@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3624
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     7.1249     6.3315     2.2831	Br	1	noname	-0.0507
2	C1     5.9598     6.2755     0.8322	C.2	1	noname	-0.0249
3	C2     4.8478     5.4115     0.8512	C.2	1	noname	-0.0324
4	C3     6.1848     7.0995    -0.2857	C.2	1	noname	-0.0570
5	C4     3.9657     5.3526    -0.2497	C.2	1	noname	-0.0232
6	C5     5.3007     7.0596    -1.3767	C.2	1	noname	-0.0547
7	N1     2.8646     4.5576    -0.2806	N.3	1	noname	0.0063
8	C6     4.1956     6.1926    -1.3556	C.2	1	noname	-0.0552
9	C7     2.7776     3.2607     0.1293	C.2	1	noname	0.0490
10	N2     3.8645     2.6137     0.6264	N.2	1	noname	-0.2291
11	C8     1.5535     2.5627     0.0284	C.2	1	noname	-0.0013
12	C9     3.8285     1.3277     1.0404	C.2	1	noname	0.0528
13	C10     1.5405     1.2078     0.4704	C.2	1	noname	0.0567
14	C11     0.3685     3.1448    -0.4845	C.2	1	noname	0.0101
15	N3     2.6684     0.6398     0.9584	N.2	1	noname	-0.2392
16	C12     0.3604     0.4388     0.4074	C.2	1	noname	0.0175
17	C13    -0.7895     2.3548    -0.5384	C.2	1	noname	0.0073
18	C14    -0.8015     1.0379    -0.1054	C.2	1	noname	-0.0334
19	C15    -2.0775     2.6149    -0.9754	C.2	1	noname	0.0279
20	N4    -2.0476     0.5659    -0.2864	N.3	1	noname	-0.0076
21	N5    -2.8036     1.4939    -0.8003	N.2	1	noname	-0.2910
22	C16    -2.4987    -0.7410     0.0266	C.3	1	noname	-0.0335
23	H1     4.6747     4.8246     1.6692	H	1	noname	0.0651
24	H2     6.9857     7.7326    -0.3117	H	1	noname	0.0634
25	H3     5.4617     7.6617    -2.1846	H	1	noname	0.0623
26	H4     2.0696     4.9427    -0.6776	H	1	noname	0.1357
27	H5     3.5586     6.1727    -2.1536	H	1	noname	0.0639
28	H6     4.6685     0.8818     1.4095	H	1	noname	0.1062
29	H7     0.3444     4.1118    -0.8105	H	1	noname	0.0638
30	H8     0.3484    -0.5311     0.7245	H	1	noname	0.0666
31	H9    -2.4186     3.4959    -1.3603	H	1	noname	0.0863
32	H10    -3.5547    -0.8429    -0.2303	H	1	noname	0.0453
33	H11    -1.9247    -1.4759    -0.5383	H	1	noname	0.0453
34	H12    -2.3747    -0.9289     1.0936	H	1	noname	0.0453
@<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	1
19	11	14	2
20	12	15	2
21	12	28	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	29	1
26	16	18	1
27	16	30	1
28	17	19	1
29	17	18	2
30	18	20	1
31	19	21	2
32	19	31	1
33	20	22	1
34	20	21	1
35	22	32	1
36	22	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1