@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3870
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -1.1435     3.6977    -0.2638	Cl	1	noname	-0.0706
2	C1    -1.5365     2.1178     0.2022	C.2	1	noname	0.0165
3	C2    -0.6055     1.0498     0.2252	C.2	1	noname	-0.0205
4	C3    -2.8785     1.8468     0.5532	C.2	1	noname	-0.0138
5	N1     0.7172     0.9479    -0.0396	N.3	1	noname	-0.0105
6	C4    -1.0326    -0.2380     0.5553	C.2	1	noname	0.0187
7	C5    -3.2865     0.5439     0.9032	C.2	1	noname	-0.0336
8	C6     1.6162     1.9159    -0.3696	C.2	1	noname	-0.0234
9	C7     1.0482    -0.3529     0.1073	C.2	1	noname	-0.0327
10	N2    -0.0077    -1.0949     0.4773	N.2	1	noname	-0.2289
11	C8    -2.3625    -0.5149     0.9013	C.2	1	noname	-0.0084
12	C9     1.9731     2.9099     0.5653	C.2	1	noname	-0.0542
13	C10     2.2371     1.9100    -1.6355	C.2	1	noname	-0.0542
14	C11     2.9170     3.8959     0.2314	C.2	1	noname	-0.0618
15	C12     3.1820     2.8950    -1.9704	C.2	1	noname	-0.0618
16	C13     3.5199     3.8890    -1.0374	C.2	1	noname	-0.0846
17	H1    -3.5735     2.5948     0.5492	H	1	noname	0.0638
18	H2    -4.2605     0.3670     1.1513	H	1	noname	0.0623
19	H3     1.9871    -0.7329    -0.0275	H	1	noname	0.1019
20	H4    -2.6526    -1.4628     1.1434	H	1	noname	0.0645
21	H5     1.5421     2.9180     1.4914	H	1	noname	0.0642
22	H6     1.9980     1.1890    -2.3184	H	1	noname	0.0642
23	H7     3.1670     4.6149     0.9114	H	1	noname	0.0623
24	H8     3.6220     2.8871    -2.8904	H	1	noname	0.0623
25	H9     4.2059     4.6050    -1.2803	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	6	1
6	4	7	2
7	4	17	1
8	5	8	1
9	5	9	1
10	6	10	1
11	6	11	2
12	7	11	1
13	7	18	1
14	8	12	2
15	8	13	1
16	9	10	2
17	9	19	1
18	11	20	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