@<TRIPOS>MOLECULE
DB01324
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.4061     5.4934     1.3248	Cl	1	noname	-0.0585
2	C1     0.5232     4.0983     0.9783	C.2	1	noname	0.0802
3	C2     1.2018     2.8540     0.8283	C.2	1	noname	0.0353
4	C3    -0.8929     4.1770     0.8389	C.2	1	noname	0.0091
5	S1     2.9220     2.7933     1.0018	S	1	noname	-0.1174
6	C4     0.4805     1.6573     0.5368	C.2	1	noname	0.0884
7	C5    -1.6362     2.9988     0.5444	C.2	1	noname	0.0737
8	O1     3.3703     1.3013     1.3201	O.2	1	noname	-0.1985
9	O2     3.6083     3.2762    -0.3487	O.2	1	noname	-0.1985
10	N1     3.4084     3.8316     2.2999	N.3	1	noname	-0.0097
11	C6    -0.9372     1.7508     0.4152	C.2	1	noname	0.0299
12	N2    -2.9914     3.1072     0.4529	N.3	1	noname	-0.1093
13	S2    -1.9733     0.3331     0.2199	S	1	noname	-0.1082
14	C7    -3.9380     2.1048     0.0590	C.3	1	noname	0.0898
15	O3    -1.3388    -0.8446    -0.6675	O.2	1	noname	-0.1955
16	O4    -2.4148    -0.2261     1.6509	O.2	1	noname	-0.1955
17	N3    -3.4133     0.9107    -0.6213	N.3	1	noname	0.0190
18	C8    -4.7640     1.6779     1.2741	C.3	1	noname	0.0241
19	C9    -3.0689     1.2481    -2.0015	C.3	1	noname	0.0068
20	S3    -5.6406     3.1043     1.9350	S.3	1	noname	-0.1494
21	C10    -6.6123     2.6020     3.3645	C.3	1	noname	0.0895
22	C11    -7.3574     3.8145     3.9262	C.3	1	noname	0.3975
23	F1    -8.0976     3.4319     5.0150	F	1	noname	-0.1701
24	F2    -6.4523     4.7730     4.3028	F	1	noname	-0.1701
25	F3    -8.1901     4.3252     2.9642	F	1	noname	-0.1701
26	H1    -1.4042     5.1324     0.9568	H	1	noname	0.0656
27	H2     0.9949     0.7046     0.4113	H	1	noname	0.0657
28	H3     4.3693     4.1343     2.3715	H	1	noname	0.1404
29	H4     2.7311     4.1343     2.9853	H	1	noname	0.1404
30	H5    -3.3292     4.0256     0.7028	H	1	noname	0.1298
31	H6    -4.4838     2.6280    -0.7262	H	1	noname	0.0662
32	H7    -5.4824     0.9671     0.8658	H	1	noname	0.0410
33	H8    -4.0170     1.3447     1.9946	H	1	noname	0.0410
34	H9    -2.9259     0.3320    -2.5746	H	1	noname	0.0409
35	H10    -3.8755     1.8319    -2.4450	H	1	noname	0.0409
36	H11    -2.1485     1.8319    -2.0141	H	1	noname	0.0409
37	H12    -7.4089     1.9303     3.0444	H	1	noname	0.0473
38	H13    -5.9434     2.3079     4.1733	H	1	noname	0.0473
@<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	2
8	5	9	2
9	5	10	1
10	6	11	2
11	7	12	1
12	7	11	1
13	11	13	1
14	12	14	1
15	13	15	2
16	13	16	2
17	13	17	1
18	14	18	1
19	14	17	1
20	17	19	1
21	18	20	1
22	20	21	1
23	21	22	1
24	22	23	1
25	22	24	1
26	22	25	1
27	4	26	1
28	6	27	1
29	10	28	1
30	10	29	1
31	12	30	1
32	14	31	1
33	18	32	1
34	18	33	1
35	19	34	1
36	19	35	1
37	19	36	1
38	21	37	1
39	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1