@<TRIPOS>MOLECULE
DB04267
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.1719    -1.4162     0.7215	O.2	1	noname	-0.2484
2	C1    -0.9002    -0.8936    -0.3810	C.2	1	noname	0.1136
3	O2    -1.6237    -1.2116    -1.4755	O.3	1	noname	-0.2110
4	C2     0.1471     0.0150    -0.4801	C.2	1	noname	0.0681
5	N1     1.2473    -0.0835     0.3651	N.2	1	noname	-0.1578
6	C3     0.1068     1.0653    -1.4545	C.2	1	noname	0.0426
7	C4     2.3302     0.7880     0.3239	C.2	1	noname	0.0681
8	C5     1.2161     1.9807    -1.5171	C.2	1	noname	-0.0070
9	C6     3.3946     0.6247     1.2029	C.2	1	noname	0.1136
10	C7     2.3403     1.8581    -0.6337	C.2	1	noname	0.0426
11	O3     3.2007     0.1295     2.3341	O.2	1	noname	-0.2484
12	O4     4.6378     1.0008     0.8348	O.3	1	noname	-0.2110
13	H1    -1.6777    -2.1666    -1.5570	H	1	noname	0.2217
14	H2    -0.7437     1.1649    -2.1289	H	1	noname	0.0647
15	H3     1.2046     2.7864    -2.2512	H	1	noname	0.0624
16	H4     3.1758     2.5560    -0.6885	H	1	noname	0.0647
17	H5     5.1687     1.1614     1.6184	H	1	noname	0.2217
@<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	1
9	7	10	2
10	8	10	1
11	9	11	2
12	9	12	1
13	3	13	1
14	6	14	1
15	8	15	1
16	10	16	1
17	12	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1