@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442783
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     5.1147   -21.3723    -4.9381	Cl	1	noname	-0.0721
2	C1     5.5557   -21.9203    -3.3930	C.2	1	noname	0.0200
3	C2     4.6777   -22.6332    -2.5379	C.2	1	noname	0.0030
4	C3     6.8647   -21.6332    -2.9580	C.2	1	noname	-0.0054
5	Cl2     3.0826   -23.0342    -2.9609	Cl	1	noname	-0.0782
6	C4     5.1236   -23.0292    -1.2619	C.2	1	noname	-0.0172
7	C5     7.3286   -22.0762    -1.7019	C.2	1	noname	-0.0129
8	C6     6.4305   -22.7381    -0.8408	C.2	1	noname	-0.0354
9	N1     8.5626   -21.6871    -1.2469	N.3	1	noname	0.0751
10	C7     8.5365   -20.4441    -0.5968	C.2	1	noname	0.0439
11	C8     9.7625   -22.4381    -1.4038	C.2	1	noname	0.0195
12	N2     7.4195   -19.7430    -0.4508	N.2	1	noname	-0.1410
13	C9     9.7265   -19.8880    -0.0648	C.2	1	noname	0.0645
14	C10    10.9465   -21.8420    -0.8527	C.2	1	noname	-0.0230
15	C11     9.9295   -23.7251    -2.0488	C.2	1	noname	0.0022
16	C12     7.3325   -18.5660     0.1522	C.2	1	noname	0.1143
17	C13     9.6444   -18.6300     0.5822	C.2	1	noname	0.0817
18	C14    10.9165   -20.5950    -0.1997	C.2	1	noname	0.0134
19	C15    12.2084   -22.4580    -0.9267	C.2	1	noname	-0.0447
20	C16    11.2244   -24.3060    -2.0997	C.2	1	noname	-0.0245
21	C17     8.8534   -24.5530    -2.6957	C.3	1	noname	0.4176
22	O1     6.2324   -17.9809     0.2412	O.2	1	noname	-0.2481
23	N3     8.4474   -18.0019     0.6732	N.3	1	noname	0.1044
24	O2    10.6484   -18.0729     1.0782	O.2	1	noname	-0.2831
25	C18    12.3484   -23.6920    -1.5506	C.2	1	noname	-0.0636
26	F1     9.2464   -25.7549    -3.2457	F	1	noname	-0.1660
27	F2     7.9104   -24.9440    -1.7837	F	1	noname	-0.1660
28	F3     8.3054   -23.9070    -3.7717	F	1	noname	-0.1660
29	H1     7.4996   -21.1021    -3.5569	H	1	noname	0.0655
30	H2     4.4995   -23.5261    -0.6238	H	1	noname	0.0639
31	H3     6.7315   -23.0121     0.0952	H	1	noname	0.0640
32	H4    11.7764   -20.1939     0.1842	H	1	noname	0.0638
33	H5    13.0384   -22.0140    -0.5266	H	1	noname	0.0629
34	H6    11.3764   -25.2090    -2.5467	H	1	noname	0.0629
35	H7     8.3884   -17.1419     1.1152	H	1	noname	0.1424
36	H8    13.2623   -24.1409    -1.6065	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	29	1
8	6	8	2
9	6	30	1
10	7	9	1
11	7	8	1
12	8	31	1
13	9	10	1
14	9	11	1
15	10	12	2
16	10	13	1
17	11	14	2
18	11	15	1
19	12	16	1
20	13	17	1
21	13	18	2
22	14	19	1
23	14	18	1
24	15	20	2
25	15	21	1
26	16	22	2
27	16	23	1
28	17	24	2
29	17	23	1
30	18	32	1
31	19	25	2
32	19	33	1
33	20	25	1
34	20	34	1
35	21	26	1
36	21	27	1
37	21	28	1
38	23	35	1
39	25	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1