@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3840
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.8177    -2.0246     1.5843	Cl	1	noname	-0.0672
2	C1    -2.3748    -0.4806     1.0513	C.2	1	noname	0.0360
3	C2    -1.0559    -0.1956     0.6524	C.2	1	noname	0.0353
4	C3    -3.3258     0.5603     1.0014	C.2	1	noname	-0.0114
5	N1     0.0200    -0.9925     0.6254	N.2	1	noname	-0.2203
6	C4    -0.6849     1.0733     0.2074	C.2	1	noname	-0.0395
7	C5    -2.9549     1.8492     0.5685	C.2	1	noname	-0.0368
8	C6     1.0299    -0.2285     0.1755	C.2	1	noname	-0.0330
9	N2     0.6299     1.0343    -0.0964	N.3	1	noname	-0.0175
10	C7    -1.6310     2.1173     0.1715	C.2	1	noname	-0.0290
11	C8     1.4338     2.0333    -0.5844	C.2	1	noname	-0.0236
12	C9     0.9828     2.9083    -1.5993	C.2	1	noname	-0.0547
13	C10     2.7527     2.1964    -0.1013	C.2	1	noname	-0.0547
14	C11     1.8157     3.9204    -2.1052	C.2	1	noname	-0.0619
15	C12     3.5887     3.2084    -0.6053	C.2	1	noname	-0.0619
16	C13     3.1186     4.0714    -1.6071	C.2	1	noname	-0.0850
17	H1    -4.2918     0.3883     1.2844	H	1	noname	0.0639
18	H2    -3.6509     2.5953     0.5445	H	1	noname	0.0623
19	H3     1.9818    -0.5764     0.0445	H	1	noname	0.1019
20	H4    -1.3670     3.0553    -0.1284	H	1	noname	0.0643
21	H5     0.0458     2.8014    -1.9882	H	1	noname	0.0642
22	H6     3.1087     1.5804     0.6296	H	1	noname	0.0642
23	H7     1.4747     4.5424    -2.8391	H	1	noname	0.0623
24	H8     4.5366     3.3145    -0.2422	H	1	noname	0.0623
25	H9     3.7255     4.8045    -1.9751	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	2
9	6	9	1
10	6	10	2
11	7	10	1
12	7	18	1
13	8	9	1
14	8	19	1
15	9	11	1
16	10	20	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