@<TRIPOS>MOLECULE
92029501
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.4527    -2.6394     1.7598	Cl	1	noname	-0.0835
2	S1    -0.2639     2.4838    -0.9934	S.3	1	noname	-0.0955
3	N1     0.3592    -1.3781     4.9237	N.3	1	noname	-0.3194
4	C1     1.4645     0.4927     0.7272	C.2	1	noname	-0.0240
5	C2     0.1016     0.1403     0.3981	C.2	1	noname	-0.0051
6	C3     2.1644     1.5240    -0.0299	C.2	1	noname	-0.0154
7	C4     2.1031    -0.0743     1.8028	C.2	1	noname	-0.0512
8	C5    -0.7969     0.9726    -0.3188	C.2	1	noname	-0.0096
9	C6     1.6892    -0.9213     2.9219	C.3	1	noname	-0.0215
10	C7     1.4847     2.4815    -0.8494	C.2	1	noname	-0.0129
11	C8     0.6254    -0.3826     3.8866	C.3	1	noname	-0.0016
12	C9    -0.4414    -1.1250     0.7746	C.2	1	noname	-0.0071
13	C10     3.5905     1.7132    -0.0008	C.2	1	noname	-0.0408
14	C11    -2.1623     0.6154    -0.5064	C.2	1	noname	-0.0216
15	C12     2.1706     3.4974    -1.5660	C.2	1	noname	-0.0319
16	C13    -1.8345    -1.3737     0.8171	C.2	1	noname	-0.0054
17	C14     4.2744     2.7309    -0.6887	C.2	1	noname	-0.0542
18	C15    -2.6998    -0.5340     0.1103	C.2	1	noname	-0.0200
19	C16     3.5624     3.6224    -1.4862	C.2	1	noname	-0.0538
20	C17    -0.6548    -0.8646     5.8433	C.3	1	noname	-0.0164
21	H1     3.0553     0.0969     1.9324	H	1	noname	0.0583
22	H2     1.3777    -1.8953     2.5446	H	1	noname	0.0323
23	H3     2.5700    -1.1160     3.5337	H	1	noname	0.0323
24	H4    -0.2928    -0.1764     3.3366	H	1	noname	0.0431
25	H5     0.9861     0.5362     4.3490	H	1	noname	0.0431
26	H6     0.1660    -1.8794     1.0695	H	1	noname	0.0645
27	H7     4.2186     1.1249     0.5300	H	1	noname	0.0629
28	H8    -2.7727     1.2015    -1.0881	H	1	noname	0.0635
29	H9     1.6702     4.1596    -2.1579	H	1	noname	0.0634
30	H10     5.2906     2.8191    -0.6119	H	1	noname	0.0622
31	H11    -3.7033    -0.7315     0.0199	H	1	noname	0.0638
32	H12     4.0613     4.3509    -2.0117	H	1	noname	0.0623
33	H13     0.0209    -2.2396     4.4902	H	1	noname	0.1219
34	H14    -0.8533    -1.6068     6.6165	H	1	noname	0.0391
35	H15    -1.5730    -0.6584     5.2933	H	1	noname	0.0391
36	H16    -0.2941     0.0542     6.3056	H	1	noname	0.0391
@<TRIPOS>BOND
1	1	16	1
2	2	8	1
3	2	10	1
4	3	11	1
5	3	20	1
6	3	33	1
7	4	5	1
8	4	6	1
9	4	7	2
10	5	8	2
11	5	12	1
12	6	10	1
13	6	13	2
14	7	9	1
15	7	21	1
16	8	14	1
17	9	11	1
18	9	22	1
19	9	23	1
20	10	15	2
21	11	24	1
22	11	25	1
23	12	16	2
24	12	26	1
25	13	17	1
26	13	27	1
27	14	18	2
28	14	28	1
29	15	19	1
30	15	29	1
31	16	18	1
32	17	19	2
33	17	30	1
34	18	31	1
35	19	32	1
36	20	34	1
37	20	35	1
38	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1