@<TRIPOS>MOLECULE
DB00999
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     0.4819     6.1304    -0.8761	Cl	1	noname	-0.0586
2	C1    -0.1989     4.6563    -0.4184	C.2	1	noname	0.0798
3	C2    -1.4147     4.6422     0.3252	C.2	1	noname	0.0349
4	C3     0.4480     3.4390    -0.7796	C.2	1	noname	0.0087
5	S1    -2.1734     6.1380     0.7494	S	1	noname	-0.1174
6	C4    -2.0144     3.4101     0.7245	C.2	1	noname	0.0879
7	C5    -0.1270     2.1958    -0.3906	C.2	1	noname	0.0732
8	O1    -3.7024     5.8764     1.0988	O.2	1	noname	-0.1985
9	O2    -1.4405     6.7642     2.0139	O.2	1	noname	-0.1985
10	N1    -2.0660     7.2384    -0.5838	N.3	1	noname	-0.0097
11	C6    -1.3622     2.2009     0.3423	C.2	1	noname	0.0294
12	N2     0.5017     1.0526    -0.7840	N.3	1	noname	-0.1118
13	S2    -2.0693     0.6062     0.6223	S	1	noname	-0.1119
14	C7     0.1893    -0.3006    -0.4274	C.3	1	noname	0.0667
15	O3    -2.9009     0.4714     1.9887	O.2	1	noname	-0.1967
16	O4    -2.9758     0.1807    -0.6237	O.2	1	noname	-0.1967
17	N3    -0.7033    -0.5067     0.7237	N.3	1	noname	0.0093
18	H1     1.3768     3.4586    -1.3498	H	1	noname	0.0656
19	H2    -2.9389     3.3931     1.3016	H	1	noname	0.0657
20	H3    -2.9065     7.5592    -1.0428	H	1	noname	0.1404
21	H4    -1.1628     7.5592    -0.9022	H	1	noname	0.1404
22	H5     1.2798     1.2264    -1.4040	H	1	noname	0.1295
23	H6    -0.3491    -0.6934    -1.2899	H	1	noname	0.0613
24	H7     1.1461    -0.7352    -0.1381	H	1	noname	0.0613
25	H8    -0.4488    -1.2155     1.3967	H	1	noname	0.1458
@<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	1
19	4	18	1
20	6	19	1
21	10	20	1
22	10	21	1
23	12	22	1
24	14	23	1
25	14	24	1
26	17	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1