@<TRIPOS>MOLECULE
DB03176
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.8755     0.3646    -2.6388	Cl	1	noname	-0.0675
2	C1     1.5151     0.5932    -1.6678	C.2	1	noname	0.0313
3	C2     1.4714     0.0430    -0.3920	C.2	1	noname	0.0628
4	C3     0.4378     1.3316    -2.1434	C.2	1	noname	-0.0113
5	O1     2.5177    -0.6742     0.0699	O.3	1	noname	-0.1931
6	C4     0.3505     0.2313     0.4081	C.2	1	noname	0.0313
7	C5    -0.6831     1.5200    -1.3432	C.2	1	noname	-0.0395
8	C6     2.3489    -1.9745    -0.2515	C.2	1	noname	-0.0104
9	Cl2     0.2976    -0.4364     1.9564	Cl	1	noname	-0.0675
10	C7    -0.7268     0.9698    -0.0675	C.2	1	noname	-0.0113
11	C8    -1.8147     2.2956    -1.8428	C.3	1	noname	0.0587
12	C9     3.3047    -2.9123     0.1213	C.2	1	noname	-0.0176
13	C10     1.2192    -2.3755    -0.9551	C.2	1	noname	-0.0224
14	C11    -2.7516     1.4065    -2.5234	C.2	1	noname	0.1371
15	C12     3.1309    -4.2511    -0.2096	C.2	1	noname	-0.0160
16	C13     1.0453    -3.7143    -1.2860	C.2	1	noname	-0.0220
17	O2    -3.9283     1.3066    -2.1136	O.2	1	noname	-0.2544
18	O3    -2.3472     0.6924    -3.5952	O.3	1	noname	-0.2177
19	C14     2.0012    -4.6521    -0.9132	C.2	1	noname	-0.0129
20	C15     4.1349    -5.2362     0.1819	C.3	1	noname	0.0228
21	O4     1.8324    -5.9524    -1.2346	O.3	1	noname	-0.2875
22	C16     3.7879    -5.7971     1.5624	C.3	1	noname	-0.0586
23	C17     5.5108    -4.5691     0.2336	C.3	1	noname	-0.0586
24	H1     0.4720     1.7631    -3.1438	H	1	noname	0.0642
25	H2    -1.6057     1.1175     0.5600	H	1	noname	0.0642
26	H3    -2.3342     2.6919    -0.9703	H	1	noname	0.0422
27	H4    -1.4210     2.9757    -2.5982	H	1	noname	0.0422
28	H5     4.1906    -2.5979     0.6730	H	1	noname	0.0654
29	H6     0.4696    -1.6401    -1.2474	H	1	noname	0.0651
30	H7     0.1595    -4.0287    -1.8378	H	1	noname	0.0651
31	H8    -2.4203    -0.2450    -3.4013	H	1	noname	0.2213
32	H9     4.1169    -6.0249    -0.5703	H	1	noname	0.0347
33	H10     1.7646    -6.4743    -0.4317	H	1	noname	0.2182
34	H11     3.7973    -6.8864     1.5249	H	1	noname	0.0236
35	H12     4.5227    -5.4522     2.2899	H	1	noname	0.0236
36	H13     2.7964    -5.4522     1.8560	H	1	noname	0.0236
37	H14     5.8064    -4.4259     1.2729	H	1	noname	0.0236
38	H15     6.2415    -5.2040    -0.2677	H	1	noname	0.0236
39	H16     5.4650    -3.6023    -0.2677	H	1	noname	0.0236
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	1
8	6	9	1
9	6	10	2
10	7	11	1
11	7	10	1
12	8	12	2
13	8	13	1
14	11	14	1
15	12	15	1
16	13	16	2
17	14	17	2
18	14	18	1
19	15	19	2
20	15	20	1
21	16	19	1
22	19	21	1
23	20	22	1
24	20	23	1
25	4	24	1
26	10	25	1
27	11	26	1
28	11	27	1
29	12	28	1
30	13	29	1
31	16	30	1
32	18	31	1
33	20	32	1
34	21	33	1
35	22	34	1
36	22	35	1
37	22	36	1
38	23	37	1
39	23	38	1
40	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1