@<TRIPOS>MOLECULE
DB02999
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1033    -1.5035     0.5169	O.2	1	noname	-0.2348
2	C1     0.4741    -0.3224     0.3437	C.2	1	noname	0.1156
3	O2     1.7291     0.0795     0.0505	O.3	1	noname	-0.1607
4	N1    -0.3040     0.7644     0.4166	N.3	1	noname	0.1212
5	N2     1.7207     1.3765    -0.0535	N.3	1	noname	0.0741
6	C2     0.4762     1.8234     0.1684	C.2	1	noname	0.0642
7	C3     2.8392     2.1817    -0.3513	C.3	1	noname	0.0592
8	O3     0.1092     3.0182     0.1472	O.2	1	noname	-0.2682
9	C4     3.9110     1.9830     0.7224	C.3	1	noname	0.1070
10	N3     5.0708     2.8179     0.4136	N.3	1	noname	-0.3182
11	C5     4.3152     0.5804     0.7528	C.2	1	noname	0.1444
12	O4     4.1698    -0.0894     1.7981	O.2	1	noname	-0.2492
13	O5     4.8461     0.0069    -0.3480	O.3	1	noname	-0.2136
14	H1    -1.2931     0.7820     0.6205	H	1	noname	0.1440
15	H2     3.2280     1.7980    -1.2946	H	1	noname	0.0483
16	H3     2.4805     3.2090    -0.2873	H	1	noname	0.0483
17	H4     3.5498     2.2538     1.7145	H	1	noname	0.0586
18	H5     5.9824     2.3963     0.3069	H	1	noname	0.1192
19	H6     4.9604     3.8161     0.3069	H	1	noname	0.1192
20	H7     4.8049    -0.9484    -0.2626	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	5	6	1
8	6	8	2
9	7	9	1
10	9	10	1
11	9	11	1
12	11	12	2
13	11	13	1
14	4	14	1
15	7	15	1
16	7	16	1
17	9	17	1
18	10	18	1
19	10	19	1
20	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1