@<TRIPOS>MOLECULE
DB03454
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6750    -1.1691     0.0000	O.3	1	noname	-0.2769
2	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0124
3	C2     1.3900     0.0000     0.0000	C.2	1	noname	0.0184
4	C3    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0237
5	O2     2.0650    -1.1691     0.0000	O.3	1	noname	-0.2764
6	C4     2.0850     1.2038     0.0000	C.2	1	noname	-0.0356
7	C5    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0719
8	C6    -2.1550     1.2038     0.0000	C.3	1	noname	0.0107
9	C7     1.3900     2.4076     0.0000	C.2	1	noname	-0.0676
10	H1    -0.8350    -1.4463     0.9051	H	1	noname	0.2183
11	H2     2.2250    -1.4463     0.9051	H	1	noname	0.2183
12	H3     3.1750     1.2038     0.0000	H	1	noname	0.0651
13	H4    -0.5450     3.3515     0.0000	H	1	noname	0.0626
14	H5    -2.5183     1.2038     1.0277	H	1	noname	0.0280
15	H6    -2.5183     2.0938    -0.5138	H	1	noname	0.0280
16	H7    -2.5183     0.3138    -0.5138	H	1	noname	0.0280
17	H8     1.9350     3.3515     0.0000	H	1	noname	0.0623
@<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	4	8	1
8	6	9	2
9	7	9	1
10	1	10	1
11	5	11	1
12	6	12	1
13	7	13	1
14	8	14	1
15	8	15	1
16	8	16	1
17	9	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1