@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442784
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     0.1747   -22.4589    -5.0775	Cl	1	noname	-0.0835
2	C1     0.5527   -22.6049    -3.4355	C.2	1	noname	-0.0118
3	C2     1.5996   -21.8428    -2.8824	C.2	1	noname	-0.0141
4	C3    -0.1823   -23.4798    -2.6154	C.2	1	noname	-0.0410
5	C4     1.9425   -21.9758    -1.5184	C.2	1	noname	-0.0158
6	C5     0.1186   -23.5817    -1.2474	C.2	1	noname	-0.0501
7	N1     2.8775   -21.1427    -0.9614	N.3	1	noname	0.0752
8	C6     1.1635   -22.8207    -0.6984	C.2	1	noname	-0.0439
9	C7     2.3304   -19.9287    -0.5184	C.2	1	noname	0.0440
10	C8     4.2634   -21.4427    -0.8324	C.2	1	noname	0.0195
11	N2     1.0394   -19.6476    -0.6383	N.2	1	noname	-0.1410
12	C9     3.1553   -18.9457     0.0806	C.2	1	noname	0.0645
13	C10     5.0683   -20.4226    -0.2223	C.2	1	noname	-0.0230
14	C11     4.9543   -22.6496    -1.2413	C.2	1	noname	0.0022
15	C12     0.4643   -18.5206    -0.2403	C.2	1	noname	0.1143
16	C13     2.5523   -17.7376     0.5106	C.2	1	noname	0.0817
17	C14     4.5153   -19.2056     0.2216	C.2	1	noname	0.0134
18	C15     6.4532   -20.5676    -0.0263	C.2	1	noname	-0.0447
19	C16     6.3543   -22.7476    -1.0243	C.2	1	noname	-0.0245
20	C17     4.3423   -23.8595    -1.8922	C.3	1	noname	0.4176
21	O1    -0.7626   -18.3475    -0.3952	O.2	1	noname	-0.2481
22	N3     1.2203   -17.5575     0.3376	N.3	1	noname	0.1044
23	O2     3.2113   -16.8216     1.0497	O.2	1	noname	-0.2831
24	C18     7.0971   -21.7305    -0.4292	C.2	1	noname	-0.0636
25	F1     5.1972   -24.9005    -2.1862	F	1	noname	-0.1660
26	F2     3.4272   -24.4575    -1.0672	F	1	noname	-0.1660
27	F3     3.8192   -23.5555    -3.1202	F	1	noname	-0.1660
28	H1     2.1225   -21.1888    -3.4674	H	1	noname	0.0655
29	H2    -0.9463   -24.0357    -3.0034	H	1	noname	0.0638
30	H3    -0.4273   -24.2026    -0.6493	H	1	noname	0.0623
31	H4     1.3615   -22.8826     0.3016	H	1	noname	0.0639
32	H5     5.1122   -18.4956     0.6547	H	1	noname	0.0638
33	H6     7.0061   -19.8266     0.4107	H	1	noname	0.0629
34	H7     6.8702   -23.5815    -1.3022	H	1	noname	0.0629
35	H8     0.8042   -16.7325     0.6307	H	1	noname	0.1424
36	H9     8.1031   -21.8385    -0.2892	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	28	1
6	4	6	2
7	4	29	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	30	1
12	7	9	1
13	7	10	1
14	8	31	1
15	9	11	2
16	9	12	1
17	10	13	2
18	10	14	1
19	11	15	1
20	12	16	1
21	12	17	2
22	13	18	1
23	13	17	1
24	14	19	2
25	14	20	1
26	15	21	2
27	15	22	1
28	16	23	2
29	16	22	1
30	17	32	1
31	18	24	2
32	18	33	1
33	19	24	1
34	19	34	1
35	20	25	1
36	20	26	1
37	20	27	1
38	22	35	1
39	24	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1