@<TRIPOS>MOLECULE
DB04094
14 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0850    -1.0825     0.0000	O.2	1	noname	-0.2999
2	C1     1.4600     0.0000     0.0000	C.2	1	noname	0.1319
3	C2     0.0000     0.0000     0.0000	C.3	1	noname	0.0290
4	C3     2.1900     1.2644     0.0000	C.3	1	noname	-0.0056
5	C4    -0.5100     1.4425     0.0000	C.3	1	noname	0.0500
6	O2    -1.9300     1.4425     0.0000	O.3	1	noname	-0.3958
7	H1    -0.2998    -0.4552    -0.9440	H	1	noname	0.0370
8	H2    -0.2998    -0.4552     0.9440	H	1	noname	0.0370
9	H3     2.3717     1.5791     1.0277	H	1	noname	0.0310
10	H4     3.1424     1.1341    -0.5138	H	1	noname	0.0310
11	H5     1.6009     2.0240    -0.5138	H	1	noname	0.0310
12	H6    -0.2192     1.9034     0.9440	H	1	noname	0.0567
13	H7    -0.2192     1.9034    -0.9440	H	1	noname	0.0567
14	H8    -2.2500     1.4425     0.9051	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	5	6	1
6	3	7	1
7	3	8	1
8	4	9	1
9	4	10	1
10	4	11	1
11	5	12	1
12	5	13	1
13	6	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1