.7810	0.000	1	117.7810	0.000	1	117.7810	0.000	1	119.1842	10.258	13	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	116.5963	2.547	3	116.5963	6.486	3	116.8325	4.547	4	119.1842	10.258	13	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]O)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	117.5410	0.000	1	117.5410	0.000	1	116.8325	4.547	4	119.1842	10.258	13	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:C-4:H-1:	N[5]-3:N-3:O-1:	N-3:	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]2)(NCH)(O)	H(NCC)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]2)(NCH)(O)	H(NCC)	120.8710	0.000	1	120.8710	0.000	1	120.8710	0.000	1	119.1842	10.258	13	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[6]-3:N-3:O-1:	N-3:	N(CC[6]O)(NH3)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	N(CC[6]O)(NH3)(H)	C(C[6]C[6]2)(NHN)(O)	H(NCN)	121.4690	1.105	2	121.4690	1.220	2	121.4690	1.220	2	119.1842	10.258	13	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NC3)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NC3)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	122.0280	0.000	1	122.0280	0.000	1	121.8328	2.105	4	119.1842	10.258	13	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NCHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NCHH)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	123.8100	0.000	1	123.8100	0.000	1	121.8328	2.105	4	119.1842	10.258	13	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:1:	3:	C-3:N-4:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]O)(NH3)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	N(CC[6a]O)(NH3)(H)	C(C[6a]C[6a]2)(NHN)(O)	H(NCN)	120.7465	0.083	2	120.7465	0.007	2	121.8328	2.105	4	119.1842	10.258	13	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NC)	H(NCC)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)(NC)	H(NCC)	108.6540	0.000	1	108.6540	0.000	1	113.9915	19.779	4	114.4673	9.130	8	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(NC)	H(NCC)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a,6a]C[6a])(NCH)(NC)	H(NCC)	117.6255	0.842	2	117.6255	0.709	2	113.9915	19.779	4	114.4673	9.130	8	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	C[6a]-3:N-3:N-2:	N-3:	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(NC)	H(NCC)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)(NC)	H(NCC)	112.0610	0.000	1	112.0610	0.000	1	113.9915	19.779	4	114.4673	9.130	8	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:2:	3:	C-3:C-4:H-1:	N[5a]-3:N-3:N-2:	N-3:	N(CN[5a]N)(CCCH)(H)	C(N[5a]C[5a]2)(NCH)(NC)	H(NCC)	N(CN[5a]N)(CCCH)(H)	C(N[5a]C[5a]2)(NCH)(NC)	H(NCC)	114.9430	0.960	4	114.9430	0.921	4	114.9430	0.921	4	114.4673	9.130	8	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]2)(NCH)	H(NCC)	N(CC[6a]C)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]2)(NCH)	H(NCC)	108.5930	0.000	1	108.5930	0.000	1	111.6250	18.386	2	111.8030	6.966	4	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:C-4:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(NCC)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	H(NCC)	114.6570	0.000	1	114.6570	0.000	1	111.6250	18.386	2	111.8030	6.966	4	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:S-4:H-1:	C[5]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]C[5])(SCOO)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHS)	H(NCS)	N(CC[6a]C[5])(SCOO)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHS)	H(NCS)	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	111.8030	6.966	4	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	3:3:3:	3:	C-3:S-4:H-1:	C[6a]-3:C[5]-3:N-3:	N-3:	N(CC[6a]C[5])(SC[6a]OO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHS)	H(NCS)	N(CC[6a]C[5])(SC[6a]OO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHS)	H(NCS)	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	111.8030	6.966	4	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[3]-4:N-3:O-1:	N-3:	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2N)(NCH)(O)	H(NCC)	N(CC[3]O)(CCCH)(H)	C(C[3]C[3]2N)(NCH)(O)	H(NCC)	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	114.2310	56.676	3	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	N(CC[5]O)(CCCH)(H)	C(C[5]C[5]2Fe)(NCH)(O)	H(NCC)	120.9930	0.000	1	120.9930	0.000	1	113.5560	110.618	2	114.2310	56.676	3	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	4:3:1:	3:	C-3:C-4:H-1:	C[5]-4:N-3:O-1:	N-3:	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2Co)(NCH)(O)	H(NCC)	N(CC[5]O)(CCHH)(H)	C(C[5]C[5]2Co)(NCH)(O)	H(NCC)	106.1190	0.000	1	106.1190	0.000	1	113.5560	110.618	2	114.2310	56.676	3	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	6:3:2:	3:	C-3:C[6]-4:H-1:	C[5x3,5x5,20x6]-6:N-3:N-2:	N-3:	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	H(NC[6]C)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	H(NC[6]C)	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	3:4:1:	6:3:3:	3:	C-3:C-4:H-1:	C[3x3,3x5,12x6]-6:N-3:N-3:	N-3:	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ni)(NCH)2	H(NCC)	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ni)(NCH)2	H(NCC)	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	N-2:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[5])(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NC[5])(NCH)2	H(NCC)	113.7460	0.000	1	113.7460	0.000	1	114.0927	5.248	3	114.0927	5.248	3	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	2:3:3:	3:	C-4:C-3:H-1:	N-2:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)2	H(NCC)	114.2660	3.212	2	114.2660	10.315	2	114.0927	5.248	3	114.0927	5.248	3	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	115.9453	3.138	14	115.9453	9.845	14	115.9120	11.816	21	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.4015	2.391	2	117.4015	5.716	2	115.9120	11.816	21	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	113.7307	6.257	3	113.7307	39.147	3	115.9120	11.816	21	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(CC[6a]C[5]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	N(CC[6a]C[5]H)(COO)(H)	C(NCH)(OC)(O)	H(NCC)	117.4620	0.894	2	117.4620	0.799	2	115.9120	11.816	21	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[4]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[4]C[4]2C)(COO)(H)	C(NC[4]H)(OC)(O)	H(NC[4]C)	N(C[4]C[4]2C)(COO)(H)	C(NC[4]H)(OC)(O)	H(NC[4]C)	117.2260	0.000	1	117.2260	0.000	1	117.2260	0.000	1	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5,6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	C(NC[5,6]H)(OC)(O)	H(NC[5,6]C)	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	C(NC[5,6]H)(OC)(O)	H(NC[5,6]C)	115.0020	0.000	1	115.0020	0.000	1	115.0020	0.000	1	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	115.9933	0.676	3	115.9933	0.456	3	116.6568	7.447	11	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	117.6350	1.492	2	117.6350	2.226	2	116.6568	7.447	11	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5]N)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5]N)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	115.7480	0.000	1	115.7480	0.000	1	116.6568	7.447	11	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	113.0400	0.000	2	113.0400	0.000	2	116.6568	7.447	11	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5]2C)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5]2C)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	121.0100	1.711	2	121.0100	2.928	2	116.6568	7.447	11	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[5]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OC)(O)	H(NC[5]C)	116.1270	0.000	1	116.1270	0.000	1	116.6568	7.447	11	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6,6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	C(NC[6,6]H)(OC)(O)	H(NC[6,6]C)	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	C(NC[6,6]H)(OC)(O)	H(NC[6,6]C)	115.8300	0.000	1	115.8300	0.000	1	115.8300	0.000	1	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6,6a]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	116.5870	0.000	1	116.5870	0.000	1	112.9458	17.140	4	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6]2C)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6]2C)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	115.6110	0.000	1	115.6110	0.000	1	112.9458	17.140	4	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]C[6a]C[6]N[6])(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]C[6a]C[6]N[6])(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	112.1560	0.000	1	112.1560	0.000	1	112.9458	17.140	4	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:1:	3:	C[6]-4:C-3:H-1:	N-3:O-2:O-1:	N-3:	N(C[6]N[5,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	N(C[6]N[5,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	H(NC[6]C)	107.4290	0.000	1	107.4290	0.000	1	112.9458	17.140	4	115.8261	10.678	39	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:C-2:N-2:	N-3:	N(CCCH)(CCN)(H)	C(NCH)(CC)(NC)	H(NCC)	N(CCCH)(CCN)(H)	C(NCH)(CC)(NC)	H(NCC)	106.2690	0.000	1	106.2690	0.000	1	106.2690	0.000	1	115.3255	41.480	4	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	C-4:C-3:H-1:	N-3:S-2:N-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)(SCo)(NN)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)(SCo)(NN)	H(NCC)	115.5400	0.000	1	115.5400	0.000	1	115.5400	0.000	1	115.3255	41.480	4	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	N-4:C-3:H-1:	N-3:O-2:O-2:	N-3:	N(NCoHH)(COO)(H)	C(NHN)(OCo)(OC)	H(NCN)	N(NCoHH)(COO)(H)	C(NHN)(OCo)(OC)	H(NCN)	118.4650	0.000	1	118.4650	0.000	1	119.7465	3.284	2	115.3255	41.480	4	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:2:	3:	N-4:C-3:H-1:	N-3:O-2:O-2:	N-3:	N(NNiHH)(COO)(H)	C(NHN)(ONi)(OC)	H(NCN)	N(NNiHH)(COO)(H)	C(NHN)(ONi)(OC)	H(NCN)	121.0280	0.000	1	121.0280	0.000	1	119.7465	3.284	2	115.3255	41.480	4	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:3:	3:	C[6]-4:C-3:H-1:	N-3:N-2:N-3:	N-3:	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)(NC[6])(NCC)	H(NC[6]C)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)(NC[6])(NCC)	H(NC[6]C)	113.2580	4.021	2	113.2580	16.165	2	113.2580	16.165	2	113.2580	16.165	2	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:2:4:	3:	C[6]-4:C-3:H-1:	N-3:N-2:C-4:	N-3:	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(NC[6a])(CC3)	H(NC[6]C)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(NC[6a])(CC3)	H(NC[6]C)	116.2450	0.000	1	116.2450	0.000	1	116.2450	0.000	1	116.2450	0.000	1	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	113.3890	2.003	2	113.3890	4.010	2	114.0363	3.262	3	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NCH)(O)	H(NCC)	115.3310	0.000	1	115.3310	0.000	1	114.0363	3.262	3	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NCH)(NHN)(O)	H(NCC)	N(CC3)(CNO)(H)	C(NCH)(NHN)(O)	H(NCC)	108.3200	0.000	1	108.3200	0.000	1	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC3)(CNO)(H)	C(NCH)2(O)	H(NCC)	114.1330	0.113	2	114.1330	0.013	2	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC3)(CNO)(H)	C(NCoC)(NCH)(O)	H(NCC)	N(CC3)(CNO)(H)	C(NCoC)(NCH)(O)	H(NCC)	111.7610	0.000	1	111.7610	0.000	1	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	117.7950	0.000	1	117.7950	0.000	1	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NCH)2(O)	H(NCC)	114.9087	3.097	3	114.9087	9.589	3	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CCCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	116.7520	4.270	3	116.7520	18.229	3	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)(NHH)(O)	H(NCC)	119.0200	0.000	1	119.0200	0.000	1	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NCH)2(O)	H(NCC)	111.2690	0.000	1	111.2690	0.000	1	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	H(NCC)	118.9373	2.138	3	118.9373	4.572	3	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[5]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[5]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	115.6530	0.000	1	115.6530	0.000	1	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6]CH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[6]CH)(CNO)(H)	C(NCH)2(O)	H(NCC)	114.0185	1.872	2	114.0185	3.503	2	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[6]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	117.0190	0.973	2	117.0190	0.947	2	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]CC)(CNO)(H)	C(NCH)(NHN)(O)	H(NCC)	N(CC[6a]CC)(CNO)(H)	C(NCH)(NHN)(O)	H(NCC)	112.2163	1.033	4	112.2163	1.066	4	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]CH)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NCC)	N(CC[6a]CH)(CNO)(H)	C(NC[6]H)(NCH)(O)	H(NCC)	115.2970	0.000	1	115.2970	0.000	1	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CC[6a]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	N(CC[6a]HH)(CNO)(H)	C(NCH)2(O)	H(NCC)	115.4879	3.466	9	115.4879	12.015	9	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(CH3)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	N(CH3)(CNO)(H)	C(NCC)(NCH)(O)	H(NCC)	120.8620	0.000	1	120.8620	0.000	1	115.2880	11.255	36	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCCH)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CCCH)(CNS)(H)	C(NCH)2(S)	H(NCC)	119.0860	0.000	1	119.0860	0.000	1	115.2084	6.514	7	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCCH)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	N(CCCH)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	117.5510	0.000	1	117.5510	0.000	1	115.2084	6.514	7	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCHH)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)2(S)	H(NCC)	111.9940	0.000	1	111.9940	0.000	1	115.2084	6.514	7	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CCHH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	N(CCHH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	H(NCC)	115.3870	0.000	1	115.3870	0.000	1	115.2084	6.514	7	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6]CC)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	N(CC[6]CC)(CNS)(H)	C(NCH)(NHN)(S)	H(NCC)	113.7840	0.000	1	113.7840	0.000	1	115.2084	6.514	7	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]3)(CNS)(H)	C(NCH)2(S)	H(NCC)	N(CC[6a]3)(CNS)(H)	C(NCH)2(S)	H(NCC)	112.8090	0.000	1	112.8090	0.000	1	115.2084	6.514	7	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(CC[6a]CH)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	N(CC[6a]CH)(CNS)(H)	C(NC[6]H)(NCH)(S)	H(NCC)	115.8480	0.000	1	115.8480	0.000	1	115.2084	6.514	7	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[5,5,6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	C(NC[5,5,6]H)2(O)	H(NC[5,5,6]C)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	C(NC[5,5,6]H)2(O)	H(NC[5,5,6]C)	113.5770	0.000	1	113.5770	0.000	1	113.5770	0.000	1	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C(NC[6]H)2(O)	H(NC[6]C)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C(NC[6]H)2(O)	H(NC[6]C)	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	C[6]-4:C-3:H-1:	N[5]-3:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	H(NC[6]C)	117.8100	0.000	1	117.8100	0.000	1	117.8100	0.000	1	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(NH3)(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	N(NH3)(CNO)(H)	C(NHH)(NHN)(O)	H(NCN)	121.6860	0.000	1	121.6860	0.000	1	119.3857	1.932	6	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(NH3)(CNO)(H)	C(NHN)2(O)	H(NCN)	N(NH3)(CNO)(H)	C(NHN)2(O)	H(NCN)	118.9256	0.910	5	118.9256	0.827	5	119.3857	1.932	6	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NH3)(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	N(NH3)(CNS)(H)	C(NHH)(NHN)(S)	H(NCN)	123.9690	0.000	1	123.9690	0.000	1	121.6380	10.867	2	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	N-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(NH3)(CNS)(H)	C(NHN)2(S)	H(NCN)	N(NH3)(CNS)(H)	C(NHN)2(S)	H(NCN)	119.3070	0.000	1	119.3070	0.000	1	121.6380	10.867	2	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	H(NCS)	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	H(NCS)	119.7190	0.000	1	119.7190	0.000	1	117.4026	17.811	5	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	H(NCS)	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	H(NCS)	118.5540	1.317	2	118.5540	1.734	2	117.4026	17.811	5	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(SC[6a]OO)(CCH)(H)	C(CC[6]S)(NHS)(H)	H(NCS)	N(SC[6a]OO)(CCH)(H)	C(CC[6]S)(NHS)(H)	H(NCS)	120.1340	0.000	1	120.1340	0.000	1	117.4026	17.811	5	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C-3:N-3:H-1:	N-3:	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	H(NCS)	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	H(NCS)	110.0520	0.000	1	110.0520	0.000	1	117.4026	17.811	5	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	C[6a]-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NHS)(O)	H(NCS)	121.8898	4.941	4	121.8898	24.414	4	121.8898	24.414	4	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CNO)(H)	C(NCH)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CNO)(H)	C(NCH)(NHS)(O)	H(NCS)	115.5135	0.535	2	115.5135	0.287	2	116.0873	1.131	3	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N-3:N-3:O-1:	N-3:	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	H(NCS)	117.2350	0.000	1	117.2350	0.000	1	116.0873	1.131	3	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:1:	3:	S-4:C-3:H-1:	N-3:N-3:S-1:	N-3:	N(SC[6a]OO)(CNS)(H)	C(NC[6a]H)(NHS)(S)	H(NCS)	N(SC[6a]OO)(CNS)(H)	C(NC[6a]H)(NHS)(S)	H(NCS)	114.6290	0.000	1	114.6290	0.000	1	114.6290	0.000	1	116.3118	13.458	70	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:C-2:	N-3:	N(CCCH)(CCN)(H)	C(NZnC)(NCH)(CC)	H(NCC)	N(CCCH)(CCN)(H)	C(NZnC)(NCH)(CC)	H(NCC)	115.8960	0.000	1	115.8960	0.000	1	115.8960	0.000	1	114.5464	9.493	10	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(CCCH)(CNN)(H)	C(NCC)(NCH)(NC)	H(NCC)	N(CCCH)(CNN)(H)	C(NCC)(NCH)(NC)	H(NCC)	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	114.5464	9.493	10	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(CCHH)(CNS)(H)	C(NCH)2(SAg)	H(NCC)	N(CCHH)(CNS)(H)	C(NCH)2(SAg)	H(NCC)	114.0843	1.768	3	114.0843	3.127	3	114.0843	3.127	3	114.5464	9.493	10	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[3x6]-4:C-3:H-1:	C[6]-3:N-3:O-2:	N-3:	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C(C[6]C[6,6a]C[6])(NC[3x6]H)(OMg)	H(NC[3x6]C)	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C(C[6]C[6,6a]C[6])(NC[3x6]H)(OMg)	H(NC[3x6]C)	111.6380	0.000	1	111.6380	0.000	1	111.6380	0.000	1	114.5464	9.493	10	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	C[6]-4:C-3:H-1:	N[6]-3:N-3:N-2:	N-3:	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	H(NC[6]C)	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	H(NC[6]C)	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	114.5464	9.493	10	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:N-2:	N-3:	N(NH3)(CNN)(H)	C(NHH)(NHN)(NN)	H(NCN)	N(NH3)(CNN)(H)	C(NHH)(NHN)(NN)	H(NCN)	116.9020	0.000	1	116.9020	0.000	1	116.9020	0.000	1	114.5464	9.493	10	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NNiHH)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCN)	N(NNiHH)(CNS)(H)	C(NCH)(NHN)(SNi)	H(NCN)	117.4120	0.000	1	117.4120	0.000	1	118.4985	2.361	2	114.5464	9.493	10	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:2:	3:	N-4:C-3:H-1:	N-3:N-3:S-2:	N-3:	N(NNiHH)(CNS)(H)	C(NHH)(NHN)(SNi)	H(NCN)	N(NNiHH)(CNS)(H)	C(NHH)(NHN)(SNi)	H(NCN)	119.5850	0.000	1	119.5850	0.000	1	118.4985	2.361	2	114.5464	9.493	10	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(CC[6a]2C)(CCC)(H)	C(CC[6a]C)2(NCH)	H(NCC)	N(CC[6a]2C)(CCC)(H)	C(CC[6a]C)2(NCH)	H(NCC)	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	112.3982	22.228	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NC[6a]Pd)(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NC[6a]Pd)(NCH)2	H(NCC)	111.9345	4.850	4	111.9345	23.525	4	111.4538	47.086	9	112.3982	22.228	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(CCCH)(CNN)(H)	C(NCoC)(NCH)2	H(NCC)	N(CCCH)(CNN)(H)	C(NCoC)(NCH)2	H(NCC)	111.0692	8.724	5	111.0692	76.113	5	111.4538	47.086	9	112.3982	22.228	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	C[6]-4:C-3:H-1:	N-3:N-3:N-3:	N-3:	N(C[6]C[6]2H)(CNN)(H)	C(NC[5]Pd)(NC[6]H)2	H(NC[6]C)	N(C[6]C[6]2H)(CNN)(H)	C(NC[5]Pd)(NC[6]H)2	H(NC[6]C)	110.8865	0.387	2	110.8865	0.150	2	110.8865	0.150	2	112.3982	22.228	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	H(NCS)	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	H(NCS)	114.5120	0.000	1	114.5120	0.000	1	114.1315	1.135	4	112.3982	22.228	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CCC)(H)	C(CCH)2(NHS)	H(NCS)	N(SC[6a]OO)(CCC)(H)	C(CCH)2(NHS)	H(NCS)	113.7230	0.000	1	113.7230	0.000	1	114.1315	1.135	4	112.3982	22.228	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CCC)(H)	C(CC[6a]O)(CHN)(NHS)	H(NCS)	N(SC[6a]OO)(CCC)(H)	C(CC[6a]O)(CHN)(NHS)	H(NCS)	114.1455	1.759	2	114.1455	3.093	2	114.1315	1.135	4	112.3982	22.228	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C[5]-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]2)(COO)(NHS)	H(NCS)	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]2)(COO)(NHS)	H(NCS)	114.7720	0.000	2	114.7720	0.000	2	113.5403	4.551	3	112.3982	22.228	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C[5]-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	H(NCS)	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	H(NCS)	111.0770	0.000	1	111.0770	0.000	1	113.5403	4.551	3	112.3982	22.228	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C[5a]-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CCO)(NHS)	H(NCS)	N(SC[6a]OO)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CCO)(NHS)	H(NCS)	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	112.3982	22.228	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:3:3:	3:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	N-3:	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	H(NCS)	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	H(NCS)	114.0830	6.309	2	114.0830	39.801	2	114.0830	39.801	2	112.3982	22.228	22	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	3:4:3:	3:	S-4:C-3:H-1:	C-3:C-4:N-3:	N-3:	N(SC[6a]OO)(CCC)(H)	C(CC[6a]Cl)(CClHH)(NHS)	H(NCS)	N(SC[6a]OO)(CCC)(H)	C(CC[6a]Cl)(CClHH)(NHS)	H(NCS)	116.6470	0.000	1	116.6470	0.000	1	116.6470	0.000	1	116.6470	0.000	1	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	H(NCC)	117.4930	1.633	2	117.4930	2.668	2	113.6389	25.685	14	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	112.1050	0.000	1	112.1050	0.000	1	113.6389	25.685	14	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	118.1520	0.000	1	118.1520	0.000	1	113.6389	25.685	14	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	N(CC3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	H(NCC)	108.6990	0.000	1	108.6990	0.000	1	113.6389	25.685	14	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	H(NCC)	114.6820	3.825	4	114.6820	14.627	4	113.6389	25.685	14	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	H(NCC)	119.2270	0.000	1	119.2270	0.000	1	113.6389	25.685	14	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CCl3)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CCl3)(NCH)(O)	H(NCC)	114.2690	0.000	1	114.2690	0.000	1	113.6389	25.685	14	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	H(NCC)	107.1070	0.000	1	107.1070	0.000	1	113.6389	25.685	14	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CCHH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	N(CCHH)(CCO)(H)	C(CH3)(NCH)(O)	H(NCC)	115.3830	0.000	1	115.3830	0.000	1	113.6389	25.685	14	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(CC[5a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	N(CC[5a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	H(NCC)	102.2880	0.000	1	102.2880	0.000	1	113.6389	25.685	14	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	C[6]-4:C-3:H-1:	C[5]-4:N-3:O-1:	N-3:	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	H(NC[6]C)	N(C[6]C[6]2H)(CC[5]O)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	H(NC[6]C)	115.5180	0.000	1	115.5180	0.000	1	115.5180	0.000	1	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:1:	3:	S-4:C-3:H-1:	C-4:N-3:O-1:	N-3:	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	H(NCS)	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	H(NCS)	118.5020	0.000	1	118.5020	0.000	1	118.5020	0.000	1	114.0602	23.883	16	116.3164	19.047	850	116.3164	19.047	850
956	930	951	0:SP3_SP-NON_SP2	N	C	H	4:3:1:	4:3:2:	3:	C-4:C-3:H-1:	P-4:N-3:N-2:	N-3:	N(CCCH)(CNP)(H)	C(PC[6]2Pt)(NCH)(NC)	H(NCC)	N(CCCH)(CNP)(H)	C(PC[6]2Pt)(NCH)(NC)	H(NCC)	111.8915	0.176	2	111.8915	0.031	2	111.8915	0.031	2	111.8915	0.031	2	116.3164	19.047	850	116.3164	19.047	850