@<TRIPOS>MOLECULE
DB07489
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.2051    -1.7315     1.2892	Cl	1	noname	-0.0836
2	C1     0.4965    -0.6388     0.2123	C.2	1	noname	-0.0129
3	C2     1.8545    -0.2188     0.3818	C.2	1	noname	-0.0186
4	C3    -0.2550    -0.1152    -0.8866	C.2	1	noname	-0.0444
5	C4     2.4169     0.7352    -0.5338	C.2	1	noname	-0.0182
6	C5     0.3024     0.7971    -1.8419	C.2	1	noname	-0.0512
7	N1     3.6366     1.2246    -0.1609	N.3	1	noname	0.0671
8	C6     1.6586     1.2289    -1.6694	C.2	1	noname	-0.0483
9	C7     3.8660     2.5285     0.1504	C.2	1	noname	0.2448
10	S1     5.3441     3.3046     0.6950	S.3	1	noname	-0.1679
11	N2     2.9697     3.5468     0.1810	N.2	1	noname	-0.0005
12	C8     4.7404     4.9561     0.8897	C.2	1	noname	0.0647
13	C9     3.3973     4.7855     0.5432	C.2	1	noname	0.2242
14	C10     5.4160     6.1065     1.2800	C.2	1	noname	0.0928
15	N3     2.5482     5.8219     0.5673	N.3	1	noname	-0.0512
16	O1     4.8071     7.0127     1.8888	O.2	1	noname	-0.2851
17	C11     6.7686     6.2492     0.9932	C.2	1	noname	-0.0179
18	C12     7.4441     7.3996     1.3835	C.2	1	noname	0.0027
19	C13     7.4456     5.2416     0.3162	C.2	1	noname	0.0027
20	C14     8.7967     7.5424     1.0967	C.2	1	noname	0.0061
21	C15     8.7982     5.3843     0.0295	C.2	1	noname	0.0061
22	C16     9.4738     6.5347     0.4197	C.2	1	noname	0.0432
23	F1    10.7398     6.6683     0.1514	F	1	noname	-0.1632
24	H1     2.4536    -0.6209     1.1988	H	1	noname	0.0655
25	H2    -1.2942    -0.4237    -1.0006	H	1	noname	0.0638
26	H3    -0.2927     1.1550    -2.6821	H	1	noname	0.0623
27	H4     4.4158     0.5838    -0.1124	H	1	noname	0.1406
28	H5     2.1039     1.9182    -2.3867	H	1	noname	0.0639
29	H6     2.0025     3.3858    -0.0611	H	1	noname	0.2963
30	H7     2.9047     6.7668     0.5764	H	1	noname	0.1297
31	H8     1.5516     5.6581     0.5764	H	1	noname	0.1297
32	H9     6.9132     8.1898     1.9143	H	1	noname	0.0631
33	H10     6.9159     4.3394     0.0102	H	1	noname	0.0631
34	H11     9.3265     8.4445     1.4027	H	1	noname	0.0653
35	H12     9.3291     4.5941    -0.5014	H	1	noname	0.0653
@<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	1
7	5	8	2
8	6	8	1
9	7	9	1
10	9	10	1
11	9	11	2
12	10	12	1
13	11	13	1
14	12	14	1
15	12	13	2
16	13	15	1
17	14	16	2
18	14	17	1
19	17	18	2
20	17	19	1
21	18	20	1
22	19	21	2
23	20	22	2
24	21	22	1
25	22	23	1
26	3	24	1
27	4	25	1
28	6	26	1
29	7	27	1
30	8	28	1
31	11	29	1
32	15	30	1
33	15	31	1
34	18	32	1
35	19	33	1
36	20	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1