@<TRIPOS>MOLECULE
DB06986
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     0.1798     6.8759    -1.4706	Cl	1	noname	-0.0506
2	C1    -0.6230     5.5244    -0.8583	C.2	1	noname	0.0692
3	S1    -0.5994     4.8974     0.8023	S.3	1	noname	-0.1608
4	C2    -1.4701     4.6286    -1.5480	C.2	1	noname	0.0198
5	C3    -1.6562     3.5140     0.5605	C.2	1	noname	0.0538
6	C4    -1.9993     3.5805    -0.7681	C.2	1	noname	-0.0046
7	N1    -2.1871     2.4719     1.1973	N.3	1	noname	-0.0019
8	C5    -2.8364     2.5038    -1.0166	C.2	1	noname	0.0008
9	C6    -2.9037     1.8597     0.2248	C.2	1	noname	-0.0896
10	C7    -3.6367     0.6180     0.4140	C.2	1	noname	0.0076
11	O1    -3.6837    -0.3217    -0.4090	O.2	1	noname	-0.2906
12	N2    -4.3119     0.6341     1.7141	N.3	1	noname	-0.0685
13	C8    -4.9889    -0.6471     1.9398	C.3	1	noname	0.0486
14	C9    -5.3611    -0.7489     3.4263	C.3	1	noname	0.0954
15	C10    -6.3018    -0.8915     1.1466	C.3	1	noname	-0.0087
16	O2    -4.2608    -1.1555     4.2310	O.3	1	noname	-0.3866
17	C11    -6.4961    -1.6519     3.3979	C.2	1	noname	-0.0364
18	C12    -7.0622    -1.6987     2.0895	C.2	1	noname	-0.0407
19	C13    -7.1156    -2.2641     4.5249	C.2	1	noname	-0.0468
20	C14    -8.2891    -2.3714     1.8303	C.2	1	noname	-0.0528
21	C15    -8.3760    -2.8772     4.2794	C.2	1	noname	-0.0576
22	C16    -8.9492    -2.9319     2.9651	C.2	1	noname	-0.0593
23	H1    -1.6994     4.7384    -2.6079	H	1	noname	0.0654
24	H2    -2.0753     2.2129     2.1671	H	1	noname	0.1537
25	H3    -3.3209     2.2316    -1.9544	H	1	noname	0.0651
26	H4    -4.3109     1.4119     2.3584	H	1	noname	0.1318
27	H5    -4.2323    -1.3489     1.5889	H	1	noname	0.0503
28	H6    -5.6164     0.1646     3.9634	H	1	noname	0.0668
29	H7    -6.8306     0.0536     1.0227	H	1	noname	0.0333
30	H8    -6.0889    -1.5147     0.2781	H	1	noname	0.0333
31	H9    -4.4935    -1.0695     5.1584	H	1	noname	0.2109
32	H10    -6.6545    -2.2634     5.5125	H	1	noname	0.0626
33	H11    -8.6985    -2.4525     0.8234	H	1	noname	0.0625
34	H12    -8.9155    -3.3157     5.1189	H	1	noname	0.0622
35	H13    -9.9164    -3.4144     2.8244	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	1
5	4	6	1
6	5	7	1
7	5	6	2
8	6	8	1
9	7	9	1
10	8	9	2
11	9	10	1
12	10	11	2
13	10	12	1
14	13	12	1
15	13	14	1
16	13	15	1
17	14	16	1
18	14	17	1
19	15	18	1
20	17	19	1
21	17	18	2
22	18	20	1
23	19	21	2
24	20	22	2
25	21	22	1
26	4	23	1
27	7	24	1
28	8	25	1
29	12	26	1
30	13	27	1
31	14	28	1
32	15	29	1
33	15	30	1
34	16	31	1
35	19	32	1
36	20	33	1
37	21	34	1
38	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1