@<TRIPOS>MOLECULE
DB02279
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8599    -1.3318     1.4308	O.2	1	noname	-0.2324
2	C1    -1.2807    -0.4773     0.7259	C.2	1	noname	0.1581
3	O2    -1.1424     0.7878     1.1761	O.3	1	noname	-0.1999
4	C2    -0.7790    -0.8298    -0.5216	C.2	1	noname	0.1448
5	O3    -1.3326    -1.7328    -1.1855	O.2	1	noname	-0.2607
6	C3     0.3381    -0.1781    -1.0309	C.2	1	noname	-0.0111
7	C4     1.3030     0.3258    -0.1665	C.2	1	noname	-0.0070
8	C5     0.4904    -0.0303    -2.4046	C.2	1	noname	-0.0070
9	C6     2.4201     0.9774    -0.6757	C.2	1	noname	-0.0440
10	C7     1.6076     0.6214    -2.9139	C.2	1	noname	-0.0440
11	C8     2.5724     1.1253    -2.0495	C.2	1	noname	-0.0312
12	H1    -1.1424     0.7876     2.1361	H	1	noname	0.2218
13	H2     1.1836     0.2098     0.9107	H	1	noname	0.0630
14	H3    -0.2662    -0.4254    -3.0825	H	1	noname	0.0630
15	H4     3.1768     1.3726     0.0021	H	1	noname	0.0622
16	H5     1.7270     0.7373    -3.9911	H	1	noname	0.0622
17	H6     3.4485     1.6363    -2.4488	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	3	12	1
13	7	13	1
14	8	14	1
15	9	15	1
16	10	16	1
17	11	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1