@<TRIPOS>MOLECULE
DB02159
13 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6003     1.1032     0.2439	O.3	1	noname	-0.3909
2	C1     1.5787    -0.2488    -0.1896	C.3	1	noname	0.0744
3	C2     0.1401    -0.6581    -0.5119	C.3	1	noname	0.0689
4	C3     2.4439    -0.3965    -1.4428	C.3	1	noname	-0.0367
5	O2    -0.6629    -0.5211     0.6512	O.3	1	noname	-0.3936
6	H1     1.6007     1.1317     1.2035	H	1	noname	0.2105
7	H2     1.9804    -0.8277     0.6420	H	1	noname	0.0621
8	H3    -0.2620     0.0576    -1.2289	H	1	noname	0.0590
9	H4     0.1360    -1.7231    -0.7442	H	1	noname	0.0590
10	H5     2.5930    -1.4544    -1.6587	H	1	noname	0.0257
11	H6     1.9452     0.0799    -2.2868	H	1	noname	0.0257
12	H7     3.4099     0.0799    -1.2755	H	1	noname	0.0257
13	H8    -0.8935    -1.3910     0.9852	H	1	noname	0.2101
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	1	6	1
6	2	7	1
7	3	8	1
8	3	9	1
9	4	10	1
10	4	11	1
11	4	12	1
12	5	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1