@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442795
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    33.9735    -5.6665    -1.6799	Br	1	noname	-0.0490
2	C1    35.3914    -4.8855    -0.7389	C.2	1	noname	-0.0101
3	C2    35.3693    -3.6865     0.0560	C.2	1	noname	0.0113
4	C3    36.5803    -5.6314    -0.8899	C.2	1	noname	-0.0327
5	N1    34.2584    -2.8415     0.2991	N.3	1	noname	0.0732
6	C4    36.6102    -3.3125     0.6650	C.2	1	noname	-0.0244
7	C5    37.7682    -5.2314    -0.2758	C.2	1	noname	-0.0650
8	C6    34.3593    -1.6945     1.0901	C.2	1	noname	0.0439
9	C7    33.0093    -3.0715    -0.2098	C.2	1	noname	-0.0203
10	C8    36.7102    -2.1565     1.4631	C.2	1	noname	0.0134
11	C9    37.7841    -4.0724     0.5001	C.2	1	noname	-0.0447
12	N2    33.3213    -0.9015     1.3151	N.2	1	noname	-0.1409
13	C10    35.6002    -1.3425     1.6821	C.2	1	noname	0.0645
14	C11    32.6243    -2.4934    -1.4377	C.2	1	noname	-0.0363
15	C12    32.0653    -3.8184     0.5272	C.2	1	noname	-0.0363
16	C13    33.3572     0.1984     2.0551	C.2	1	noname	0.1143
17	C14    35.6452    -0.1685     2.4731	C.2	1	noname	0.0817
18	C15    31.3233    -2.6834    -1.9356	C.2	1	noname	-0.0247
19	C16    30.7653    -4.0093     0.0293	C.2	1	noname	-0.0247
20	O1    32.3283     0.8884     2.2132	O.2	1	noname	-0.2481
21	N3    34.5211     0.5715     2.6382	N.3	1	noname	0.1044
22	O2    36.6970     0.2155     3.0312	O.2	1	noname	-0.2831
23	C17    30.3913    -3.4443    -1.2046	C.2	1	noname	-0.0272
24	Cl1    28.8274    -3.6753    -1.8045	Cl	1	noname	-0.0895
25	H1    36.6023    -6.4843    -1.4528	H	1	noname	0.0635
26	H2    38.6191    -5.7823    -0.3948	H	1	noname	0.0623
27	H3    37.6041    -1.9034     1.8911	H	1	noname	0.0638
28	H4    38.6600    -3.7894     0.9431	H	1	noname	0.0629
29	H5    33.2912    -1.9344    -1.9696	H	1	noname	0.0640
30	H6    32.3262    -4.2233     1.4272	H	1	noname	0.0640
31	H7    31.0633    -2.2634    -2.8285	H	1	noname	0.0638
32	H8    30.0963    -4.5583     0.5723	H	1	noname	0.0638
33	H9    34.5501     1.3745     3.1792	H	1	noname	0.1424
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	25	1
8	5	8	1
9	5	9	1
10	6	10	1
11	6	11	2
12	7	11	1
13	7	26	1
14	8	12	2
15	8	13	1
16	9	14	2
17	9	15	1
18	10	13	2
19	10	27	1
20	11	28	1
21	12	16	1
22	13	17	1
23	14	18	1
24	14	29	1
25	15	19	2
26	15	30	1
27	16	20	2
28	16	21	1
29	17	22	2
30	17	21	1
31	18	23	2
32	18	31	1
33	19	23	1
34	19	32	1
35	21	33	1
36	23	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1