@<TRIPOS>MOLECULE
DB04225
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5299     0.1000     1.3776	O.2	1	noname	-0.2548
2	C1     0.8387    -0.6555     0.6607	C.2	1	noname	0.0903
3	O2     0.7177    -1.9622     0.9775	O.3	1	noname	-0.2154
4	C2     0.2087    -0.1611    -0.4385	C.2	1	noname	-0.0228
5	N1    -0.1869     1.0876    -0.4606	N.3	1	noname	-0.1301
6	C3    -0.0060    -0.9454    -1.4910	C.2	1	noname	-0.0204
7	C4    -1.5019     1.1730     0.0409	C.3	1	noname	-0.0113
8	C5    -0.6685    -0.4255    -2.6467	C.3	1	noname	-0.0449
9	H1     0.7087    -2.0604     1.9324	H	1	noname	0.2217
10	H2     0.4037     1.8347    -0.7968	H	1	noname	0.1279
11	H3     0.3471    -1.9734    -1.4096	H	1	noname	0.0591
12	H4    -1.4760     1.1713     1.1306	H	1	noname	0.0395
13	H5    -1.9654     2.0950    -0.3101	H	1	noname	0.0395
14	H6    -2.0808     0.3187    -0.3101	H	1	noname	0.0395
15	H7    -1.0226    -1.2508    -3.2645	H	1	noname	0.0274
16	H8    -1.5161     0.1852    -2.3357	H	1	noname	0.0274
17	H9     0.0282     0.1852    -3.2209	H	1	noname	0.0274
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	1
7	6	8	1
8	3	9	1
9	5	10	1
10	6	11	1
11	7	12	1
12	7	13	1
13	7	14	1
14	8	15	1
15	8	16	1
16	8	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1