@<TRIPOS>MOLECULE
DB02111
12 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0679    -0.9811    -0.0000	O.2	1	noname	-0.2512
2	C1    -0.8256    -1.1197    -0.0000	C.2	1	noname	0.1252
3	O2    -0.2844    -2.3565    -0.0000	O.3	1	noname	-0.2136
4	C2    -0.0014    -0.0005    -0.0000	C.2	1	noname	0.1488
5	C3     1.3895     0.0002    -0.0000	C.2	1	noname	0.1571
6	C4    -0.4139     1.3288     0.0000	C.2	1	noname	0.1528
7	O3     2.1944    -1.0836    -0.0000	O.3	1	noname	-0.2321
8	N1     1.7801     1.2919     0.0000	N.2	1	noname	-0.1192
9	O4     0.7281     2.0621     0.0000	O.3	1	noname	-0.3028
10	H1    -0.1562    -2.6497     0.9051	H	1	noname	0.2216
11	H2    -1.4317     1.7190    -0.0000	H	1	noname	0.0934
12	H3     2.3852    -1.3405     0.9051	H	1	noname	0.2200
@<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	5	8	2
8	6	9	1
9	8	9	1
10	3	10	1
11	6	11	1
12	7	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
