@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3781
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     6.2967    -2.2457    -0.3590	Br	1	noname	-0.0507
2	C1     5.5257    -0.7158     0.3699	C.2	1	noname	-0.0248
3	C2     4.1758    -0.4107     0.1099	C.2	1	noname	-0.0320
4	C3     6.2906     0.1411     1.1819	C.2	1	noname	-0.0567
5	C4     3.5818     0.7421     0.6660	C.2	1	noname	-0.0232
6	C5     5.7106     1.2990     1.7238	C.2	1	noname	-0.0547
7	N1     2.2938     1.1021     0.4310	N.3	1	noname	0.0125
8	C6     4.3636     1.6001     1.4630	C.2	1	noname	-0.0549
9	C7     1.2149     0.2802     0.4071	C.2	1	noname	0.0767
10	N2     1.2918    -1.0595     0.6291	N.2	1	noname	-0.2204
11	C8    -0.0460     0.8392     0.1561	C.2	1	noname	0.0277
12	C9     0.2008    -1.8664     0.6111	C.2	1	noname	0.0638
13	S1    -0.3860     2.5121    -0.1467	S.3	1	noname	-0.1977
14	C10    -1.1560    -0.0056     0.1442	C.2	1	noname	0.0776
15	N3    -1.0220    -1.3344     0.3682	N.2	1	noname	-0.2305
16	C11    -2.0540     2.0612    -0.2916	C.2	1	noname	0.0444
17	C12    -2.3259     0.6983    -0.1156	C.2	1	noname	0.0559
18	C13    -3.0929     2.9642    -0.5645	C.2	1	noname	-0.0209
19	C14    -3.6419     0.1974    -0.2046	C.2	1	noname	0.0362
20	C15    -4.4109     2.4843    -0.6585	C.2	1	noname	-0.0362
21	O1    -3.8509    -1.1413    -0.0215	O.3	1	noname	-0.2712
22	C16    -4.6829     1.1144    -0.4805	C.2	1	noname	-0.0112
23	C17    -5.1509    -1.7352    -0.0605	C.3	1	noname	0.0423
24	H1     3.6227    -1.0236    -0.4909	H	1	noname	0.0651
25	H2     7.2705    -0.0687     1.3789	H	1	noname	0.0634
26	H3     6.2675     1.9231     2.3078	H	1	noname	0.0623
27	H4     2.1208     2.0501     0.3151	H	1	noname	0.1357
28	H5     3.9526     2.4461     1.8590	H	1	noname	0.0639
29	H6     0.2998    -2.8673     0.7812	H	1	noname	0.1062
30	H7    -2.8940     3.9572    -0.6925	H	1	noname	0.0637
31	H8    -5.1739     3.1323    -0.8564	H	1	noname	0.0624
32	H9    -5.6458     0.7874    -0.5535	H	1	noname	0.0650
33	H10    -5.0539    -2.8061     0.1165	H	1	noname	0.0535
34	H11    -5.7859    -1.3062     0.7144	H	1	noname	0.0535
35	H12    -5.6089    -1.5812    -1.0393	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	24	1
6	4	6	2
7	4	25	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	26	1
12	7	9	1
13	7	27	1
14	8	28	1
15	9	10	2
16	9	11	1
17	10	12	1
18	11	13	1
19	11	14	2
20	12	15	2
21	12	29	1
22	13	16	1
23	14	17	1
24	14	15	1
25	16	18	1
26	16	17	2
27	17	19	1
28	18	20	2
29	18	30	1
30	19	21	1
31	19	22	2
32	20	22	1
33	20	31	1
34	21	23	1
35	22	32	1
36	23	33	1
37	23	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1