@<TRIPOS>MOLECULE
76958201
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.2701     1.7855     0.7077	Cl	1	noname	-0.0531
2	S1     0.2805     0.3893    -0.4117	S.3	1	noname	-0.1887
3	N1     3.7426    -0.5322    -0.6150	N.3	1	noname	-0.0951
4	N2     4.8955     1.9272     1.8631	N.3	1	noname	-0.3080
5	N3     5.7404    -0.4052    -1.8453	N.2	1	noname	-0.2664
6	C1     4.0694     0.7420    -0.1073	C.3	1	noname	0.0177
7	C2     4.5567     0.6060     1.3367	C.3	1	noname	0.0109
8	C3     2.7091    -1.1128     0.1840	C.3	1	noname	0.0391
9	C4     4.8856    -1.1574    -1.0545	C.2	1	noname	0.0242
10	C5     1.5624    -0.2920     0.5799	C.2	1	noname	0.0275
11	C6     5.3611     1.7972     3.2429	C.3	1	noname	-0.0136
12	C7     3.7118     2.7845     1.8269	C.3	1	noname	-0.0136
13	C8     5.2492    -2.5199    -0.7502	C.2	1	noname	-0.0348
14	C9     1.1362    -0.0548     1.8880	C.2	1	noname	-0.0093
15	C10    -0.1001     0.6164     2.0278	C.2	1	noname	0.0045
16	C11     6.4719    -3.0158    -1.2816	C.2	1	noname	-0.0459
17	C12    -0.7934     0.9838     0.8576	C.2	1	noname	0.0558
18	C13     6.9379    -0.8510    -2.3814	C.2	1	noname	-0.0082
19	C14     7.3114    -2.1978    -2.0880	C.2	1	noname	-0.0601
20	H1     3.1869     1.3812    -0.1343	H	1	noname	0.0448
21	H2     4.8574     1.1847    -0.7165	H	1	noname	0.0448
22	H3     3.7686     0.1633     1.9459	H	1	noname	0.0443
23	H4     5.4392    -0.0332     1.3637	H	1	noname	0.0443
24	H5     2.3544    -2.0281    -0.2899	H	1	noname	0.0494
25	H6     3.1896    -1.4183     1.1134	H	1	noname	0.0494
26	H7     5.6138     2.7822     3.6354	H	1	noname	0.0394
27	H8     4.5731     1.3546     3.8521	H	1	noname	0.0394
28	H9     3.9645     3.7695     2.2194	H	1	noname	0.0394
29	H10     2.9238     2.3418     2.4361	H	1	noname	0.0394
30	H11     3.3647     2.8814     0.7982	H	1	noname	0.0394
31	H12     6.2436     1.1581     3.2699	H	1	noname	0.0394
32	H13     4.6490    -3.1085    -0.1726	H	1	noname	0.0656
33	H14     1.6850    -0.3487     2.6960	H	1	noname	0.0635
34	H15    -0.4797     0.8289     2.9503	H	1	noname	0.0647
35	H16     6.7520    -3.9758    -1.0808	H	1	noname	0.0624
36	H17     7.5239    -0.2468    -2.9576	H	1	noname	0.0839
37	H18     8.1838    -2.5749    -2.4581	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	17	1
2	2	10	1
3	2	17	1
4	3	6	1
5	3	8	1
6	3	9	1
7	4	7	1
8	4	11	1
9	4	12	1
10	5	9	1
11	5	18	2
12	6	7	1
13	6	20	1
14	6	21	1
15	7	22	1
16	7	23	1
17	8	10	1
18	8	24	1
19	8	25	1
20	9	13	2
21	10	14	2
22	11	26	1
23	11	27	1
24	11	31	1
25	12	28	1
26	12	29	1
27	12	30	1
28	13	16	1
29	13	32	1
30	14	15	1
31	14	33	1
32	15	17	2
33	15	34	1
34	16	19	2
35	16	35	1
36	18	19	1
37	18	36	1
38	19	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1