@<TRIPOS>MOLECULE
DB02945
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.2158     0.1546    -2.1745	O.2	1	noname	-0.2442
2	C1    -1.7682     0.4459    -1.0443	C.2	1	noname	0.1515
3	O2    -2.6005     0.9082    -0.0872	O.3	1	noname	-0.2098
4	C2    -0.2659     0.2773    -0.7435	C.3	1	noname	0.1743
5	O3    -0.1034    -0.6744     0.3703	O.3	1	noname	-0.3334
6	C3     0.3167     1.7103    -0.5206	C.3	1	noname	0.1186
7	C4     1.0566    -0.5372     1.2394	C.3	1	noname	0.1843
8	O4    -0.5565     2.6710    -1.0960	O.3	1	noname	-0.3869
9	C5     0.4830     2.0040     0.9929	C.3	1	noname	0.1139
10	O5     2.2321    -0.8699     0.5158	O.3	1	noname	-0.3656
11	C6     1.1969     0.8942     1.8249	C.3	1	noname	0.1332
12	O6     1.1665     3.2369     1.1635	O.3	1	noname	-0.3873
13	O7     0.7051     0.9111     3.1569	O.3	1	noname	-0.3849
14	H1    -3.0012     0.1674     0.3735	H	1	noname	0.2214
15	H2     0.3080    -0.2151    -1.5285	H	1	noname	0.0743
16	H3     1.2629     1.8414    -1.0455	H	1	noname	0.0662
17	H4     0.9352    -1.2851     2.0230	H	1	noname	0.0949
18	H5    -0.9999     3.1589    -0.3982	H	1	noname	0.2107
19	H6    -0.5156     2.1424     1.4073	H	1	noname	0.0658
20	H7     2.9409    -1.0706     1.1314	H	1	noname	0.2134
21	H8     2.2580     1.1344     1.8924	H	1	noname	0.0682
22	H9     1.2679     3.4197     2.1005	H	1	noname	0.2106
23	H10     0.5905     0.0098     3.4672	H	1	noname	0.2108
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	7	11	1
11	9	12	1
12	9	11	1
13	11	13	1
14	3	14	1
15	4	15	1
16	6	16	1
17	7	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
23	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1