@<TRIPOS>MOLECULE
DB01672
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9450    -1.2038     0.0000	O.2	1	noname	-0.2568
2	C1    -0.6950    -1.2038     0.0000	C.2	1	noname	0.0954
3	O2    -0.0200    -2.3729     0.0000	O.3	1	noname	-0.2171
4	C2     0.0000     0.0000     0.0000	C.2	1	noname	0.0275
5	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0688
6	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0124
7	O3     2.0650    -1.1691     0.0000	O.3	1	noname	-0.2667
8	C5     2.0850     1.2038     0.0000	C.2	1	noname	0.0377
9	C6    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0481
10	O4     3.4350     1.2038     0.0000	O.3	1	noname	-0.2749
11	C7     1.3900     2.4076     0.0000	C.2	1	noname	-0.0022
12	H1     0.1400    -2.6500     0.9051	H	1	noname	0.2216
13	H2    -1.7850     1.2038     0.0000	H	1	noname	0.0632
14	H3     2.2250    -1.4463     0.9051	H	1	noname	0.2183
15	H4    -0.5450     3.3515     0.0000	H	1	noname	0.0623
16	H5     3.7550     1.2038     0.9051	H	1	noname	0.2183
17	H6     1.9350     3.3515     0.0000	H	1	noname	0.0651
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	8	10	1
10	8	11	2
11	9	11	1
12	3	12	1
13	6	13	1
14	7	14	1
15	9	15	1
16	10	16	1
17	11	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1