@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3549
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.6823     4.7191    -1.3093	Br	1	noname	-0.0507
2	C1     4.3363     4.9151    -0.0372	C.2	1	noname	-0.0249
3	C2     3.1672     4.1342    -0.1192	C.2	1	noname	-0.0323
4	C3     4.4822     5.8472     1.0057	C.2	1	noname	-0.0570
5	C4     2.1452     4.2702     0.8458	C.2	1	noname	-0.0232
6	C5     3.4612     6.0002     1.9598	C.2	1	noname	-0.0547
7	N1     0.9851     3.5652     0.7978	N.3	1	noname	0.0082
8	C6     2.2971     5.2182     1.8758	C.2	1	noname	-0.0552
9	C7     0.8491     2.2333     0.5478	C.2	1	noname	0.0619
10	N2     1.9400     1.4513     0.3339	N.2	1	noname	-0.2517
11	C8    -0.4319     1.6394     0.5199	C.2	1	noname	-0.0285
12	C9     1.8530     0.1254     0.0879	C.2	1	noname	0.0669
13	C10    -0.4969     0.2534     0.2569	C.2	1	noname	0.0788
14	C11    -1.6309     2.3494     0.7319	C.2	1	noname	0.0556
15	N3     0.6350    -0.4595     0.0510	N.2	1	noname	-0.2608
16	C12    -1.7410    -0.3935     0.2070	C.2	1	noname	0.0186
17	C13    -2.8959     1.7134     0.6860	C.2	1	noname	0.0384
18	C14    -2.9430     0.3185     0.4170	C.2	1	noname	0.0702
19	N4    -4.0210     2.4745     0.9020	N.2	1	noname	-0.0119
20	N5    -4.1390    -0.3294     0.3591	N.3	1	noname	-0.1242
21	O1    -5.1360     2.0265     0.8790	O.2	1	noname	-0.1434
22	O2    -3.9580     3.6575     1.1321	O.3	1	noname	-0.1434
23	C15    -4.3171    -1.7143     0.0951	C.3	1	noname	-0.0115
24	H1     3.0532     3.4682    -0.8842	H	1	noname	0.0651
25	H2     5.3242     6.4212     1.0768	H	1	noname	0.0634
26	H3     3.5652     6.6802     2.7128	H	1	noname	0.0623
27	H4     0.1751     4.0573     1.0028	H	1	noname	0.1357
28	H5     1.5591     5.3403     2.5709	H	1	noname	0.0639
29	H6     2.6960    -0.4275    -0.0689	H	1	noname	0.1062
30	H7    -1.5900     3.3514     0.9240	H	1	noname	0.0655
31	H8    -1.7650    -1.3944     0.0150	H	1	noname	0.0663
32	H9    -4.9451     0.1886     0.5091	H	1	noname	0.1278
33	H10    -5.3831    -1.9433     0.1122	H	1	noname	0.0395
34	H11    -3.9181    -1.9653    -0.8887	H	1	noname	0.0395
35	H12    -3.8161    -2.3123     0.8581	H	1	noname	0.0395
@<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	2
23	13	15	1
24	14	17	1
25	14	30	1
26	16	18	1
27	16	31	1
28	17	19	1
29	17	18	2
30	18	20	1
31	19	21	2
32	19	22	1
33	20	23	1
34	20	32	1
35	23	33	1
36	23	34	1
37	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1