@<TRIPOS>MOLECULE
DB07115
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.6864    -0.3888    -1.3678	Cl	1	noname	-0.0846
2	C1    -1.4526     0.6673    -0.9111	C.2	1	noname	-0.0123
3	C2    -0.6278     1.2317    -1.8770	C.2	1	noname	-0.0247
4	C3    -1.2609     0.9729     0.4313	C.2	1	noname	-0.0247
5	C4     0.3887     2.1019    -1.5007	C.2	1	noname	-0.0423
6	C5    -0.2444     1.8430     0.8077	C.2	1	noname	-0.0423
7	C6     0.5804     2.4075    -0.1583	C.2	1	noname	-0.0440
8	C7     1.6482     3.3215     0.2370	C.3	1	noname	0.0413
9	N1     1.1371     4.6912     0.2504	N.3	1	noname	0.0091
10	S1     2.4038     5.7754     0.7194	S	1	noname	-0.1102
11	C8     0.6609     5.0468    -1.0853	C.3	1	noname	0.0054
12	O1     3.2896     6.1366    -0.5507	O.2	1	noname	-0.1971
13	O2     3.3155     5.0804     1.8211	O.2	1	noname	-0.1971
14	C9     1.7132     7.2216     1.3709	C.2	1	noname	0.0458
15	C10     1.0692     8.1235     0.5319	C.2	1	noname	0.0371
16	C11     1.8023     7.4816     2.7335	C.2	1	noname	0.0371
17	C12     0.5144     9.2854     1.0554	C.2	1	noname	0.0365
18	C13     1.2474     8.6436     3.2570	C.2	1	noname	0.0365
19	C14     0.6035     9.5455     2.4180	C.2	1	noname	0.0461
20	S2    -0.0871    10.9917     3.0695	S	1	noname	-0.1174
21	O3    -0.6373    11.8971     1.8839	O.2	1	noname	-0.1993
22	O4     1.0242    11.7928     3.8765	O.2	1	noname	-0.1993
23	N2    -1.3898    10.5805     4.1343	N.3	1	noname	-0.0104
24	H1    -0.7782     0.9921    -2.9297	H	1	noname	0.0638
25	H2    -1.9077     0.5303     1.1888	H	1	noname	0.0638
26	H3     1.0355     2.5445    -2.2582	H	1	noname	0.0626
27	H4    -0.0940     2.0827     1.8603	H	1	noname	0.0626
28	H5     1.9100     3.0727     1.2654	H	1	noname	0.0495
29	H6     2.4064     3.2757    -0.5447	H	1	noname	0.0495
30	H7     0.4587     4.1383    -1.6527	H	1	noname	0.0408
31	H8    -0.2537     5.6335    -1.0007	H	1	noname	0.0408
32	H9     1.4229     5.6335    -1.5984	H	1	noname	0.0408
33	H10     0.9994     7.9195    -0.5366	H	1	noname	0.0639
34	H11     2.3073     6.7744     3.3914	H	1	noname	0.0639
35	H12     0.0094     9.9927     0.3975	H	1	noname	0.0639
36	H13     1.3173     8.8475     4.3255	H	1	noname	0.0639
37	H14    -2.0329    11.2947     4.4448	H	1	noname	0.1404
38	H15    -1.5064     9.6265     4.4448	H	1	noname	0.1404
@<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	7	1
8	7	8	1
9	8	9	1
10	9	10	1
11	9	11	1
12	10	12	2
13	10	13	2
14	10	14	1
15	14	15	2
16	14	16	1
17	15	17	1
18	16	18	2
19	17	19	2
20	18	19	1
21	19	20	1
22	20	21	2
23	20	22	2
24	20	23	1
25	3	24	1
26	4	25	1
27	5	26	1
28	6	27	1
29	8	28	1
30	8	29	1
31	11	30	1
32	11	31	1
33	11	32	1
34	15	33	1
35	16	34	1
36	17	35	1
37	18	36	1
38	23	37	1
39	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1