@<TRIPOS>MOLECULE
DB01020
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.2052     3.9816    -2.2871	O.2	1	noname	-0.0979
2	N1    -0.1766     3.3562    -1.3813	N.2	1	noname	0.0542
3	O2     0.0759     2.1184    -1.3161	O.3	1	noname	-0.0844
4	O3    -0.8436     3.9149    -0.4631	O.3	1	noname	-0.0979
5	C1    -0.4919     1.5804    -0.1269	C.3	1	noname	0.1446
6	C2    -0.2575     0.0657     0.0807	C.3	1	noname	0.1177
7	C3     0.2529     2.1114     1.1123	C.3	1	noname	0.0791
8	O4    -0.2524    -0.8222    -1.0475	O.3	1	noname	-0.3696
9	C4     1.0893    -0.0080     0.7760	C.3	1	noname	0.1147
10	O5     1.4214     1.2816     1.2984	O.3	1	noname	-0.3696
11	C5     1.1175    -1.1088    -1.3559	C.3	1	noname	0.0760
12	C6     2.0592    -0.5034    -0.3103	C.3	1	noname	0.1062
13	O6     2.8895    -1.5230     0.2257	O.3	1	noname	-0.3878
14	H1    -1.5261     1.8783    -0.2990	H	1	noname	0.0687
15	H2    -1.1265    -0.3644     0.5787	H	1	noname	0.0661
16	H3     0.6232     3.1113     0.8862	H	1	noname	0.0596
17	H4    -0.3778     1.9484     1.9862	H	1	noname	0.0596
18	H5     1.1213    -0.6263     1.6731	H	1	noname	0.0660
19	H6     1.2045    -2.1932    -1.2889	H	1	noname	0.0594
20	H7     1.3087    -0.6041    -2.3029	H	1	noname	0.0594
21	H8     2.7664     0.2354    -0.6875	H	1	noname	0.0653
22	H9     2.8609    -1.4878     1.1846	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	5	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	8	11	1
11	9	12	1
12	9	10	1
13	11	12	1
14	12	13	1
15	5	14	1
16	6	15	1
17	7	16	1
18	7	17	1
19	9	18	1
20	11	19	1
21	11	20	1
22	12	21	1
23	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1