@<TRIPOS>MOLECULE
DB03422
11 11 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.0043    -0.0141    -0.0000	S.3	1	noname	-0.1437
2	C1     1.7666     0.0031    -0.0000	C.2	1	noname	0.0814
3	C2    -0.4204     1.7035     0.0000	C.2	1	noname	0.1088
4	N1     1.9829     1.3377     0.0000	N.2	1	noname	-0.1874
5	C3     0.9039     2.1836     0.0000	C.2	1	noname	0.0856
6	C4     1.1233     3.5561     0.0000	C.2	1	noname	0.1188
7	O1     2.2909     4.0024     0.0000	O.2	1	noname	-0.2473
8	O2     0.0754     4.4072     0.0000	O.3	1	noname	-0.2103
9	H1     2.5982    -0.7017    -0.0000	H	1	noname	0.0959
10	H2    -1.3087     2.3351     0.0000	H	1	noname	0.0765
11	H3    -0.1730     4.6090     0.9051	H	1	noname	0.2217
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	3	5	2
5	4	5	1
6	5	6	1
7	6	7	2
8	6	8	1
9	2	9	1
10	3	10	1
11	8	11	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
