@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3535
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     3.7140     4.9541     5.3086	Br	1	noname	-0.0507
2	C1     3.2279     4.9982     3.5117	C.2	1	noname	-0.0249
3	C2     2.1269     4.2482     3.0588	C.2	1	noname	-0.0324
4	C3     3.9579     5.7852     2.6008	C.2	1	noname	-0.0571
5	C4     1.7548     4.2702     1.6969	C.2	1	noname	-0.0232
6	C5     3.5838     5.8242     1.2479	C.2	1	noname	-0.0547
7	N1     0.6848     3.5853     1.2179	N.3	1	noname	0.0030
8	C6     2.4838     5.0733     0.7999	C.2	1	noname	-0.0553
9	C7     0.3718     2.2854     1.4780	C.2	1	noname	0.0253
10	N2     1.1727     1.5255     2.2690	N.2	1	noname	-0.2378
11	C8    -0.7842     1.7035     0.9141	C.2	1	noname	-0.0064
12	C9     0.9096     0.2295     2.5501	C.2	1	noname	0.0282
13	C10    -1.0402     0.3446     1.2251	C.2	1	noname	0.0281
14	C11    -1.6812     2.3975     0.0721	C.2	1	noname	-0.0154
15	N3    -0.1953    -0.3463     2.0251	N.2	1	noname	-0.2487
16	C12    -2.1743    -0.2972     0.7012	C.2	1	noname	-0.0060
17	C13    -2.8193     1.7536    -0.4577	C.2	1	noname	-0.0195
18	C14    -3.0583     0.4047    -0.1347	C.2	1	noname	-0.0301
19	N4    -3.7083     2.3726    -1.2746	N.3	1	noname	-0.1467
20	C15    -3.5834     3.7067    -1.7445	C.3	1	noname	-0.0115
21	H1     1.5879     3.6853     3.7188	H	1	noname	0.0651
22	H2     4.7598     6.3342     2.9159	H	1	noname	0.0634
23	H3     4.1107     6.3982     0.5890	H	1	noname	0.0623
24	H4     0.1118     4.0594     0.5970	H	1	noname	0.1357
25	H5     2.2178     5.1104    -0.1849	H	1	noname	0.0639
26	H6     1.5366    -0.3064     3.1491	H	1	noname	0.1062
27	H7    -1.5083     3.3766    -0.1577	H	1	noname	0.0647
28	H8    -2.3593    -1.2752     0.9262	H	1	noname	0.0646
29	H9    -3.8784    -0.0722    -0.5096	H	1	noname	0.0640
30	H10    -4.4814     1.8647    -1.5676	H	1	noname	0.1277
31	H11    -4.4344     3.9377    -2.3855	H	1	noname	0.0395
32	H12    -3.5724     4.4037    -0.9055	H	1	noname	0.0395
33	H13    -2.6655     3.8168    -2.3245	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	21	1
6	4	6	2
7	4	22	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	23	1
12	7	9	1
13	7	24	1
14	8	25	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	26	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	27	1
26	16	18	1
27	16	28	1
28	17	19	1
29	17	18	2
30	18	29	1
31	19	20	1
32	19	30	1
33	20	31	1
34	20	32	1
35	20	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1