@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3849
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -4.9340     0.1759     1.2319	Cl	1	noname	-0.0814
2	C1    -3.3141     0.5099     0.8780	C.2	1	noname	0.0052
3	C2    -2.3642    -0.5329     0.8840	C.2	1	noname	0.0229
4	C3    -2.9152     1.8320     0.5820	C.2	1	noname	-0.0128
5	C4    -1.0292    -0.2229     0.5850	C.2	1	noname	0.0201
6	C5    -1.5692     2.1240     0.2840	C.2	1	noname	-0.0200
7	N1     0.0356    -1.0318     0.5481	N.2	1	noname	-0.2274
8	C6    -0.6293     1.0751     0.2761	C.2	1	noname	-0.0442
9	C7     1.0745    -0.2408     0.2231	C.2	1	noname	-0.0322
10	N2     0.6996     1.0472     0.0411	N.3	1	noname	-0.0174
11	C8     1.5355     2.0772    -0.3107	C.2	1	noname	-0.0236
12	C9     1.1425     3.0482    -1.2587	C.2	1	noname	-0.0547
13	C10     2.8275     2.1802     0.2542	C.2	1	noname	-0.0547
14	C11     2.0054     4.0973    -1.6206	C.2	1	noname	-0.0619
15	C12     3.6924     3.2282    -0.1036	C.2	1	noname	-0.0619
16	C13     3.2804     4.1884    -1.0406	C.2	1	noname	-0.0850
17	H1    -2.6312    -1.4939     1.1040	H	1	noname	0.0661
18	H2    -3.5992     2.5900     0.5851	H	1	noname	0.0638
19	H3    -1.2873     3.0840     0.0851	H	1	noname	0.0643
20	H4     2.0295    -0.5877     0.1142	H	1	noname	0.1019
21	H5     0.2274     2.9883    -1.7056	H	1	noname	0.0642
22	H6     3.1414     1.4933     0.9413	H	1	noname	0.0642
23	H7     1.7064     4.7903    -2.3076	H	1	noname	0.0623
24	H8     4.6184     3.2923     0.3193	H	1	noname	0.0623
25	H9     3.9073     4.9494    -1.3025	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	17	1
6	4	6	2
7	4	18	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	19	1
12	7	9	2
13	8	10	1
14	9	10	1
15	9	20	1
16	10	11	1
17	11	12	2
18	11	13	1
19	12	14	1
20	12	21	1
21	13	15	2
22	13	22	1
23	14	16	2
24	14	23	1
25	15	16	1
26	15	24	1
27	16	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1