@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3720
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.6915     3.9379     2.4489	Br	1	noname	-0.0507
2	C1     3.9344     4.3629     2.8930	C.2	1	noname	-0.0249
3	C2     2.8663     3.6670     2.2940	C.2	1	noname	-0.0323
4	C3     3.6683     5.3840     3.8241	C.2	1	noname	-0.0570
5	C4     1.5302     3.9760     2.6321	C.2	1	noname	-0.0232
6	C5     2.3412     5.7091     4.1502	C.2	1	noname	-0.0547
7	N1     0.4601     3.3571     2.0691	N.3	1	noname	0.0078
8	C6     1.2781     5.0111     3.5531	C.2	1	noname	-0.0552
9	C7     0.3120     2.0191     1.8531	C.2	1	noname	0.0600
10	N2     1.2830     1.1431     2.2212	N.2	1	noname	-0.2180
11	C8    -0.8670     1.5221     1.2542	C.2	1	noname	0.0186
12	C9     1.1760    -0.1918     2.0343	C.2	1	noname	0.0598
13	C10    -0.9521     0.1201     1.0692	C.2	1	noname	0.0110
14	C11    -1.9381     2.3412     0.8392	C.2	1	noname	-0.0003
15	N3     0.0599    -0.6908     1.4593	N.2	1	noname	-0.2369
16	C12    -2.1042    -0.4198     0.4752	C.2	1	noname	0.0392
17	C13    -3.0692     1.7502     0.2492	C.2	1	noname	0.0350
18	N4    -3.1102     0.4032     0.0892	N.2	1	noname	-0.2501
19	N5    -4.0963     2.5273    -0.1527	N.3	1	noname	-0.1012
20	C14    -5.2694     2.0013    -0.7586	C.3	1	noname	0.0875
21	C15    -6.1805     3.0654    -1.0736	C.2	1	noname	0.1423
22	O1    -6.5286     3.2705    -2.2256	O.2	1	noname	-0.2506
23	O2    -6.6576     3.8405    -0.1185	O.3	1	noname	-0.2148
24	H1     3.0562     2.9370     1.6070	H	1	noname	0.0651
25	H2     4.4333     5.8971     4.2642	H	1	noname	0.0634
26	H3     2.1491     6.4532     4.8213	H	1	noname	0.0623
27	H4    -0.2919     3.9232     1.8381	H	1	noname	0.1357
28	H5     0.3170     5.2572     3.7952	H	1	noname	0.0639
29	H6     1.9300    -0.8148     2.3243	H	1	noname	0.1062
30	H7    -1.9022     3.3543     0.9602	H	1	noname	0.0664
31	H8    -2.1862    -1.4268     0.3323	H	1	noname	0.0863
32	H9    -4.0364     3.4874    -0.0206	H	1	noname	0.1302
33	H10    -5.0015     1.4673    -1.6716	H	1	noname	0.0540
34	H11    -5.7615     1.3103    -0.0726	H	1	noname	0.0540
35	H12    -7.2737     4.5286    -0.4435	H	1	noname	0.2213
@<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	19	20	1
31	19	32	1
32	20	21	1
33	20	33	1
34	20	34	1
35	21	22	2
36	21	23	1
37	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1