@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4093
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     8.7647    -9.1199    -0.2648	Br	1	noname	-0.0499
2	C1     8.2496    -7.3458    -0.0097	C.2	1	noname	-0.0052
3	C2     9.1555    -6.2698     0.1542	C.2	1	noname	-0.0120
4	C3     6.8656    -7.0628     0.0213	C.2	1	noname	0.0103
5	C4     8.6745    -4.9657     0.3403	C.2	1	noname	-0.0424
6	C5    10.5505    -6.1567     0.1813	C.2	1	noname	-0.0243
7	C6     6.3955    -5.7467     0.2093	C.2	1	noname	0.0500
8	N1     9.6975    -4.1076     0.4734	N.3	1	noname	-0.0622
9	C7     7.3015    -4.6827     0.3714	C.2	1	noname	0.0316
10	C8    10.8404    -4.8017     0.3814	C.2	1	noname	-0.0849
11	C9    11.5985    -7.0887     0.0543	C.2	1	noname	-0.0008
12	O1     5.0655    -5.5007     0.2364	O.3	1	noname	-0.2721
13	O2     6.8594    -3.4186     0.5524	O.3	1	noname	-0.2695
14	C10    12.1604    -4.3336     0.4594	C.2	1	noname	-0.0084
15	C11    12.9304    -6.6337     0.1314	C.2	1	noname	0.0310
16	C12    13.2094    -5.2646     0.3325	C.2	1	noname	0.0338
17	O3    13.9514    -7.5126     0.0104	O.3	1	noname	-0.2753
18	O4    14.4893    -4.8415     0.4045	O.3	1	noname	-0.2745
19	H1     6.1855    -7.8157    -0.0936	H	1	noname	0.0663
20	H2     9.6194    -3.1516     0.6114	H	1	noname	0.1529
21	H3    11.4134    -8.0787    -0.0915	H	1	noname	0.0658
22	H4     4.5014    -6.2936     0.1184	H	1	noname	0.2183
23	H5     5.8814    -3.3416     0.5565	H	1	noname	0.2183
24	H6    12.3563    -3.3426     0.6055	H	1	noname	0.0671
25	H7    13.6753    -8.4426    -0.1274	H	1	noname	0.2183
26	H8    15.1473    -5.5624     0.3056	H	1	noname	0.2183
@<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	19	1
8	5	8	1
9	5	9	2
10	6	10	2
11	6	11	1
12	7	12	1
13	7	9	1
14	8	10	1
15	8	20	1
16	9	13	1
17	10	14	1
18	11	15	2
19	11	21	1
20	12	22	1
21	13	23	1
22	14	16	2
23	14	24	1
24	15	17	1
25	15	16	1
26	16	18	1
27	17	25	1
28	18	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1