@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448035
20 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.9493    -8.2372     0.7144	Br	1	noname	-0.0507
2	C1     4.7864    -8.4902     0.5495	C.2	1	noname	-0.0085
3	C2     5.6754    -7.4731     0.9585	C.2	1	noname	-0.0047
4	C3     5.2843    -9.6992     0.0155	C.2	1	noname	-0.0174
5	C4     7.0654    -7.6781     0.8285	C.2	1	noname	-0.0370
6	C5     6.6714    -9.9022    -0.1124	C.2	1	noname	-0.0015
7	N1     8.1464    -6.9190     1.1226	N.3	1	noname	0.0087
8	C6     7.5394    -8.8811     0.2996	C.2	1	noname	0.0171
9	C7     8.2854    -5.6619     1.6557	C.2	1	noname	-0.0108
10	C8     9.2194    -7.6730     0.7706	C.2	1	noname	0.0092
11	N2     8.8774    -8.8700     0.2676	N.2	1	noname	-0.2086
12	Cl1     7.0112    -4.6467     2.1228	Cl	1	noname	-0.0570
13	C9     9.5964    -5.1718     1.8298	C.2	1	noname	0.0371
14	C10    10.5194    -7.1829     0.9447	C.2	1	noname	0.0496
15	N3    10.6544    -5.9418     1.4718	N.2	1	noname	-0.2225
16	H1     5.3083    -6.6050     1.3416	H	1	noname	0.0655
17	H2     4.6432   -10.4362    -0.2804	H	1	noname	0.0635
18	H3     7.0364   -10.7742    -0.4963	H	1	noname	0.0646
19	H4     9.7634    -4.2427     2.2219	H	1	noname	0.0869
20	H5    11.3344    -7.7388     0.6847	H	1	noname	0.0877
@<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	13	2
17	10	14	1
18	10	11	2
19	13	15	1
20	13	19	1
21	14	15	2
22	14	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1