@<TRIPOS>MOLECULE
DB04699
12 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4536    -1.1884     1.0804	O.2	1	noname	-0.2542
2	C1    -0.0512    -0.3201     0.2763	C.2	1	noname	0.1400
3	O2     1.1146    -0.3621    -0.5367	O.3	1	noname	-0.2071
4	C2    -0.7025     1.0222    -0.0515	C.3	1	noname	0.0359
5	C3     1.6773     0.9242    -0.3049	C.3	1	noname	0.0569
6	C4     0.5149     1.9199    -0.2353	C.3	1	noname	-0.0196
7	H1    -1.2116     0.9332    -1.0112	H	1	noname	0.0373
8	H2    -1.2509     1.3629     0.8268	H	1	noname	0.0373
9	H3     2.1484     0.8746     0.6768	H	1	noname	0.0573
10	H4     2.2764     1.1543    -1.1859	H	1	noname	0.0573
11	H5     0.4287     2.4101    -1.2050	H	1	noname	0.0295
12	H6     0.6327     2.5173     0.6688	H	1	noname	0.0295
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	6	1
7	4	7	1
8	4	8	1
9	5	9	1
10	5	10	1
11	6	11	1
12	6	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1