@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440378
16 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    21.9998    -5.9506    -0.2620	Br	1	noname	-0.0491
2	C1    21.9228    -4.2436     0.4770	C.2	1	noname	0.0236
3	C2    20.8728    -3.3696     0.1520	C.2	1	noname	0.0359
4	C3    22.9137    -3.8016     1.3720	C.2	1	noname	0.0210
5	N1    20.8358    -2.1317     0.7010	N.2	1	noname	-0.2348
6	C4    22.8566    -2.5087     1.9330	C.2	1	noname	0.0231
7	C5    21.7776    -1.6806     1.5660	C.2	1	noname	0.0350
8	C6    23.8415    -2.0546     2.8300	C.2	1	noname	0.0583
9	N2    23.8935    -0.8546     3.4241	N.2	1	noname	-0.1166
10	N3    24.9104    -2.7285     3.2631	N.3	1	noname	0.0578
11	N4    24.9533    -0.8456     4.1670	N.2	1	noname	-0.0862
12	N5    25.5743    -1.9785     4.0741	N.2	1	noname	-0.1810
13	H1    20.1358    -3.6566    -0.4938	H	1	noname	0.0851
14	H2    23.6826    -4.4286     1.6160	H	1	noname	0.0643
15	H3    21.6916    -0.7356     1.9450	H	1	noname	0.0846
16	H4    25.1494    -3.6334     3.0091	H	1	noname	0.1791
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	13	1
6	4	6	2
7	4	14	1
8	5	7	2
9	6	8	1
10	6	7	1
11	7	15	1
12	8	9	2
13	8	10	1
14	9	11	1
15	10	12	1
16	10	16	1
17	11	12	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1