@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442796
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    27.8021    -8.8844    -0.0876	Br	1	noname	-0.0490
2	C1    28.3060    -7.0883     0.0693	C.2	1	noname	-0.0101
3	C2    27.7370    -5.9492    -0.6016	C.2	1	noname	0.0113
4	C3    29.3780    -6.9322     0.9743	C.2	1	noname	-0.0327
5	N1    26.6659    -5.9502    -1.5295	N.3	1	noname	0.0729
6	C4    28.3239    -4.6802    -0.2935	C.2	1	noname	-0.0244
7	C5    29.9199    -5.6752     1.2464	C.2	1	noname	-0.0650
8	C6    26.1979    -4.7741    -2.1205	C.2	1	noname	0.0439
9	C7    26.0038    -7.0831    -1.9185	C.2	1	noname	-0.0261
10	C8    27.8498    -3.4951    -0.8895	C.2	1	noname	0.0134
11	C9    29.3939    -4.5491     0.6135	C.2	1	noname	-0.0447
12	N2    25.1968    -4.7731    -2.9884	N.2	1	noname	-0.1409
13	C10    26.7948    -3.5271    -1.7994	C.2	1	noname	0.0645
14	C11    26.4208    -7.7951    -3.0634	C.2	1	noname	-0.0478
15	C12    24.8468    -7.5031    -1.2274	C.2	1	noname	-0.0478
16	C13    24.7097    -3.6911    -3.5793	C.2	1	noname	0.1143
17	C14    26.2798    -2.3660    -2.4274	C.2	1	noname	0.0817
18	C15    25.7057    -8.9260    -3.4954	C.2	1	noname	-0.0605
19	C16    24.1337    -8.6351    -1.6594	C.2	1	noname	-0.0605
20	O1    23.7616    -3.7830    -4.3863	O.2	1	noname	-0.2481
21	N3    25.2497    -2.4800    -3.3013	N.3	1	noname	0.1044
22	O2    26.7457    -1.2279    -2.2004	O.2	1	noname	-0.2831
23	C17    24.5646    -9.3470    -2.7923	C.2	1	noname	-0.0751
24	H1    29.7860    -7.7372     1.4544	H	1	noname	0.0635
25	H2    30.6959    -5.5801     1.9035	H	1	noname	0.0623
26	H3    28.2798    -2.5950    -0.6574	H	1	noname	0.0638
27	H4    29.7989    -3.6331     0.8205	H	1	noname	0.0629
28	H5    27.2437    -7.4880    -3.5834	H	1	noname	0.0639
29	H6    24.5237    -6.9840    -0.4103	H	1	noname	0.0639
30	H7    26.0136    -9.4390    -4.3214	H	1	noname	0.0623
31	H8    23.3006    -8.9370    -1.1533	H	1	noname	0.0623
32	H9    24.8956    -1.6869    -3.7322	H	1	noname	0.1424
33	H10    24.0446   -10.1669    -3.1063	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	6	1
6	4	7	2
7	4	24	1
8	5	8	1
9	5	9	1
10	6	10	1
11	6	11	2
12	7	11	1
13	7	25	1
14	8	12	2
15	8	13	1
16	9	14	2
17	9	15	1
18	10	13	2
19	10	26	1
20	11	27	1
21	12	16	1
22	13	17	1
23	14	18	1
24	14	28	1
25	15	19	2
26	15	29	1
27	16	20	2
28	16	21	1
29	17	22	2
30	17	21	1
31	18	23	2
32	18	30	1
33	19	23	1
34	19	31	1
35	21	32	1
36	23	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1