@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3824
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     4.3164     5.3754    -1.5841	Cl	1	noname	-0.0910
2	C1     3.2664     4.1305    -1.1281	C.2	1	noname	-0.0376
3	C2     3.6803     3.1596    -0.1991	C.2	1	noname	-0.0257
4	C3     1.9744     4.0576    -1.6780	C.2	1	noname	-0.0257
5	C4     2.8043     2.1267     0.1778	C.2	1	noname	-0.0428
6	C5     1.1034     3.0226    -1.2980	C.2	1	noname	-0.0428
7	C6     1.4993     2.0447    -0.3580	C.2	1	noname	-0.0172
8	N1     0.6543     1.0288     0.0099	N.3	1	noname	-0.0175
9	C7    -0.6695     1.0769     0.2700	C.2	1	noname	-0.0474
10	C8     1.0132    -0.2650     0.1830	C.2	1	noname	-0.0322
11	C9    -1.0826    -0.2169     0.5840	C.2	1	noname	0.0113
12	C10    -1.5946     2.1399     0.2960	C.2	1	noname	-0.0304
13	N2    -0.0306    -1.0409     0.5260	N.2	1	noname	-0.2288
14	C11    -2.4165    -0.5059     0.9070	C.2	1	noname	-0.0105
15	C12    -2.9385     1.8659     0.6190	C.2	1	noname	-0.0469
16	C13    -3.3475     0.5500     0.9191	C.2	1	noname	-0.0439
17	H1     4.6152     3.1966     0.2088	H	1	noname	0.0638
18	H2     1.6604     4.7516    -2.3589	H	1	noname	0.0638
19	H3     3.1213     1.4348     0.8579	H	1	noname	0.0643
20	H4     0.1774     2.9777    -1.7239	H	1	noname	0.0643
21	H5     1.9602    -0.6259     0.0550	H	1	noname	0.1019
22	H6    -1.3026     3.0958     0.0931	H	1	noname	0.0643
23	H7    -2.7046    -1.4588     1.1321	H	1	noname	0.0645
24	H8    -3.6196     2.6259     0.6391	H	1	noname	0.0623
25	H9    -4.3235     0.3641     1.1521	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	17	1
6	4	6	2
7	4	18	1
8	5	7	2
9	5	19	1
10	6	7	1
11	6	20	1
12	7	8	1
13	8	9	1
14	8	10	1
15	9	11	2
16	9	12	1
17	10	13	2
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