@<TRIPOS>MOLECULE
DB03946
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9450    -1.2038     0.0000	O.2	1	noname	-0.2599
2	C1    -0.6950    -1.2038     0.0000	C.2	1	noname	0.0824
3	O2    -0.0200    -2.3729     0.0000	O.3	1	noname	-0.2192
4	C2     0.0000     0.0000     0.0000	C.2	1	noname	-0.0083
5	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0300
6	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0083
7	C5     2.0850     1.2038     0.0000	C.2	1	noname	0.0401
8	C6    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0061
9	O3     3.4350     1.2038     0.0000	O.3	1	noname	-0.2747
10	C7     1.3900     2.4076     0.0000	C.2	1	noname	0.0449
11	O4     2.0650     3.5767     0.0000	O.3	1	noname	-0.2732
12	H1     0.1400    -2.6500     0.9051	H	1	noname	0.2216
13	H2     1.9350    -0.9440     0.0000	H	1	noname	0.0659
14	H3    -1.7850     1.2038     0.0000	H	1	noname	0.0632
15	H4    -0.5450     3.3515     0.0000	H	1	noname	0.0651
16	H5     3.7550     1.2038     0.9051	H	1	noname	0.2183
17	H6     2.2250     3.8538     0.9051	H	1	noname	0.2183
@<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	6	8	2
8	7	9	1
9	7	10	2
10	8	10	1
11	10	11	1
12	3	12	1
13	5	13	1
14	6	14	1
15	8	15	1
16	9	16	1
17	11	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1