@<TRIPOS>MOLECULE
DB04479
18 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.1102    -1.2236     0.8465	O.2	1	noname	-0.1441
2	N1     3.2458    -1.8778     0.4199	N.2	1	noname	-0.0122
3	O2     3.4756    -3.0646     0.0471	O.3	1	noname	-0.1441
4	C1     2.0405    -1.3864     0.3266	C.2	1	noname	0.0487
5	C2     1.8174     0.0030     0.1153	C.2	1	noname	0.0767
6	C3     0.8836    -2.2188     0.4319	C.2	1	noname	0.0429
7	C4     0.5239     0.5504     0.0551	C.2	1	noname	0.0128
8	C5     2.7258     0.9810    -0.0724	C.2	1	noname	0.0111
9	C6    -0.4440    -1.6574     0.3761	C.2	1	noname	-0.0279
10	C7     0.6162     1.9879    -0.1380	C.2	1	noname	0.0694
11	C8    -0.6426    -0.2504     0.2071	C.2	1	noname	0.0134
12	C9     2.0583     2.1277    -0.2189	C.2	1	noname	0.0329
13	O3    -0.2840     2.8519    -0.2125	O.2	1	noname	-0.2992
14	H1     1.0153    -3.2937     0.5561	H	1	noname	0.0647
15	H2     3.8092     0.8651    -0.1006	H	1	noname	0.0631
16	H3    -1.3137    -2.3086     0.4634	H	1	noname	0.0623
17	H4    -1.6388     0.1918     0.1946	H	1	noname	0.0630
18	H5     2.6142     3.0510    -0.3821	H	1	noname	0.0663
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	7	10	1
10	7	11	2
11	8	12	2
12	9	11	1
13	10	13	2
14	10	12	1
15	6	14	1
16	8	15	1
17	9	16	1
18	11	17	1
19	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1