@<TRIPOS>MOLECULE
DB04646
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.8863    -1.0043     1.4504	Br	1	noname	-0.0461
2	C1    -0.0136     0.1757     0.3623	C.2	1	noname	0.0943
3	C2     1.2055    -0.2715    -0.3075	C.2	1	noname	0.1065
4	C3    -0.5277     1.4130     0.2194	C.2	1	noname	0.0904
5	O1     1.6926    -1.4158    -0.1818	O.2	1	noname	-0.2903
6	C4     1.7874     0.7769    -1.1413	C.2	1	noname	0.0882
7	C5     0.0568     2.4694    -0.6037	C.2	1	noname	0.1073
8	C6    -1.7343     1.7144     0.9252	C.3	1	noname	-0.0167
9	C7     1.2706     2.0127    -1.2751	C.2	1	noname	0.0931
10	C8     2.9838     0.4708    -1.8624	C.3	1	noname	-0.0346
11	O2    -0.4216     3.6185    -0.7186	O.2	1	noname	-0.2899
12	C9    -2.9387     1.3697     0.0469	C.3	1	noname	-0.0585
13	C10    -1.7646     3.2047     1.2703	C.3	1	noname	-0.0585
14	Br2     2.1421     3.1922    -2.3646	Br	1	noname	-0.0461
15	H1    -1.7139     1.1008     1.8259	H	1	noname	0.0348
16	H2     3.7898     0.2646    -1.1581	H	1	noname	0.0281
17	H3     2.8162    -0.4050    -2.4893	H	1	noname	0.0281
18	H4     3.2573     1.3195    -2.4893	H	1	noname	0.0281
19	H5    -3.7919     1.1255     0.6797	H	1	noname	0.0236
20	H6    -3.1860     2.2246    -0.5824	H	1	noname	0.0236
21	H7    -2.6962     0.5134    -0.5824	H	1	noname	0.0236
22	H8    -1.7671     3.3269     2.3534	H	1	noname	0.0236
23	H9    -0.8844     3.6925     0.8516	H	1	noname	0.0236
24	H10    -2.6640     3.6563     0.8516	H	1	noname	0.0236
@<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	2
9	6	10	1
10	7	11	2
11	7	9	1
12	8	12	1
13	8	13	1
14	9	14	1
15	8	15	1
16	10	16	1
17	10	17	1
18	10	18	1
19	12	19	1
20	12	20	1
21	12	21	1
22	13	22	1
23	13	23	1
24	13	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1