@<TRIPOS>MOLECULE
DB04120
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6750    -1.1691     0.0000	O.3	1	noname	-0.2763
2	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0194
3	C2     1.3900     0.0000     0.0000	C.2	1	noname	0.0121
4	C3    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0297
5	O2     2.0650    -1.1691     0.0000	O.3	1	noname	-0.2776
6	C4     2.0850     1.2038     0.0000	C.2	1	noname	-0.0268
7	C5    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0624
8	C6     1.3900     2.4076     0.0000	C.2	1	noname	-0.0694
9	C7    -0.7300     3.6719     0.0000	C.3	1	noname	-0.0027
10	H1    -0.8350    -1.4463     0.9051	H	1	noname	0.2183
11	H2    -1.7850     1.2038     0.0000	H	1	noname	0.0653
12	H3     2.2250    -1.4463     0.9051	H	1	noname	0.2183
13	H4     3.1750     1.2038     0.0000	H	1	noname	0.0651
14	H5     1.9350     3.3515     0.0000	H	1	noname	0.0626
15	H6    -0.9117     3.9866     1.0277	H	1	noname	0.0279
16	H7    -0.1409     4.4316    -0.5138	H	1	noname	0.0279
17	H8    -1.6824     3.5416    -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	3	6	1
6	4	7	2
7	6	8	2
8	7	9	1
9	7	8	1
10	1	10	1
11	4	11	1
12	5	12	1
13	6	13	1
14	8	14	1
15	9	15	1
16	9	16	1
17	9	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1