@<TRIPOS>MOLECULE
DB04215
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     6.5584     1.8377    -1.4226	Br	1	noname	-0.0516
2	C1     5.0971     2.4935    -0.4829	C.2	1	noname	-0.0437
3	C2     3.8817     1.8207    -0.5300	C.2	1	noname	-0.0110
4	C3     5.2187     3.6571     0.2676	C.2	1	noname	-0.0492
5	O1     3.7636     0.6905    -1.2588	O.3	1	noname	-0.8383
6	C4     2.7879     2.3115     0.1734	C.2	1	noname	-0.0510
7	C5     4.1249     4.1480     0.9710	C.2	1	noname	-0.0847
8	C6     1.5725     1.6387     0.1264	C.2	1	noname	-0.0879
9	C7     2.9095     3.4752     0.9239	C.2	1	noname	-0.0556
10	C8     4.2527     5.3702     1.7592	C.3	1	noname	-0.0062
11	N1     1.4372     0.3040    -0.0383	N.3	1	noname	-0.0622
12	C9     0.3191     2.2486     0.2429	C.2	1	noname	-0.0197
13	C10     0.1251     0.0143    -0.0246	C.2	1	noname	-0.0808
14	C11    -0.5976     1.2129     0.1089	C.2	1	noname	-0.0220
15	C12    -0.5266    -1.2554    -0.1396	C.2	1	noname	-0.0328
16	C13    -2.0283     1.2488     0.0671	C.2	1	noname	-0.0035
17	C14    -1.9534    -1.2386    -0.1172	C.2	1	noname	-0.0136
18	C15    -2.6873    -0.0119    -0.0358	C.2	1	noname	-0.0029
19	C16    -4.0466    -0.0498    -0.0572	C.2	1	noname	0.0007
20	N2    -4.6518    -1.1683    -0.1488	N.2	1	noname	0.1638
21	N3    -4.7341     1.0628     0.0163	N.3	1	noname	-0.1009
22	H1     6.1718     4.1847     0.3045	H	1	noname	0.0636
23	H2     2.0518     3.8601     1.4755	H	1	noname	0.0632
24	H3     4.2268     5.1226     2.8204	H	1	noname	0.0279
25	H4     5.1985     5.8578     1.5229	H	1	noname	0.0279
26	H5     3.4281     6.0428     1.5229	H	1	noname	0.0279
27	H6     2.1876    -0.3623    -0.1521	H	1	noname	0.1528
28	H7     0.1029     3.3048     0.4036	H	1	noname	0.0649
29	H8     0.0336    -2.1852    -0.2389	H	1	noname	0.0642
30	H9    -2.5853     2.1846     0.1113	H	1	noname	0.0638
31	H10    -2.4946    -2.1836    -0.1632	H	1	noname	0.0632
32	H11    -5.6608    -1.1950    -0.1851	H	1	noname	0.2870
33	H12    -4.1222    -2.0276    -0.1851	H	1	noname	0.2870
34	H13    -4.2551     1.9515     0.0446	H	1	noname	0.1297
35	H14    -5.7433     1.0320     0.0446	H	1	noname	0.1297
@<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	1
8	6	9	2
9	7	10	1
10	7	9	1
11	8	11	1
12	8	12	2
13	11	13	1
14	12	14	1
15	13	15	1
16	13	14	2
17	14	16	1
18	15	17	2
19	16	18	2
20	17	18	1
21	18	19	1
22	19	20	2
23	19	21	1
24	4	22	1
25	9	23	1
26	10	24	1
27	10	25	1
28	10	26	1
29	11	27	1
30	12	28	1
31	15	29	1
32	16	30	1
33	17	31	1
34	20	32	1
35	20	33	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1