@<TRIPOS>MOLECULE
DB02954
14 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.4398    -1.9068     0.0155	O.2	1	noname	-0.2389
2	C1     1.3578    -1.3638     0.3270	C.2	1	noname	0.0884
3	O2     0.4082    -2.0728     0.9735	O.3	1	noname	-0.2013
4	N1     1.1406    -0.0778     0.0191	N.3	1	noname	0.0522
5	O3     2.1386     0.7526    -0.0459	O.3	1	noname	-0.2974
6	C2    -0.1706     0.3746    -0.2342	C.3	1	noname	0.1204
7	C3    -0.1419     1.8011    -0.5440	C.2	1	noname	0.1437
8	O4    -0.7741     2.6087     0.1706	O.2	1	noname	-0.2497
9	O5     0.5674     2.2479    -1.6022	O.3	1	noname	-0.2140
10	H1     0.5305    -1.9815     1.9213	H	1	noname	0.2228
11	H2     2.4192     0.9860     0.8420	H	1	noname	0.2384
12	H3    -0.5036    -0.1468    -1.1317	H	1	noname	0.0570
13	H4    -0.7188     0.2554     0.7003	H	1	noname	0.0570
14	H5     0.9024     1.4997    -2.1018	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	6	7	1
7	7	8	2
8	7	9	1
9	3	10	1
10	5	11	1
11	6	12	1
12	6	13	1
13	9	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1