@<TRIPOS>MOLECULE
DB02405
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     8.0470    -4.3275     0.0000	Br	1	noname	-0.0927
2	C1     6.1200    -4.3275     0.0000	C.3	1	noname	0.0031
3	C2     5.6100    -2.8850     0.0000	C.3	1	noname	-0.0435
4	C3     4.0800    -2.8850     0.0000	C.3	1	noname	-0.0525
5	C4     3.5700    -1.4425     0.0000	C.3	1	noname	-0.0533
6	C5     2.0400    -1.4425     0.0000	C.3	1	noname	-0.0533
7	C6     1.5300     0.0000     0.0000	C.3	1	noname	-0.0533
8	C7     0.0000     0.0000     0.0000	C.3	1	noname	-0.0533
9	C8    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0533
10	C9    -2.0400     1.4425     0.0000	C.3	1	noname	-0.0528
11	C10    -2.5500     2.8850     0.0000	C.3	1	noname	-0.0439
12	C11    -4.0800     2.8850     0.0000	C.3	1	noname	0.0335
13	C12    -4.5667     4.2615     0.0000	C.2	1	noname	0.1348
14	O1    -5.7956     4.4899     0.0000	O.2	1	noname	-0.2559
15	O2    -3.6894     5.2876     0.0000	O.3	1	noname	-0.2189
16	H1     5.7381    -4.7163    -0.9440	H	1	noname	0.0386
17	H2     5.7381    -4.7163     0.9440	H	1	noname	0.0386
18	H3     5.9247    -2.4400     0.9440	H	1	noname	0.0275
19	H4     5.9247    -2.4400    -0.9440	H	1	noname	0.0275
20	H5     3.7653    -3.3300    -0.9440	H	1	noname	0.0267
21	H6     3.7653    -3.3300     0.9440	H	1	noname	0.0267
22	H7     3.8847    -0.9975     0.9440	H	1	noname	0.0266
23	H8     3.8847    -0.9975    -0.9440	H	1	noname	0.0266
24	H9     1.7253    -1.8875    -0.9440	H	1	noname	0.0266
25	H10     1.7253    -1.8875     0.9440	H	1	noname	0.0266
26	H11     1.8447     0.4450     0.9440	H	1	noname	0.0266
27	H12     1.8447     0.4450    -0.9440	H	1	noname	0.0266
28	H13    -0.3147    -0.4450    -0.9440	H	1	noname	0.0266
29	H14    -0.3147    -0.4450     0.9440	H	1	noname	0.0266
30	H15    -0.1953     1.8875     0.9440	H	1	noname	0.0266
31	H16    -0.1953     1.8875    -0.9440	H	1	noname	0.0266
32	H17    -2.3547     0.9975    -0.9440	H	1	noname	0.0267
33	H18    -2.3547     0.9975     0.9440	H	1	noname	0.0267
34	H19    -2.2353     3.3300     0.9440	H	1	noname	0.0272
35	H20    -2.2353     3.3300    -0.9440	H	1	noname	0.0272
36	H21    -4.4092     2.4507    -0.9440	H	1	noname	0.0372
37	H22    -4.4092     2.4507     0.9440	H	1	noname	0.0372
38	H23    -3.4815     5.5308     0.9051	H	1	noname	0.2213
@<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	8	9	1
9	9	10	1
10	10	11	1
11	11	12	1
12	12	13	1
13	13	14	2
14	13	15	1
15	2	16	1
16	2	17	1
17	3	18	1
18	3	19	1
19	4	20	1
20	4	21	1
21	5	22	1
22	5	23	1
23	6	24	1
24	6	25	1
25	7	26	1
26	7	27	1
27	8	28	1
28	8	29	1
29	9	30	1
30	9	31	1
31	10	32	1
32	10	33	1
33	11	34	1
34	11	35	1
35	12	36	1
36	12	37	1
37	15	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1