@<TRIPOS>MOLECULE
DB04166
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9450    -1.2038     0.0000	O.2	1	noname	-0.2587
2	C1    -0.6950    -1.2038     0.0000	C.2	1	noname	0.0838
3	O2    -0.0200    -2.3729     0.0000	O.3	1	noname	-0.2184
4	C2     0.0000     0.0000     0.0000	C.2	1	noname	-0.0196
5	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0153
6	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0107
7	N1     2.0600    -1.1605     0.0000	N.3	1	noname	-0.1439
8	C5     2.0850     1.2038     0.0000	C.2	1	noname	-0.0542
9	C6    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0762
10	C7     1.3900     2.4076     0.0000	C.2	1	noname	-0.0391
11	H1     0.1400    -2.6500     0.9051	H	1	noname	0.2216
12	H2    -1.7850     1.2038     0.0000	H	1	noname	0.0631
13	H3     1.5550    -2.0352     0.0000	H	1	noname	0.1243
14	H4     3.0700    -1.1605     0.0000	H	1	noname	0.1243
15	H5     3.1750     1.2038     0.0000	H	1	noname	0.0639
16	H6    -0.5450     3.3515     0.0000	H	1	noname	0.0622
17	H7     1.9350     3.3515     0.0000	H	1	noname	0.0623
@<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	5	8	1
8	6	9	2
9	8	10	2
10	9	10	1
11	3	11	1
12	6	12	1
13	7	13	1
14	7	14	1
15	8	15	1
16	9	16	1
17	10	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1