@<TRIPOS>MOLECULE
DB02746
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9450    -1.2038     0.0000	O.2	1	noname	-0.2580
2	C1    -0.6950    -1.2038     0.0000	C.2	1	noname	0.0957
3	O2    -0.0200    -2.3729     0.0000	O.3	1	noname	-0.2180
4	C2     0.0000     0.0000     0.0000	C.2	1	noname	0.0449
5	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0449
6	C4    -0.6950     1.2038     0.0000	C.2	1	noname	0.0088
7	C5     2.0850    -1.2038     0.0000	C.2	1	noname	0.0957
8	C6     2.0850     1.2038     0.0000	C.2	1	noname	0.0088
9	C7    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0204
10	O3     3.3350    -1.2038     0.0000	O.2	1	noname	-0.2580
11	O4     1.4100    -2.3729     0.0000	O.3	1	noname	-0.2180
12	C8     1.3900     2.4076     0.0000	C.2	1	noname	-0.0204
13	H1     0.1400    -2.6500     0.9051	H	1	noname	0.2216
14	H2    -1.7850     1.2038     0.0000	H	1	noname	0.0631
15	H3     3.1750     1.2038     0.0000	H	1	noname	0.0631
16	H4    -0.5450     3.3515     0.0000	H	1	noname	0.0622
17	H5     1.2500    -2.6500     0.9051	H	1	noname	0.2216
18	H6     1.9350     3.3515     0.0000	H	1	noname	0.0622
@<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	5	8	1
8	6	9	2
9	7	10	2
10	7	11	1
11	8	12	2
12	9	12	1
13	3	13	1
14	6	14	1
15	8	15	1
16	9	16	1
17	11	17	1
18	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1