@<TRIPOS>MOLECULE
DB04594
18 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5950     2.5250    -0.0000	O.2	1	noname	-0.2551
2	C1    -1.9700     1.4425     0.0000	C.2	1	noname	0.1361
3	O2    -2.6450     0.2734    -0.0000	O.3	1	noname	-0.2182
4	C2    -0.5100     1.4425     0.0000	C.3	1	noname	0.0600
5	C3    -0.0000     0.0000     0.0000	C.3	1	noname	0.0727
6	O3    -0.4733    -0.6694    -1.1594	O.3	1	noname	-0.3919
7	C4     1.5300     0.0000     0.0000	C.3	1	noname	0.0600
8	C5     2.0167    -1.3765     0.0000	C.2	1	noname	0.1361
9	O4     3.2456    -1.6049    -0.0000	O.2	1	noname	-0.2551
10	O5     1.1394    -2.4026     0.0000	O.3	1	noname	-0.2182
11	H1    -2.8050    -0.0038     0.9051	H	1	noname	0.2213
12	H2    -0.2102     1.8977    -0.9440	H	1	noname	0.0399
13	H3    -0.2102     1.8977     0.9440	H	1	noname	0.0399
14	H4    -0.3981    -0.5629     0.8442	H	1	noname	0.0611
15	H5    -0.4187    -1.6185    -1.0257	H	1	noname	0.2104
16	H6     1.8592     0.4343    -0.9440	H	1	noname	0.0399
17	H7     1.8592     0.4343     0.9440	H	1	noname	0.0399
18	H8     0.9315    -2.6458     0.9051	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	7	8	1
8	8	9	2
9	8	10	1
10	3	11	1
11	4	12	1
12	4	13	1
13	5	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	10	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1