@<TRIPOS>MOLECULE
DB04665
17 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3244     1.1404    -0.2928	O.2	1	noname	-0.2570
2	C1     2.0845     1.1755    -0.1383	C.2	1	noname	0.1108
3	O2     1.3738     0.0069     0.0219	O.3	1	noname	-0.1512
4	C2     1.4047     2.4153    -0.1272	C.2	1	noname	0.0662
5	C3     0.0050    -0.0289     0.1918	C.2	1	noname	0.0142
6	C4     0.0022     2.4237     0.0471	C.2	1	noname	0.0050
7	C5    -0.7267     1.2203     0.2083	C.2	1	noname	-0.0032
8	C6    -0.6699    -1.2716     0.3415	C.2	1	noname	-0.0166
9	C7    -2.1420     1.2386     0.3720	C.2	1	noname	-0.0400
10	C8    -2.0825    -1.2418     0.5247	C.2	1	noname	-0.0510
11	C9    -2.8044    -0.0152     0.5409	C.2	1	noname	-0.0616
12	H1     1.9528     3.3493    -0.2511	H	1	noname	0.0686
13	H2    -0.5275     3.3763     0.0575	H	1	noname	0.0632
14	H3    -0.1235    -2.2144     0.3168	H	1	noname	0.0650
15	H4    -2.6971     2.1767     0.3682	H	1	noname	0.0629
16	H5    -2.6234    -2.1790     0.6554	H	1	noname	0.0623
17	H6    -3.8846    -0.0366     0.6854	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	7	9	1
10	8	10	2
11	9	11	2
12	10	11	1
13	4	12	1
14	6	13	1
15	8	14	1
16	9	15	1
17	10	16	1
18	11	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1