@<TRIPOS>MOLECULE
DB01628
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.5668     1.6320    -0.6918	Cl	1	noname	-0.0734
2	C1     1.9366     1.3433    -0.3675	C.2	1	noname	0.0195
3	C2     1.0126     2.3972    -0.2526	C.2	1	noname	0.0293
4	C3     1.4399     0.0349    -0.1996	C.2	1	noname	0.0048
5	N1    -0.3047     2.1185    -0.0010	N.2	1	noname	-0.2330
6	C4     0.0761    -0.3099     0.0768	C.2	1	noname	0.0117
7	C5    -0.8071     0.8378     0.1522	C.2	1	noname	0.0288
8	C6    -0.2653    -1.7286     0.2192	C.2	1	noname	-0.0049
9	C7    -2.2013     0.7970     0.3475	C.2	1	noname	-0.0080
10	C8    -1.5938    -2.2408    -0.0464	C.2	1	noname	-0.0198
11	C9     0.7489    -2.6839     0.6437	C.2	1	noname	-0.0198
12	C10    -3.0293     1.2589    -0.7193	C.2	1	noname	0.0193
13	C11    -2.8060     0.2816     1.5397	C.2	1	noname	-0.0187
14	C12    -1.9278    -3.6193     0.1554	C.2	1	noname	0.0173
15	C13     0.4658    -4.0735     0.8293	C.2	1	noname	0.0173
16	N2    -4.4006     1.1830    -0.5503	N.2	1	noname	-0.2562
17	C14    -4.2207     0.1821     1.6845	C.2	1	noname	-0.0269
18	C15    -0.8826    -4.5056     0.5959	C.2	1	noname	0.0168
19	C16    -4.9984     0.6643     0.5901	C.2	1	noname	0.0055
20	S1    -1.2705    -6.1713     0.8564	S	1	noname	-0.0318
21	C17    -6.4551     0.6110     0.6712	C.3	1	noname	0.0321
22	O1    -2.8104    -6.3049     1.2294	O.2	1	noname	-0.1968
23	O2    -0.9725    -6.9984    -0.4685	O.2	1	noname	-0.1968
24	C18    -0.2683    -6.8170     2.2049	C.3	1	noname	0.0505
25	H1     1.3197     3.4376    -0.3593	H	1	noname	0.0855
26	H2     2.1664    -0.7726    -0.2904	H	1	noname	0.0646
27	H3    -2.3684    -1.5659    -0.4105	H	1	noname	0.0629
28	H4     1.7671    -2.3429     0.8313	H	1	noname	0.0629
29	H5    -2.6217     1.6622    -1.6464	H	1	noname	0.0846
30	H6    -2.1698    -0.0452     2.3623	H	1	noname	0.0630
31	H7    -2.9409    -3.9810    -0.0200	H	1	noname	0.0639
32	H8     1.2440    -4.7727     1.1353	H	1	noname	0.0639
33	H9    -4.6806    -0.2378     2.5791	H	1	noname	0.0641
34	H10    -6.7606     0.5998     1.7175	H	1	noname	0.0295
35	H11    -6.8787     1.4861     0.1784	H	1	noname	0.0295
36	H12    -6.8137    -0.2927     0.1784	H	1	noname	0.0295
37	H13    -0.2859    -7.9066     2.1813	H	1	noname	0.0430
38	H14     0.7583    -6.4677     2.0942	H	1	noname	0.0430
39	H15    -0.6704    -6.4677     3.1559	H	1	noname	0.0430
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	8	1
8	6	7	1
9	7	9	1
10	8	10	2
11	8	11	1
12	9	12	2
13	9	13	1
14	10	14	1
15	11	15	2
16	12	16	1
17	13	17	2
18	14	18	2
19	15	18	1
20	16	19	2
21	17	19	1
22	18	20	1
23	19	21	1
24	20	22	2
25	20	23	2
26	20	24	1
27	3	25	1
28	4	26	1
29	10	27	1
30	11	28	1
31	12	29	1
32	13	30	1
33	14	31	1
34	15	32	1
35	17	33	1
36	21	34	1
37	21	35	1
38	21	36	1
39	24	37	1
40	24	38	1
41	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1