@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442785
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    27.1711   -16.9659    -3.1494	Cl	1	noname	-0.0895
2	C1    28.7410   -16.6239    -2.6204	C.2	1	noname	-0.0272
3	C2    29.6219   -15.8989    -3.4433	C.2	1	noname	-0.0247
4	C3    29.1659   -17.0518    -1.3484	C.2	1	noname	-0.0247
5	C4    30.9267   -15.6178    -3.0033	C.2	1	noname	-0.0363
6	C5    30.4718   -16.7698    -0.9123	C.2	1	noname	-0.0363
7	C6    31.3796   -16.0888    -1.7513	C.2	1	noname	-0.0203
8	N1    32.6095   -15.7118    -1.2773	N.3	1	noname	0.0742
9	C7    32.5785   -14.4868    -0.5942	C.2	1	noname	0.0438
10	C8    33.8104   -16.4586    -1.4432	C.2	1	noname	0.0195
11	N2    31.4615   -13.7897    -0.4372	N.2	1	noname	-0.1410
12	C9    33.7644   -13.9457    -0.0382	C.2	1	noname	0.0645
13	C10    34.9913   -15.8766    -0.8712	C.2	1	noname	-0.0231
14	C11    33.9824   -17.7305    -2.1162	C.2	1	noname	0.0022
15	C12    31.3694   -12.6308     0.1997	C.2	1	noname	0.1143
16	C13    33.6783   -12.7078     0.6447	C.2	1	noname	0.0817
17	C14    34.9573   -14.6476    -0.1852	C.2	1	noname	0.0134
18	C15    36.2552   -16.4885    -0.9542	C.2	1	noname	-0.0447
19	C16    35.2782   -18.3074    -2.1761	C.2	1	noname	-0.0245
20	C17    32.9094   -18.5455    -2.7831	C.3	1	noname	0.4176
21	O1    30.2694   -12.0467     0.2968	O.2	1	noname	-0.2481
22	N3    32.4793   -12.0817     0.7457	N.3	1	noname	0.1044
23	O2    34.6782   -12.1647     1.1647	O.2	1	noname	-0.2831
24	C18    36.3991   -17.7054    -1.6091	C.2	1	noname	-0.0637
25	F1    33.3033   -19.7384    -3.3510	F	1	noname	-0.1660
26	F2    31.9614   -18.9524    -1.8831	F	1	noname	-0.1660
27	F3    32.3684   -17.8795    -3.8500	F	1	noname	-0.1660
28	H1    29.3198   -15.5669    -4.3602	H	1	noname	0.0638
29	H2    28.5309   -17.5607    -0.7324	H	1	noname	0.0638
30	H3    31.5516   -15.0738    -3.5982	H	1	noname	0.0640
31	H4    30.7647   -17.0647     0.0195	H	1	noname	0.0640
32	H5    35.8142   -14.2556     0.2147	H	1	noname	0.0638
33	H6    37.0821   -16.0535    -0.5391	H	1	noname	0.0629
34	H7    35.4332   -19.1994    -2.6440	H	1	noname	0.0629
35	H8    32.4173   -11.2348     1.2128	H	1	noname	0.1424
36	H9    37.3140   -18.1524    -1.6720	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	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	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