@<TRIPOS>MOLECULE
DB00880
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.3724     5.3773     2.0897	Cl	1	noname	-0.0576
2	C1     0.6019     4.0028     1.4872	C.2	1	noname	0.0884
3	C2     1.3819     2.8453     1.1978	C.2	1	noname	0.0453
4	C3    -0.8156     4.0357     1.2827	C.2	1	noname	0.0195
5	S1     3.0943     2.8879     1.4404	S	1	noname	-0.1164
6	C4     0.7726     1.6575     0.7130	C.2	1	noname	0.0984
7	C5    -1.4398     2.8502     0.7782	C.2	1	noname	0.0847
8	O1     3.6869     1.4196     1.2951	O.2	1	noname	-0.1984
9	O2     3.7601     3.8381     0.3533	O.2	1	noname	-0.1984
10	N1     3.4378     3.4949     3.0258	N.3	1	noname	-0.0096
11	C6    -0.6449     1.6809     0.5302	C.2	1	noname	0.0428
12	N2    -2.8017     2.8290     0.5498	N.3	1	noname	0.0116
13	S2    -1.5480     0.2062     0.1748	S	1	noname	-0.0253
14	C7    -3.5453     1.8382     0.0242	C.2	1	noname	0.0123
15	O3    -0.9409    -0.6836    -1.0037	O.2	1	noname	-0.1691
16	O4    -1.6366    -0.6861     1.5118	O.2	1	noname	-0.1691
17	N3    -3.1210     0.6554    -0.2097	N.2	1	noname	-0.1050
18	H1    -1.3980     4.9303     1.5029	H	1	noname	0.0656
19	H2     1.3650     0.7698     0.4915	H	1	noname	0.0657
20	H3     4.3929     3.6719     3.3028	H	1	noname	0.1404
21	H4     2.6832     3.6719     3.6732	H	1	noname	0.1404
22	H5    -3.3275     3.6535     0.8024	H	1	noname	0.1352
23	H6    -4.5897     2.0098    -0.2366	H	1	noname	0.0988
@<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	17	2
19	4	18	1
20	6	19	1
21	10	20	1
22	10	21	1
23	12	22	1
24	14	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1