@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445944
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     7.5073    -4.6219     1.6551	Br	1	noname	-0.0431
2	C1     7.9892    -5.4819     0.0612	C.2	1	noname	0.1226
3	C2     9.3791    -5.7168    -0.1527	C.2	1	noname	0.1521
4	C3     7.0661    -5.8318    -0.9557	C.2	1	noname	0.0338
5	O1    10.2341    -5.4128     0.7153	O.2	1	noname	-0.2564
6	N1     9.7721    -6.2778    -1.3456	N.3	1	noname	-0.0815
7	N2     5.6901    -5.7038    -0.8466	N.3	1	noname	0.0496
8	C4     7.6201    -6.4108    -2.1306	C.2	1	noname	0.0606
9	N3     8.9161    -6.5907    -2.2436	N.2	1	noname	-0.1875
10	C5    11.0741    -6.5307    -1.6316	C.2	1	noname	-0.0078
11	N4     5.0650    -5.6977     0.2924	N.2	1	noname	-0.2139
12	C6     4.7350    -5.6207    -1.8076	C.2	1	noname	0.0230
13	C7    11.8580    -5.5587    -2.2855	C.2	1	noname	-0.0186
14	C8    11.6520    -7.7677    -1.2815	C.2	1	noname	-0.0186
15	N5     3.7810    -5.6427     0.1614	N.2	1	noname	-0.1374
16	C9     3.5080    -5.6047    -1.1455	C.2	1	noname	0.0847
17	C10     4.9060    -5.4387    -3.2606	C.3	1	noname	0.0375
18	C11    13.2060    -5.8216    -2.5845	C.2	1	noname	-0.0491
19	C12    13.0000    -8.0296    -1.5815	C.2	1	noname	-0.0491
20	C13     2.2059    -5.5496    -1.6745	C.2	1	noname	0.1454
21	C14    13.7769    -7.0565    -2.2334	C.2	1	noname	-0.0512
22	O2     2.0048    -5.5406    -2.9094	O.2	1	noname	-0.2825
23	C15     1.0398    -5.5206    -0.7834	C.3	1	noname	0.0008
24	H1     7.0240    -6.7407    -2.8866	H	1	noname	0.0874
25	H2    11.4480    -4.6606    -2.5435	H	1	noname	0.0640
26	H3    11.0910    -8.4766    -0.8085	H	1	noname	0.0640
27	H4     4.1389    -4.7717    -3.6535	H	1	noname	0.0294
28	H5     5.8689    -4.9806    -3.4795	H	1	noname	0.0294
29	H6     4.8319    -6.4037    -3.7625	H	1	noname	0.0294
30	H7    13.7699    -5.1146    -3.0584	H	1	noname	0.0623
31	H8    13.4139    -8.9266    -1.3264	H	1	noname	0.0623
32	H9    14.7549    -7.2465    -2.4514	H	1	noname	0.0622
33	H10     0.1218    -5.4895    -1.3704	H	1	noname	0.0314
34	H11     1.0318    -6.4135    -0.1574	H	1	noname	0.0314
35	H12     1.0848    -4.6355    -0.1474	H	1	noname	0.0314
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	10	1
10	7	11	1
11	7	12	1
12	8	9	2
13	8	24	1
14	10	13	2
15	10	14	1
16	11	15	2
17	12	16	2
18	12	17	1
19	13	18	1
20	13	25	1
21	14	19	2
22	14	26	1
23	15	16	1
24	16	20	1
25	17	27	1
26	17	28	1
27	17	29	1
28	18	21	2
29	18	30	1
30	19	21	1
31	19	31	1
32	20	22	2
33	20	23	1
34	21	32	1
35	23	33	1
36	23	34	1
37	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1