@<TRIPOS>MOLECULE
DB00936
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9450    -1.2038     0.0000	O.2	1	noname	-0.2571
2	C1    -0.6950    -1.2038     0.0000	C.2	1	noname	0.0933
3	O2    -0.0200    -2.3729     0.0000	O.3	1	noname	-0.2173
4	C2     0.0000     0.0000     0.0000	C.2	1	noname	0.0197
5	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0467
6	C4    -0.6950     1.2038     0.0000	C.2	1	noname	0.0003
7	O3     2.0650    -1.1691     0.0000	O.3	1	noname	-0.2764
8	C5     2.0850     1.2038     0.0000	C.2	1	noname	-0.0163
9	C6    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0565
10	C7     1.3900     2.4076     0.0000	C.2	1	noname	-0.0288
11	H1     0.1400    -2.6500     0.9051	H	1	noname	0.2216
12	H2    -1.7850     1.2038     0.0000	H	1	noname	0.0632
13	H3     2.2250    -1.4463     0.9051	H	1	noname	0.2182
14	H4     3.1750     1.2038     0.0000	H	1	noname	0.0650
15	H5    -0.5450     3.3515     0.0000	H	1	noname	0.0622
16	H6     1.9350     3.3515     0.0000	H	1	noname	0.0623
@<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	2
10	9	10	1
11	3	11	1
12	6	12	1
13	7	13	1
14	8	14	1
15	9	15	1
16	10	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1