@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3682
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     3.9930     6.3052     4.2596	Br	1	noname	-0.0507
2	C1     3.7440     5.5442     2.5797	C.2	1	noname	-0.0248
3	C2     2.6499     4.6883     2.3458	C.2	1	noname	-0.0318
4	C3     4.6469     5.8243     1.5368	C.2	1	noname	-0.0565
5	C4     2.4578     4.1003     1.0808	C.2	1	noname	-0.0231
6	C5     4.4548     5.2533     0.2678	C.2	1	noname	-0.0547
7	N1     1.3718     3.3054     0.9039	N.3	1	noname	0.0160
8	C6     3.3628     4.3994     0.0389	C.2	1	noname	-0.0547
9	C7     1.3427     2.1074     0.2639	C.2	1	noname	0.0903
10	N2     2.4576     1.5475    -0.2770	N.2	1	noname	-0.2088
11	C8     0.1196     1.4215     0.1720	C.2	1	noname	0.0680
12	C9     2.4366     0.3506    -0.9089	C.2	1	noname	0.0630
13	N3    -1.0333     1.9155     0.6890	N.2	1	noname	-0.1620
14	C10     0.1236     0.1765    -0.4929	C.2	1	noname	0.0613
15	N4     1.2695    -0.3262    -1.0128	N.2	1	noname	-0.2239
16	C11    -2.2003     1.2356     0.5831	C.2	1	noname	0.1141
17	C12    -1.0994    -0.5033    -0.5868	C.2	1	noname	0.0683
18	Cl1    -3.6184     1.8766     1.2372	Cl	1	noname	0.0033
19	N5    -2.2204     0.0387    -0.0507	N.2	1	noname	-0.1764
20	H1     1.9898     4.4863     3.0988	H	1	noname	0.0651
21	H2     5.4439     6.4443     1.6928	H	1	noname	0.0634
22	H3     5.1058     5.4614    -0.4891	H	1	noname	0.0623
23	H4     0.5407     3.5994     1.3089	H	1	noname	0.1358
24	H5     3.2257     4.0005    -0.8899	H	1	noname	0.0639
25	H6     3.2935    -0.0383    -1.3029	H	1	noname	0.1062
26	H7    -1.1484    -1.4073    -1.0587	H	1	noname	0.0864
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	20	1
6	4	6	2
7	4	21	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	22	1
12	7	9	1
13	7	23	1
14	8	24	1
15	9	10	2
16	9	11	1
17	10	12	1
18	11	13	2
19	11	14	1
20	12	15	2
21	12	25	1
22	13	16	1
23	14	17	2
24	14	15	1
25	16	18	1
26	16	19	2
27	17	19	1
28	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1