@<TRIPOS>MOLECULE
DB04641
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.1000     0.1212     0.0000	O.2	1	noname	-0.2570
2	C1     3.4750     1.2038     0.0000	C.2	1	noname	0.0942
3	O2     4.1500     2.3729     0.0000	O.3	1	noname	-0.2173
4	C2     2.0850     1.2038     0.0000	C.2	1	noname	0.0257
5	C3     1.3900     2.4076     0.0000	C.2	1	noname	0.0519
6	C4     1.3900     0.0000     0.0000	C.2	1	noname	0.0166
7	O3     2.0650     3.5767     0.0000	O.3	1	noname	-0.2757
8	C5    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0052
9	C6     0.0000     0.0000     0.0000	C.2	1	noname	-0.0285
10	C7    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0245
11	C8    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0195
12	C9    -2.0850     1.2038     0.0000	C.2	1	noname	-0.0320
13	C10    -2.0850    -1.2038     0.0000	C.2	1	noname	0.0028
14	C11    -2.7800     0.0000     0.0000	C.2	1	noname	-0.0268
15	O4    -2.7600    -2.3729     0.0000	O.3	1	noname	-0.2856
16	H1     4.3100     2.6500     0.9051	H	1	noname	0.2216
17	H2     1.9350    -0.9440     0.0000	H	1	noname	0.0638
18	H3     2.2250     3.8538     0.9051	H	1	noname	0.2182
19	H4    -0.5450     3.3515     0.0000	H	1	noname	0.0656
20	H5    -0.1500    -2.1477     0.0000	H	1	noname	0.0656
21	H6    -2.6300     2.1477     0.0000	H	1	noname	0.0630
22	H7    -3.8700     0.0000     0.0000	H	1	noname	0.0650
23	H8    -2.9200    -2.6500     0.9051	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	9	1
9	8	10	1
10	9	11	2
11	9	10	1
12	10	12	2
13	11	13	1
14	12	14	1
15	13	15	1
16	13	14	2
17	3	16	1
18	6	17	1
19	7	18	1
20	8	19	1
21	11	20	1
22	12	21	1
23	14	22	1
24	15	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1