@<TRIPOS>MOLECULE
DB04161
12 11 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.7821     0.9798     0.4316	O.2	1	noname	-0.2986
2	C1     1.4995    -0.1123    -0.1069	C.2	1	noname	0.0323
3	N1     2.4369    -1.0621    -0.2278	N.3	1	noname	-0.0910
4	C2     0.1480    -0.3529    -0.6041	C.3	1	noname	0.0181
5	C3    -0.7014    -0.9730     0.5072	C.3	1	noname	-0.0571
6	H1     2.1676    -2.0345    -0.2734	H	1	noname	0.1271
7	H2     3.4127    -0.8056    -0.2734	H	1	noname	0.1271
8	H3    -0.2685     0.6292    -0.8277	H	1	noname	0.0358
9	H4     0.2476    -1.0957    -1.3956	H	1	noname	0.0358
10	H5    -0.6502    -2.0597     0.4402	H	1	noname	0.0235
11	H6    -0.3225    -0.6505     1.4770	H	1	noname	0.0235
12	H7    -1.7367    -0.6505     0.3961	H	1	noname	0.0235
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	1
10	5	11	1
11	5	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1