@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3540
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.5746     4.7769    -1.4137	Br	1	noname	-0.0507
2	C1     4.2676     4.9549    -0.0987	C.2	1	noname	-0.0249
3	C2     3.0946     4.1790    -0.1577	C.2	1	noname	-0.0324
4	C3     4.4465     5.8699     0.9552	C.2	1	noname	-0.0570
5	C4     2.1036     4.3000     0.8402	C.2	1	noname	-0.0232
6	C5     3.4565     6.0090     1.9412	C.2	1	noname	-0.0547
7	N1     0.9416     3.5951     0.8203	N.3	1	noname	0.0056
8	C6     2.2875     5.2310     1.8792	C.2	1	noname	-0.0552
9	C7     0.7956     2.2692     0.5413	C.2	1	noname	0.0397
10	N2     1.8745     1.4943     0.2563	N.2	1	noname	-0.2552
11	C8    -0.4853     1.6753     0.5604	C.2	1	noname	-0.0307
12	C9     1.7765     0.1745    -0.0185	C.2	1	noname	0.0448
13	C10    -0.5623     0.2904     0.2674	C.2	1	noname	0.0517
14	C11    -1.6723     2.3823     0.8484	C.2	1	noname	-0.0183
15	N3     0.5595    -0.4124    -0.0105	N.2	1	noname	-0.2647
16	C12    -1.8063    -0.3644     0.2655	C.2	1	noname	-0.0044
17	C13    -2.9113     1.7184     0.8454	C.2	1	noname	-0.0460
18	C14    -2.9903     0.3445     0.5535	C.2	1	noname	-0.0050
19	N4    -4.2173    -0.2343     0.5636	N.3	1	noname	-0.1438
20	C15    -4.4674    -1.6042     0.2897	C.3	1	noname	-0.0115
21	H1     2.9566     3.5261    -0.9296	H	1	noname	0.0651
22	H2     5.2925     6.4409     1.0092	H	1	noname	0.0634
23	H3     3.5845     6.6770     2.7022	H	1	noname	0.0623
24	H4     0.1406     4.0792     1.0733	H	1	noname	0.1357
25	H5     1.5725     5.3431     2.5992	H	1	noname	0.0639
26	H6     2.6114    -0.3714    -0.2294	H	1	noname	0.1062
27	H7    -1.6463     3.3794     1.0624	H	1	noname	0.0631
28	H8    -1.8454    -1.3613     0.0515	H	1	noname	0.0662
29	H9    -3.7603     2.2444     1.0565	H	1	noname	0.0639
30	H10    -4.9803     0.3276     0.7726	H	1	noname	0.1277
31	H11    -5.5383    -1.7901     0.3617	H	1	noname	0.0395
32	H12    -4.1314    -1.8551    -0.7172	H	1	noname	0.0395
33	H13    -3.9484    -2.2341     1.0146	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	18	2
29	17	29	1
30	18	19	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