@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448040
32 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.9877    -3.8677     5.5411	Br	1	noname	-0.0507
2	C1     3.0687    -4.9597     4.0360	C.2	1	noname	-0.0085
3	C2     4.1578    -4.8457     3.1460	C.2	1	noname	-0.0059
4	C3     2.0406    -5.8998     3.7890	C.2	1	noname	-0.0174
5	C4     4.1897    -5.6837     2.0169	C.2	1	noname	-0.0449
6	C5     2.0875    -6.7328     2.6530	C.2	1	noname	-0.0018
7	N1     5.0678    -5.8056     1.0129	N.3	1	noname	-0.0195
8	C6     3.1746    -6.6087     1.7749	C.2	1	noname	0.0142
9	C7     4.5997    -6.7696     0.1909	C.2	1	noname	-0.0061
10	C8     6.2268    -5.1475     0.7650	C.2	1	noname	-0.0363
11	N2     3.4366    -7.2787     0.6399	N.2	1	noname	-0.2180
12	C9     5.2987    -7.1336    -0.9651	C.2	1	noname	0.0184
13	N3     6.9228    -5.4845    -0.3500	N.2	1	noname	-0.2563
14	C10     6.4997    -6.4485    -1.2180	C.2	1	noname	0.0472
15	N4     7.2047    -6.7715    -2.3291	N.3	1	noname	0.0039
16	C11     8.3758    -6.1934    -2.6771	C.2	1	noname	-0.0315
17	C12     9.5918    -6.7044    -2.1830	C.2	1	noname	-0.0583
18	C13     8.3867    -5.0943    -3.5581	C.2	1	noname	-0.0583
19	C14    10.8099    -6.1143    -2.5620	C.2	1	noname	-0.0630
20	C15     9.6057    -4.5052    -3.9361	C.2	1	noname	-0.0630
21	C16    10.8178    -5.0152    -3.4380	C.2	1	noname	-0.0832
22	H1     4.9078    -4.1725     3.3090	H	1	noname	0.0655
23	H2     1.2525    -5.9827     4.4331	H	1	noname	0.0635
24	H3     1.3474    -7.4118     2.4720	H	1	noname	0.0646
25	H4     6.5728    -4.4205     1.3931	H	1	noname	0.1020
26	H5     4.9506    -7.8606    -1.5901	H	1	noname	0.0693
27	H6     6.8477    -7.4585    -2.9131	H	1	noname	0.1357
28	H7     9.5908    -7.5034    -1.5489	H	1	noname	0.0639
29	H8     7.5096    -4.7222    -3.9241	H	1	noname	0.0639
30	H9    11.6899    -6.4863    -2.2019	H	1	noname	0.0623
31	H10     9.6117    -3.7081    -4.5721	H	1	noname	0.0623
32	H11    11.7028    -4.5881    -3.7120	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	22	1
6	4	6	2
7	4	23	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	24	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	25	1
19	12	14	2
20	12	26	1
21	13	14	1
22	14	15	1
23	15	16	1
24	15	27	1
25	16	17	2
26	16	18	1
27	17	19	1
28	17	28	1
29	18	20	2
30	18	29	1
31	19	21	2
32	19	30	1
33	20	21	1
34	20	31	1
35	21	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1