@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442788
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     4.0222   -16.5104    -3.4969	Cl	1	noname	-0.0895
2	C1     5.4721   -16.0864    -2.7349	C.2	1	noname	-0.0275
3	C2     5.8340   -16.6953    -1.5179	C.2	1	noname	-0.0248
4	C3     6.3200   -15.1244    -3.3148	C.2	1	noname	-0.0248
5	C4     7.0379   -16.3433    -0.8859	C.2	1	noname	-0.0367
6	C5     7.5239   -14.7734    -2.6808	C.2	1	noname	-0.0367
7	C6     7.8918   -15.3813    -1.4628	C.2	1	noname	-0.0204
8	N1     9.0657   -15.0373    -0.8438	N.3	1	noname	0.0688
9	C7     9.0237   -14.0033     0.0781	C.2	1	noname	0.0430
10	C8    10.2636   -15.7042    -1.1318	C.2	1	noname	-0.0063
11	N2     7.8977   -13.3653     0.3561	N.2	1	noname	-0.1410
12	C9    10.2116   -13.6093     0.7491	C.2	1	noname	0.0656
13	C10    11.4755   -15.3292    -0.4758	C.2	1	noname	0.0015
14	C11    10.3206   -16.7611    -2.0727	C.2	1	noname	-0.0431
15	C12     7.8027   -12.3713     1.2281	C.2	1	noname	0.1143
16	C13    10.1095   -12.5483     1.6821	C.2	1	noname	0.0818
17	C14    11.4095   -14.2702     0.4671	C.2	1	noname	0.0216
18	C15    12.7074   -15.9941    -0.7587	C.2	1	noname	0.0012
19	C16    11.5185   -17.4211    -2.3596	C.2	1	noname	-0.0511
20	O1     6.7027   -11.8173     1.4361	O.2	1	noname	-0.2481
21	N3     8.9066   -11.9573     1.8961	N.3	1	noname	0.1044
22	O2    11.0995   -12.1313     2.3211	O.2	1	noname	-0.2831
23	C17    12.6954   -17.0400    -1.7086	C.2	1	noname	-0.0385
24	C18    13.9993   -15.6301    -0.0947	C.3	1	noname	0.4167
25	F1    15.0873   -16.3740    -0.4946	F	1	noname	-0.1661
26	F2    14.3293   -14.3241    -0.3646	F	1	noname	-0.1661
27	F3    13.9103   -15.8090     1.2652	F	1	noname	-0.1661
28	H1     5.2270   -17.3932    -1.0859	H	1	noname	0.0638
29	H2     6.0690   -14.6754    -4.1958	H	1	noname	0.0638
30	H3     7.2939   -16.7872    -0.0029	H	1	noname	0.0640
31	H4     8.1338   -14.0744    -3.1058	H	1	noname	0.0640
32	H5     9.4806   -17.0651    -2.5656	H	1	noname	0.0639
33	H6    12.2484   -13.9681     0.9621	H	1	noname	0.0638
34	H7    11.5334   -18.1790    -3.0425	H	1	noname	0.0623
35	H8     8.8365   -11.2303     2.5331	H	1	noname	0.1424
36	H9    13.5543   -17.5400    -1.9386	H	1	noname	0.0629
@<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	2
9	5	30	1
10	6	7	1
11	6	31	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	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	32	1
26	15	20	2
27	15	21	1
28	16	22	2
29	16	21	1
30	17	33	1
31	18	23	2
32	18	24	1
33	19	23	1
34	19	34	1
35	21	35	1
36	23	36	1
37	24	25	1
38	24	26	1
39	24	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1