@<TRIPOS>MOLECULE
DB04417
15 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2648    -1.3882     0.4440	O.2	1	noname	-0.1451
2	N1    -1.0038    -0.6807    -0.4440	N.2	1	noname	-0.0189
3	O2    -1.7325    -0.6680    -1.4779	O.3	1	noname	-0.1451
4	C1     0.0404     0.0987    -0.3721	C.2	1	noname	0.0201
5	C2     1.1481    -0.2902     0.3721	C.2	1	noname	0.0362
6	C3     0.0450     1.3179    -1.0398	C.2	1	noname	0.0362
7	C4     2.2603     0.5400     0.4487	C.2	1	noname	-0.0045
8	C5     1.1572     2.1480    -0.9633	C.2	1	noname	-0.0045
9	C6     2.2649     1.7591    -0.2190	C.2	1	noname	0.0310
10	O3     3.3451     2.5654    -0.1447	O.3	1	noname	-0.2829
11	H1     1.1445    -1.2462     0.8957	H	1	noname	0.0648
12	H2    -0.8236     1.6228    -1.6235	H	1	noname	0.0648
13	H3     3.1289     0.2350     1.0323	H	1	noname	0.0650
14	H4     1.1608     3.1040    -1.4869	H	1	noname	0.0650
15	H5     3.5612     2.7267     0.7767	H	1	noname	0.2181
@<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	2
8	7	9	2
9	8	9	1
10	9	10	1
11	5	11	1
12	6	12	1
13	7	13	1
14	8	14	1
15	10	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1