@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445931
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    10.4844    -5.1005     1.4931	Br	1	noname	-0.0431
2	C1    10.7904    -6.1465    -0.0318	C.2	1	noname	0.1226
3	C2    12.1433    -6.4884    -0.3207	C.2	1	noname	0.1521
4	C3     9.7704    -6.5394    -0.9347	C.2	1	noname	0.0338
5	O1    13.0803    -6.1514     0.4432	O.2	1	noname	-0.2564
6	N1    12.4093    -7.1933    -1.4717	N.3	1	noname	-0.0813
7	N2     8.4174    -6.3154    -0.7397	N.3	1	noname	0.0496
8	C4    10.1974    -7.2703    -2.0776	C.2	1	noname	0.0606
9	N3    11.4683    -7.5423    -2.2656	N.2	1	noname	-0.1875
10	C5    13.6682    -7.5563    -1.8246	C.2	1	noname	-0.0040
11	N4     7.8853    -6.1503     0.4343	N.2	1	noname	-0.2139
12	C6     7.3943    -6.2763    -1.6306	C.2	1	noname	0.0230
13	C7    14.4482    -6.7122    -2.6386	C.2	1	noname	-0.0080
14	C8    14.2021    -8.7842    -1.3866	C.2	1	noname	-0.0080
15	N5     6.6003    -6.0303     0.3923	N.2	1	noname	-0.1374
16	C9     6.2263    -6.1133    -0.8866	C.2	1	noname	0.0847
17	C10     7.4593    -6.2603    -3.1045	C.3	1	noname	0.0375
18	C11    15.7501    -7.0902    -3.0095	C.2	1	noname	-0.0147
19	C12    15.5041    -9.1632    -1.7565	C.2	1	noname	-0.0147
20	C13     4.8903    -6.0342    -1.3215	C.2	1	noname	0.1454
21	C14    16.2821    -8.3171    -2.5694	C.2	1	noname	-0.0026
22	O2     4.5923    -6.1452    -2.5315	O.2	1	noname	-0.2825
23	C15     3.8033    -5.8402    -0.3555	C.3	1	noname	0.0008
24	Cl1    17.8480    -8.7731    -3.0164	Cl	1	noname	-0.0836
25	H1     9.5273    -7.6383    -2.7496	H	1	noname	0.0874
26	H2    14.0681    -5.8222    -2.9615	H	1	noname	0.0640
27	H3    13.6431    -9.4032    -0.7975	H	1	noname	0.0640
28	H4     6.6922    -5.6032    -3.5135	H	1	noname	0.0294
29	H5     8.4212    -5.8752    -3.4404	H	1	noname	0.0294
30	H6     7.3082    -7.2692    -3.4885	H	1	noname	0.0294
31	H7    16.3031    -6.4671    -3.5994	H	1	noname	0.0638
32	H8    15.8771   -10.0561    -1.4305	H	1	noname	0.0638
33	H9     2.8442    -5.8151    -0.8744	H	1	noname	0.0314
34	H10     3.7972    -6.6601     0.3625	H	1	noname	0.0314
35	H11     3.9452    -4.8972     0.1745	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	25	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	26	1
21	14	19	2
22	14	27	1
23	15	16	1
24	16	20	1
25	17	28	1
26	17	29	1
27	17	30	1
28	18	21	2
29	18	31	1
30	19	21	1
31	19	32	1
32	20	22	2
33	20	23	1
34	21	24	1
35	23	33	1
36	23	34	1
37	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1