@<TRIPOS>MOLECULE
DB04079
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1146    -2.1451     0.4056	O.3	1	noname	-0.3879
2	C1     1.8627    -0.7482     0.3648	C.3	1	noname	0.1030
3	C2     0.7002    -0.4673    -0.5895	C.3	1	noname	0.0823
4	C3     1.5022    -0.2538     1.7671	C.3	1	noname	0.0717
5	O2     1.0347    -0.9261    -1.8910	O.3	1	noname	-0.3902
6	C4     0.4287     1.0378    -0.6334	C.3	1	noname	-0.0244
7	O3     2.5811    -0.5146     2.6528	O.3	1	noname	-0.3934
8	C5    -0.7338     1.3188    -1.5876	C.3	1	noname	-0.0510
9	C6    -1.0052     2.8238    -1.6316	C.3	1	noname	-0.0560
10	C7    -2.1677     3.1048    -2.5858	C.3	1	noname	-0.0654
11	H1     2.1667    -2.4343     1.3195	H	1	noname	0.2106
12	H2     2.7881    -0.2956     0.0088	H	1	noname	0.0651
13	H3    -0.1922    -1.0245    -0.3046	H	1	noname	0.0628
14	H4     1.4125     0.8318     1.7298	H	1	noname	0.0591
15	H5     0.6720    -0.8569     2.1348	H	1	noname	0.0591
16	H6     1.0373    -1.8860    -1.9010	H	1	noname	0.2105
17	H7     0.0946     1.3265     0.3632	H	1	noname	0.0294
18	H8     1.3126     1.5044    -1.0683	H	1	noname	0.0294
19	H9     2.2756    -0.4407     3.5599	H	1	noname	0.2101
20	H10    -0.3996     1.0301    -2.5842	H	1	noname	0.0267
21	H11    -1.6177     0.8522    -1.1527	H	1	noname	0.0267
22	H12    -1.3394     3.1125    -0.6350	H	1	noname	0.0264
23	H13    -0.1213     3.2904    -2.0665	H	1	noname	0.0264
24	H14    -3.0668     3.3220    -2.0091	H	1	noname	0.0230
25	H15    -1.9232     3.9613    -3.2141	H	1	noname	0.0230
26	H16    -2.3413     2.2311    -3.2141	H	1	noname	0.0230
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	6	8	1
8	8	9	1
9	9	10	1
10	1	11	1
11	2	12	1
12	3	13	1
13	4	14	1
14	4	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	8	20	1
20	8	21	1
21	9	22	1
22	9	23	1
23	10	24	1
24	10	25	1
25	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1