@<TRIPOS>MOLECULE
DB01021
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     0.4901     0.5789    -3.6033	Cl	1	noname	-0.0586
2	C1    -0.9962     1.2268    -3.1372	C.2	1	noname	0.0800
3	C2    -1.9939     1.4817    -4.1225	C.2	1	noname	0.0353
4	C3    -1.2401     1.5131    -1.7626	C.2	1	noname	0.0091
5	S1    -1.6650     1.1246    -5.7830	S	1	noname	-0.1173
6	C4    -3.2609     2.0278    -3.7570	C.2	1	noname	0.0881
7	C5    -2.4943     2.0618    -1.3713	C.2	1	noname	0.0735
8	O1    -3.0339     1.0325    -6.5865	O.2	1	noname	-0.1985
9	O2    -0.7623     2.2768    -6.4041	O.2	1	noname	-0.1985
10	N1    -0.8277    -0.3875    -5.8935	N.3	1	noname	-0.0097
11	C6    -3.4942     2.2946    -2.3757	C.2	1	noname	0.0299
12	N2    -2.7034     2.2898    -0.0443	N.3	1	noname	-0.1084
13	S2    -5.0652     2.8148    -1.7569	S	1	noname	-0.1106
14	C7    -3.8219     2.9332     0.5809	C.3	1	noname	0.1086
15	O3    -5.8830     3.7892    -2.7360	O.2	1	noname	-0.1964
16	O4    -5.9528     1.5423    -1.3717	O.2	1	noname	-0.1964
17	N3    -4.7176     3.7192    -0.2817	N.3	1	noname	0.0130
18	C8    -4.6391     1.8969     1.3550	C.3	1	noname	0.1372
19	Cl2    -3.6282     1.1538     2.5850	Cl	1	noname	-0.1020
20	Cl3    -6.0097     2.6853     2.1211	Cl	1	noname	-0.1020
21	H1    -0.4721     1.3136    -1.0153	H	1	noname	0.0656
22	H2    -4.0244     2.2340    -4.5072	H	1	noname	0.0657
23	H3    -1.3489    -1.2521    -5.9257	H	1	noname	0.1404
24	H4     0.1816    -0.4048    -5.9257	H	1	noname	0.1404
25	H5    -1.9515     1.9463     0.5359	H	1	noname	0.1299
26	H6    -3.3193     3.6890     1.1845	H	1	noname	0.0680
27	H7    -5.0121     4.6275     0.0474	H	1	noname	0.1462
28	H8    -4.9334     1.2013     0.5691	H	1	noname	0.0675
@<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	18	19	1
21	18	20	1
22	4	21	1
23	6	22	1
24	10	23	1
25	10	24	1
26	12	25	1
27	14	26	1
28	17	27	1
29	18	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1