@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445943
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.7124     2.3167    -1.1579	Br	1	noname	-0.0435
2	C1     0.2834     2.2288     0.4270	C.2	1	noname	0.1066
3	C2     0.4043     3.4198     1.1990	C.2	1	noname	0.1483
4	C3     1.0343     1.0919     0.8030	C.2	1	noname	-0.0175
5	O1    -0.2436     4.4527     0.9001	O.2	1	noname	-0.2571
6	N1     1.2752     3.4258     2.2680	N.3	1	noname	-0.0822
7	N2     0.9612    -0.1509     0.2031	N.3	1	noname	-0.1241
8	C4     1.9222     1.2500     1.8990	C.2	1	noname	0.0441
9	N3     1.9741     2.3879     2.5530	N.2	1	noname	-0.1915
10	C5     1.4541     4.5198     3.0590	C.2	1	noname	-0.0078
11	C6    -0.2706    -0.7438    -0.2328	C.3	1	noname	0.0268
12	C7     2.1101    -0.9968     0.0392	C.3	1	noname	0.0268
13	C8     2.6990     5.1818     3.0820	C.2	1	noname	-0.0186
14	C9     0.4062     4.9998     3.8730	C.2	1	noname	-0.0186
15	C10    -0.4726    -2.1076     0.4511	C.3	1	noname	0.0599
16	C11     1.8991    -2.3227     0.7812	C.3	1	noname	0.0599
17	C12     2.8919     6.3078     3.9010	C.2	1	noname	-0.0491
18	C13     0.5981     6.1258     4.6910	C.2	1	noname	-0.0491
19	O2     0.6921    -2.9165     0.3132	O.3	1	noname	-0.3786
20	C14     1.8409     6.7798     4.7050	C.2	1	noname	-0.0512
21	H1     2.4951     0.4720     2.2240	H	1	noname	0.0870
22	H2    -1.1396    -0.1437     0.0312	H	1	noname	0.0458
23	H3    -0.2437    -0.8867    -1.3146	H	1	noname	0.0458
24	H4     3.0380    -0.5367     0.3792	H	1	noname	0.0458
25	H5     2.2250    -1.2157    -1.0237	H	1	noname	0.0458
26	H6     3.4669     4.8429     2.5011	H	1	noname	0.0640
27	H7    -0.4997     4.5289     3.8680	H	1	noname	0.0640
28	H8    -1.3217    -2.6185    -0.0027	H	1	noname	0.0579
29	H9    -0.6787    -1.9516     1.5111	H	1	noname	0.0579
30	H10     2.7350    -2.9926     0.5803	H	1	noname	0.0579
31	H11     1.8330    -2.1396     1.8552	H	1	noname	0.0579
32	H12     3.7958     6.7818     3.9120	H	1	noname	0.0623
33	H13    -0.1648     6.4688     5.2750	H	1	noname	0.0623
34	H14     1.9809     7.5978     5.2990	H	1	noname	0.0622
@<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	21	1
14	10	13	2
15	10	14	1
16	11	15	1
17	11	22	1
18	11	23	1
19	12	16	1
20	12	24	1
21	12	25	1
22	13	17	1
23	13	26	1
24	14	18	2
25	14	27	1
26	15	19	1
27	15	28	1
28	15	29	1
29	16	19	1
30	16	30	1
31	16	31	1
32	17	20	2
33	17	32	1
34	18	20	1
35	18	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1