@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448036
20 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    10.5576    -5.7167     5.4482	Br	1	noname	-0.0507
2	C1     9.9635    -4.7456     3.9762	C.2	1	noname	-0.0085
3	C2     9.0805    -5.3446     3.0512	C.2	1	noname	-0.0055
4	C3    10.3955    -3.4115     3.7873	C.2	1	noname	-0.0174
5	C4     8.6494    -4.5845     1.9503	C.2	1	noname	-0.0397
6	C5     9.9544    -2.6634     2.6773	C.2	1	noname	-0.0017
7	N1     7.8323    -4.8695     0.9263	N.3	1	noname	-0.0005
8	C6     9.0774    -3.2704     1.7653	C.2	1	noname	0.0148
9	C7     7.7673    -3.7654     0.1503	C.2	1	noname	-0.0029
10	C8     7.1513    -6.0034     0.6283	C.2	1	noname	-0.0255
11	N2     8.5253    -2.7694     0.6473	N.2	1	noname	-0.2155
12	C9     6.9852    -3.7454    -1.0096	C.2	1	noname	0.0548
13	N3     6.3852    -6.0094    -0.4916	N.2	1	noname	-0.2177
14	C10     6.2842    -4.9274    -1.3076	C.2	1	noname	0.0673
15	Cl1     5.3071    -5.0233    -2.6816	Cl	1	noname	-0.0372
16	H1     8.7584    -6.3056     3.1723	H	1	noname	0.0655
17	H2    11.0345    -2.9784     4.4563	H	1	noname	0.0635
18	H3    10.2654    -1.7014     2.5393	H	1	noname	0.0646
19	H4     7.2082    -6.8314     1.2234	H	1	noname	0.1020
20	H5     6.9312    -2.9143    -1.6016	H	1	noname	0.0692
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	16	1
6	4	6	2
7	4	17	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	18	1
12	7	9	1
13	7	10	1
14	8	11	1
15	9	12	1
16	9	11	2
17	10	13	2
18	10	19	1
19	12	14	2
20	12	20	1
21	13	14	1
22	14	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1