@<TRIPOS>MOLECULE
DB01688
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6750    -1.1691     0.0000	O.3	1	noname	-0.2874
2	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0111
3	C2     1.3900     0.0000     0.0000	C.2	1	noname	-0.0347
4	C3    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0347
5	C4     2.0850     1.2038     0.0000	C.2	1	noname	-0.0569
6	C5    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0569
7	C6     1.3900     2.4076     0.0000	C.2	1	noname	-0.0709
8	C7     2.1200     3.6719     0.0000	C.3	1	noname	-0.0045
9	H1    -0.8350    -1.4463     0.9051	H	1	noname	0.2181
10	H2     1.9350    -0.9440     0.0000	H	1	noname	0.0650
11	H3    -1.7850     1.2038     0.0000	H	1	noname	0.0650
12	H4     3.1750     1.2038     0.0000	H	1	noname	0.0626
13	H5    -0.5450     3.3515     0.0000	H	1	noname	0.0626
14	H6     2.3017     3.9866     1.0277	H	1	noname	0.0279
15	H7     3.0724     3.5416    -0.5138	H	1	noname	0.0279
16	H8     1.5309     4.4316    -0.5138	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	1	9	1
10	3	10	1
11	4	11	1
12	5	12	1
13	6	13	1
14	8	14	1
15	8	15	1
16	8	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1