@<TRIPOS>MOLECULE
DB02124
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9880    -1.5615     1.3155	O.2	1	noname	-0.2590
2	C1    -1.2542    -0.6300     0.5256	C.2	1	noname	0.0995
3	O2    -2.5263    -0.4322     0.1195	O.3	1	noname	-0.2188
4	C2    -0.2622     0.1842     0.0754	C.2	1	noname	0.0694
5	C3     0.9851    -0.3179    -0.0461	C.2	1	noname	-0.0110
6	C4    -0.5897     1.5806    -0.2611	C.3	1	noname	0.0656
7	C5     2.0150     0.4472    -0.4899	C.2	1	noname	-0.0502
8	N1    -1.2080     1.6308    -1.5849	N.3	1	noname	-0.3213
9	C6     0.6692     2.5138    -0.2368	C.3	1	noname	0.0920
10	C7     1.8946     1.7877    -0.5935	C.2	1	noname	-0.0562
11	O3     0.8140     3.0796     1.0575	O.3	1	noname	-0.3869
12	H1    -3.0969    -0.3434     0.8863	H	1	noname	0.2216
13	H2     1.1637    -1.3600     0.2189	H	1	noname	0.0628
14	H3    -1.3293     1.8962     0.4748	H	1	noname	0.0546
15	H4     2.9575    -0.0242    -0.7685	H	1	noname	0.0620
16	H5    -2.2141     1.6481    -1.6720	H	1	noname	0.1191
17	H6    -0.6291     1.6481    -2.4124	H	1	noname	0.1191
18	H7     0.5841     3.3478    -0.9334	H	1	noname	0.0665
19	H8     2.7898     2.2854    -0.9665	H	1	noname	0.0603
20	H9     0.8868     2.3770     1.7076	H	1	noname	0.2109
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	2
10	9	11	1
11	9	10	1
12	3	12	1
13	5	13	1
14	6	14	1
15	7	15	1
16	8	16	1
17	8	17	1
18	9	18	1
19	10	19	1
20	11	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1