@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3756
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.4403    -3.3497    -4.0560	Br	1	noname	-0.0507
2	C1     0.3185    -1.6708    -3.7929	C.2	1	noname	-0.0249
3	C2    -0.2484    -0.7768    -2.8629	C.2	1	noname	-0.0323
4	C3     1.4604    -1.2888    -4.5218	C.2	1	noname	-0.0569
5	C4     0.3274     0.4911    -2.6569	C.2	1	noname	-0.0232
6	C5     2.0323    -0.0198    -4.3227	C.2	1	noname	-0.0547
7	N1    -0.2285     1.3481    -1.7729	N.3	1	noname	0.0077
8	C6     1.4663     0.8691    -3.3928	C.2	1	noname	-0.0551
9	C7     0.1783     1.4771    -0.4859	C.2	1	noname	0.0430
10	N2     1.2032     0.7362     0.0220	N.2	1	noname	-0.2705
11	C8    -0.4496     2.3841     0.3820	C.2	1	noname	-0.0343
12	C9     1.6281     0.8403     1.3100	C.2	1	noname	0.0523
13	C10    -0.0007     2.4752     1.6980	C.2	1	noname	0.0913
14	C11    -1.4966     3.2931     0.2551	C.2	1	noname	-0.0235
15	N3     1.0211     1.7153     2.1520	N.2	1	noname	-0.2602
16	C12     2.7320     0.0054     1.7800	C.3	1	noname	0.0675
17	N4    -0.7307     3.3902     2.3570	N.3	1	noname	-0.0011
18	C13    -1.6396     3.8982     1.5080	C.2	1	noname	-0.0819
19	C14    -2.3296     3.6482    -0.8197	C.2	1	noname	-0.0346
20	C15    -2.6186     4.8791     1.7301	C.2	1	noname	-0.0436
21	C16    -3.3146     4.6332    -0.6057	C.2	1	noname	-0.0531
22	C17    -3.4586     5.2432     0.6592	C.2	1	noname	-0.0510
23	H1    -1.0774    -1.0457    -2.3309	H	1	noname	0.0651
24	H2     1.8803    -1.9257    -5.1997	H	1	noname	0.0634
25	H3     2.8592     0.2552    -4.8537	H	1	noname	0.0623
26	H4    -0.9705     1.8901    -2.0758	H	1	noname	0.1357
27	H5     1.8852     1.7891    -3.2528	H	1	noname	0.0639
28	H6     2.9459     0.2194     2.8270	H	1	noname	0.0312
29	H7     2.4610    -1.0454     1.6760	H	1	noname	0.0312
30	H8     3.6209     0.2094     1.1821	H	1	noname	0.0312
31	H9    -0.6187     3.6402     3.2870	H	1	noname	0.1543
32	H10    -2.2287     3.2113    -1.7356	H	1	noname	0.0629
33	H11    -2.7197     5.3181     2.6461	H	1	noname	0.0642
34	H12    -3.9306     4.9072    -1.3716	H	1	noname	0.0622
35	H13    -4.1766     5.9542     0.7993	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	23	1
6	4	6	2
7	4	24	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	25	1
12	7	9	1
13	7	26	1
14	8	27	1
15	9	10	2
16	9	11	1
17	10	12	1
18	11	13	2
19	11	14	1
20	12	15	2
21	12	16	1
22	13	17	1
23	13	15	1
24	14	18	2
25	14	19	1
26	16	28	1
27	16	29	1
28	16	30	1
29	17	18	1
30	17	31	1
31	18	20	1
32	19	21	2
33	19	32	1
34	20	22	2
35	20	33	1
36	21	22	1
37	21	34	1
38	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1