@<TRIPOS>MOLECULE
DB04072
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8930    -2.1649     0.5672	O.2	1	noname	-0.2439
2	C1     2.1434    -1.3183    -0.3177	C.2	1	noname	0.1518
3	O2     3.0045    -1.6172    -1.3135	O.3	1	noname	-0.2095
4	C2     1.5048    -0.0061    -0.2742	C.3	1	noname	0.1595
5	O3     1.8526     0.6497     0.9364	O.3	1	noname	-0.3787
6	C3    -0.0142    -0.1756    -0.3441	C.3	1	noname	0.0922
7	C4     1.9797     0.8319    -1.4629	C.3	1	noname	-0.0255
8	C5    -0.6528     1.1365    -0.3006	C.2	1	noname	0.1384
9	C6    -0.3889    -0.8822    -1.6484	C.3	1	noname	0.0489
10	O4    -1.4501     1.4133     0.6215	O.2	1	noname	-0.2535
11	O5    -0.3824     2.0509    -1.2563	O.3	1	noname	-0.2170
12	C7    -1.8384    -1.0440    -1.7152	C.2	1	noname	0.1352
13	O6    -2.4825    -0.5268    -2.6534	O.2	1	noname	-0.2556
14	O7    -2.4831    -1.7522    -0.7637	O.3	1	noname	-0.2187
15	H1     3.0775    -2.5707    -1.3980	H	1	noname	0.2214
16	H2     2.0464    -0.0053     1.6109	H	1	noname	0.2116
17	H3    -0.3796    -0.7359     0.5165	H	1	noname	0.0450
18	H4     2.3013     0.1711    -2.2679	H	1	noname	0.0265
19	H5     1.1616     1.4608    -1.8140	H	1	noname	0.0265
20	H6     2.8145     1.4608    -1.1536	H	1	noname	0.0265
21	H7    -0.1233    -0.2180    -2.4708	H	1	noname	0.0382
22	H8     0.0236    -1.8903    -1.6070	H	1	noname	0.0382
23	H9    -0.1513     1.6018    -2.0727	H	1	noname	0.2213
24	H10    -2.2065    -1.4484     0.1039	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	4	7	1
7	6	8	1
8	6	9	1
9	8	10	2
10	8	11	1
11	9	12	1
12	12	13	2
13	12	14	1
14	3	15	1
15	5	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	7	20	1
20	9	21	1
21	9	22	1
22	11	23	1
23	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1