@<TRIPOS>MOLECULE
DB04000
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -1.0861    -1.4259     0.2855	Br	1	noname	-0.0443
2	C1    -0.0402     0.0959     0.0895	C.2	1	noname	0.0727
3	C2     1.3846     0.0616     0.1397	C.2	1	noname	0.0820
4	C3    -0.5986     1.3907    -0.1231	C.2	1	noname	-0.0206
5	O1     1.9620    -1.0319     0.3226	O.2	1	noname	-0.2815
6	N1     2.1379     1.2005    -0.0079	N.3	1	noname	0.0836
7	N2     0.1950     2.5027    -0.2654	N.3	1	noname	0.0300
8	C4     1.5738     2.4443    -0.2130	C.2	1	noname	0.0255
9	C5    -0.4224     3.7532    -0.4732	C.3	1	noname	0.0364
10	O2     2.2778     3.4687    -0.3450	O.2	1	noname	-0.2814
11	C6    -0.6908     4.4201     0.8773	C.3	1	noname	0.1050
12	N3    -1.3310     5.7167     0.6619	N.3	1	noname	-0.3183
13	C7     0.5719     4.6123     1.5847	C.2	1	noname	0.1443
14	O3     0.7517     4.0760     2.6994	O.2	1	noname	-0.2492
15	O4     1.5451     5.3692     1.0349	O.3	1	noname	-0.2137
16	H1    -1.6774     1.5366    -0.1792	H	1	noname	0.0770
17	H2     3.1438     1.1205     0.0359	H	1	noname	0.1418
18	H3     0.3139     4.3531    -1.0081	H	1	noname	0.0462
19	H4    -1.3824     3.5273    -0.9374	H	1	noname	0.0462
20	H5    -1.3446     3.8171     1.5074	H	1	noname	0.0585
21	H6    -0.7678     6.5518     0.5875	H	1	noname	0.1192
22	H7    -2.3364     5.7774     0.5875	H	1	noname	0.1192
23	H8     2.0668     5.7749     1.7312	H	1	noname	0.2213
@<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	6	8	1
8	7	9	1
9	7	8	1
10	8	10	2
11	9	11	1
12	11	12	1
13	11	13	1
14	13	14	2
15	13	15	1
16	4	16	1
17	6	17	1
18	9	18	1
19	9	19	1
20	11	20	1
21	12	21	1
22	12	22	1
23	15	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1