@<TRIPOS>MOLECULE
DB07502
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.1384    -3.2250    -1.5621	Br	1	noname	-0.0479
2	C1     3.6160    -2.9465    -0.5359	C.2	1	noname	-0.0012
3	C2     3.1368    -3.9599     0.2859	C.2	1	noname	0.0445
4	C3     2.9557    -1.7245    -0.5895	C.2	1	noname	0.0142
5	O1     3.7781    -5.1467     0.3380	O.3	1	noname	-0.2766
6	C4     1.9973    -3.7514     1.0541	C.2	1	noname	0.0116
7	C5     1.8161    -1.5160     0.1787	C.2	1	noname	-0.0063
8	C6     1.3369    -2.5295     1.0005	C.2	1	noname	0.0400
9	C7     1.1558    -0.2940     0.1250	C.2	1	noname	0.0911
10	O2     0.2302    -2.3269     1.7465	O.3	1	noname	-0.2783
11	N1     1.7006     0.9220    -0.1190	N.2	1	noname	-0.1382
12	C8    -0.1990    -0.0636     0.3101	C.2	1	noname	0.0469
13	O3     0.8066     1.8870    -0.0848	O.3	1	noname	-0.3236
14	C9    -0.4033     1.3271     0.1443	C.2	1	noname	0.0811
15	C10    -1.2774    -0.9681     0.5469	C.2	1	noname	-0.0061
16	C11    -1.7029     1.9119     0.1713	C.2	1	noname	0.0424
17	C12    -2.5824    -0.3930     0.5287	C.2	1	noname	-0.0139
18	C13    -2.7915     1.0028     0.3414	C.2	1	noname	0.0214
19	O4    -4.0540     1.4805     0.3240	O.3	1	noname	-0.2836
20	H1     3.3315    -0.9298    -1.2339	H	1	noname	0.0643
21	H2     3.9135    -5.3973     1.2548	H	1	noname	0.2182
22	H3     1.6215    -4.5461     1.6985	H	1	noname	0.0678
23	H4     0.4599    -2.3690     2.6777	H	1	noname	0.2182
24	H5    -1.1148    -2.0303     0.7300	H	1	noname	0.0631
25	H6    -1.8547     2.9864     0.0685	H	1	noname	0.0678
26	H7    -3.4483    -1.0415     0.6622	H	1	noname	0.0650
27	H8    -4.3641     1.5979     1.2249	H	1	noname	0.2181
@<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	6	8	2
8	7	9	1
9	7	8	1
10	8	10	1
11	9	11	2
12	9	12	1
13	11	13	1
14	12	14	2
15	12	15	1
16	13	14	1
17	14	16	1
18	15	17	2
19	16	18	2
20	17	18	1
21	18	19	1
22	4	20	1
23	5	21	1
24	6	22	1
25	10	23	1
26	15	24	1
27	16	25	1
28	17	26	1
29	19	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1