@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3546
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.7439     4.6818    -1.1469	Br	1	noname	-0.0507
2	C1     4.3858     4.8308     0.1181	C.2	1	noname	-0.0249
3	C2     3.1617     4.1638    -0.0768	C.2	1	noname	-0.0324
4	C3     4.5778     5.6139     1.2711	C.2	1	noname	-0.0571
5	C4     2.1297     4.2639     0.8822	C.2	1	noname	-0.0232
6	C5     3.5498     5.7309     2.2212	C.2	1	noname	-0.0547
7	N1     0.9226     3.6599     0.7312	N.3	1	noname	0.0027
8	C6     2.3296     5.0629     2.0233	C.2	1	noname	-0.0553
9	C7     0.7016     2.3719     0.3463	C.2	1	noname	0.0225
10	N2     1.7415     1.5409     0.0753	N.2	1	noname	-0.2452
11	C8    -0.6164     1.8749     0.2393	C.2	1	noname	-0.0138
12	C9     1.5725     0.2539    -0.3006	C.2	1	noname	0.0257
13	C10    -0.7675     0.5229    -0.1556	C.2	1	noname	0.0287
14	C11    -1.7685     2.6470     0.5003	C.2	1	noname	-0.0045
15	N3     0.3204    -0.2410    -0.4115	N.2	1	noname	-0.2551
16	C12    -2.0495    -0.0389    -0.2815	C.2	1	noname	0.0272
17	C13    -3.0486     2.0780     0.3724	C.2	1	noname	0.0143
18	C14    -3.2006     0.7320    -0.0175	C.2	1	noname	0.0274
19	N4    -4.1316     2.8311     0.6265	N.3	1	noname	-0.1416
20	O1    -4.4727     0.2381    -0.1194	O.3	1	noname	-0.2700
21	C15    -4.7497    -1.1118    -0.4994	C.3	1	noname	0.0424
22	H1     3.0147     3.6058    -0.9188	H	1	noname	0.0651
23	H2     5.4608     6.1049     1.4252	H	1	noname	0.0634
24	H3     3.6887     6.3030     3.0552	H	1	noname	0.0623
25	H4     0.1435     4.1870     0.9653	H	1	noname	0.1357
26	H5     1.5876     5.1560     2.7193	H	1	noname	0.0639
27	H6     2.3805    -0.3369    -0.4965	H	1	noname	0.1062
28	H7    -1.6825     3.6240     0.7844	H	1	noname	0.0648
29	H8    -2.1416    -1.0139    -0.5665	H	1	noname	0.0673
30	H9    -5.0167     2.4421     0.5385	H	1	noname	0.1243
31	H10    -4.0337     3.7581     0.8945	H	1	noname	0.1243
32	H11    -5.8298    -1.2628    -0.5024	H	1	noname	0.0535
33	H12    -4.3637    -1.3108    -1.5004	H	1	noname	0.0535
34	H13    -4.2997    -1.8058     0.2126	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	22	1
6	4	6	2
7	4	23	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	24	1
12	7	9	1
13	7	25	1
14	8	26	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	27	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	28	1
26	16	18	1
27	16	29	1
28	17	19	1
29	17	18	2
30	18	20	1
31	19	30	1
32	19	31	1
33	20	21	1
34	21	32	1
35	21	33	1
36	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1