@<TRIPOS>MOLECULE
DB04454
16 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6619    -1.8542    -1.3726	O.2	1	noname	-0.2496
2	C1    -0.1393    -0.7192    -1.3383	C.2	1	noname	0.1437
3	O2     0.2041    -0.0992    -2.4873	O.3	1	noname	-0.2140
4	C2     0.0997    -0.0641    -0.0557	C.3	1	noname	0.0910
5	N1    -0.6355     1.1987    -0.0090	N.3	1	noname	-0.3194
6	C3     1.5962     0.2108     0.1056	C.3	1	noname	-0.0312
7	C4     1.8466     0.8974     1.4498	C.3	1	noname	-0.0634
8	H1     0.4045    -0.7563    -3.1579	H	1	noname	0.2213
9	H2    -0.2835    -0.7116     0.7330	H	1	noname	0.0571
10	H3    -0.1336     2.0750     0.0072	H	1	noname	0.1191
11	H4    -1.6454     1.1948     0.0072	H	1	noname	0.1191
12	H5     2.0912    -0.7592     0.1507	H	1	noname	0.0285
13	H6     1.8699     0.9269    -0.6693	H	1	noname	0.0285
14	H7     1.9906     0.1421     2.2223	H	1	noname	0.0231
15	H8     2.7388     1.5196     1.3793	H	1	noname	0.0231
16	H9     0.9889     1.5196     1.7053	H	1	noname	0.0231
@<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	3	8	1
8	4	9	1
9	5	10	1
10	5	11	1
11	6	12	1
12	6	13	1
13	7	14	1
14	7	15	1
15	7	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1