@<TRIPOS>MOLECULE
DB04637
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     4.2123    -3.2593     0.0000	Br	1	noname	-0.0927
2	C1     3.5700    -1.4425     0.0000	C.3	1	noname	0.0031
3	C2     2.0400    -1.4425     0.0000	C.3	1	noname	-0.0435
4	C3     1.5300     0.0000     0.0000	C.3	1	noname	-0.0524
5	C4     0.0000     0.0000     0.0000	C.3	1	noname	-0.0511
6	C5    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0299
7	C6    -2.0400     1.4425     0.0000	C.3	1	noname	0.0432
8	O1    -2.5133     2.7813     0.0000	O.3	1	noname	-0.3962
9	H1     3.8093    -0.9528     0.9440	H	1	noname	0.0386
10	H2     3.8093    -0.9528    -0.9440	H	1	noname	0.0386
11	H3     1.7253    -1.8875    -0.9440	H	1	noname	0.0275
12	H4     1.7253    -1.8875     0.9440	H	1	noname	0.0275
13	H5     1.8447     0.4450     0.9440	H	1	noname	0.0267
14	H6     1.8447     0.4450    -0.9440	H	1	noname	0.0267
15	H7    -0.3147    -0.4450    -0.9440	H	1	noname	0.0267
16	H8    -0.3147    -0.4450     0.9440	H	1	noname	0.0267
17	H9    -0.1953     1.8875     0.9440	H	1	noname	0.0290
18	H10    -0.1953     1.8875    -0.9440	H	1	noname	0.0290
19	H11    -2.3777     1.0147    -0.9440	H	1	noname	0.0563
20	H12    -2.3777     1.0147     0.9440	H	1	noname	0.0563
21	H13    -2.6200     3.0830     0.9051	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	2	9	1
9	2	10	1
10	3	11	1
11	3	12	1
12	4	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	8	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1