@<TRIPOS>MOLECULE
DB03554
12 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -1.0679    -1.8497     0.0000	I	1	noname	-0.0378
2	C1    -0.0429    -0.0744     0.0000	C.2	1	noname	0.0691
3	C2     1.3816    -0.0088     0.0000	C.2	1	noname	0.0802
4	C3    -0.6985     1.1921     0.0000	C.2	1	noname	-0.0277
5	O1     2.0408    -1.0709     0.0000	O.2	1	noname	-0.2821
6	N1     2.0471     1.1926    -0.0000	N.3	1	noname	0.0821
7	N2     0.0093     2.3692    -0.0000	N.3	1	noname	0.0217
8	C4     1.3898     2.4072    -0.0000	C.2	1	noname	0.0210
9	O2     2.0148     3.4897    -0.0000	O.2	1	noname	-0.2829
10	H1    -1.7861     1.2634     0.0000	H	1	noname	0.0767
11	H2     3.0571     1.1827    -0.0000	H	1	noname	0.1418
12	H3    -0.5043     3.2388    -0.0000	H	1	noname	0.1379
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	6	8	1
8	7	8	1
9	8	9	2
10	4	10	1
11	6	11	1
12	7	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1