@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3798
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     2.1127     0.9679    -2.8177	Cl	1	noname	-0.0790
2	C1     2.2457     2.1470    -1.6047	C.2	1	noname	-0.0112
3	C2     1.5046     2.0830    -0.3946	C.2	1	noname	0.0085
4	C3     3.1007     3.2400    -1.8486	C.2	1	noname	-0.0286
5	N1     0.6736     1.0410    -0.0836	N.3	1	noname	-0.0168
6	C4     1.6356     3.1351     0.5384	C.2	1	noname	-0.0455
7	C5     3.2226     4.2731    -0.9056	C.2	1	noname	-0.0758
8	C6    -0.6404     1.0901     0.2084	C.2	1	noname	-0.0471
9	C7     1.0326    -0.2568     0.0294	C.2	1	noname	-0.0318
10	C8     2.4875     4.2221     0.2874	C.2	1	noname	-0.0582
11	C9    -1.0544    -0.2098     0.4904	C.2	1	noname	0.0113
12	C10    -1.5564     2.1591     0.2514	C.2	1	noname	-0.0304
13	N2    -0.0074    -1.0368     0.3774	N.2	1	noname	-0.2287
14	C11    -2.3855    -0.4958     0.8305	C.2	1	noname	-0.0105
15	C12    -2.8965     1.8862     0.5914	C.2	1	noname	-0.0469
16	C13    -3.3085     0.5672     0.8795	C.2	1	noname	-0.0439
17	H1     3.6366     3.2971    -2.7166	H	1	noname	0.0638
18	H2     1.1125     3.1071     1.4144	H	1	noname	0.0643
19	H3     3.8436     5.0621    -1.0895	H	1	noname	0.0623
20	H4     1.9795    -0.6118    -0.1215	H	1	noname	0.1019
21	H5     2.5735     4.9732     0.9735	H	1	noname	0.0623
22	H6    -1.2594     3.1112     0.0385	H	1	noname	0.0643
23	H7    -2.6775    -1.4518     1.0365	H	1	noname	0.0645
24	H8    -3.5745     2.6482     0.6285	H	1	noname	0.0623
25	H9    -4.2816     0.3832     1.1246	H	1	noname	0.0623
@<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	4	17	1
8	5	8	1
9	5	9	1
10	6	10	2
11	6	18	1
12	7	10	1
13	7	19	1
14	8	11	2
15	8	12	1
16	9	13	2
17	9	20	1
18	10	21	1
19	11	14	1
20	11	13	1
21	12	15	2
22	12	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