@<TRIPOS>MOLECULE
DB01440
14 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2456    -1.6049     0.0000	O.2	1	noname	-0.4816
2	C1     2.0167    -1.3765     0.0000	C.2	1	noname	-0.0708
3	O2     1.1394    -2.4026     0.0000	O.3	1	noname	-0.4816
4	C2     1.5300     0.0000     0.0000	C.3	1	noname	-0.0127
5	C3     0.0000     0.0000     0.0000	C.3	1	noname	-0.0302
6	C4    -0.5100     1.4425     0.0000	C.3	1	noname	0.0429
7	O3    -1.9300     1.4425     0.0000	O.3	1	noname	-0.3962
8	H1     1.8592     0.4343     0.9440	H	1	noname	0.0253
9	H2     1.8592     0.4343    -0.9440	H	1	noname	0.0253
10	H3    -0.3147    -0.4450    -0.9440	H	1	noname	0.0286
11	H4    -0.3147    -0.4450     0.9440	H	1	noname	0.0286
12	H5    -0.2192     1.9034     0.9440	H	1	noname	0.0563
13	H6    -0.2192     1.9034    -0.9440	H	1	noname	0.0563
14	H7    -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	4	5	1
5	5	6	1
6	6	7	1
7	4	8	1
8	4	9	1
9	5	10	1
10	5	11	1
11	6	12	1
12	6	13	1
13	7	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1