@<TRIPOS>MOLECULE
DB02490
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.0310    -1.6341     0.3106	O.2	1	noname	-0.2506
2	C1     2.0337    -1.2948    -0.3622	C.2	1	noname	0.1423
3	O2     1.4899    -2.1586    -1.2458	O.3	1	noname	-0.2148
4	C2     1.4568     0.0356    -0.1924	C.3	1	noname	0.0868
5	N1     0.0669    -0.0880     0.2440	N.3	1	noname	-0.2694
6	C3    -0.5108     1.2442     0.4140	C.3	1	noname	0.1093
7	C4     0.0176    -0.8065     1.5163	C.3	1	noname	-0.0100
8	N2    -0.4615     1.9627    -0.8583	N.3	1	noname	-0.3035
9	N3    -1.9007     1.1206     0.8503	N.3	1	noname	-0.3035
10	H1     1.0455    -2.8647    -0.7710	H	1	noname	0.2213
11	H2     2.0015     0.5127     0.6222	H	1	noname	0.0539
12	H3     1.4372     0.4979    -1.1793	H	1	noname	0.0539
13	H4     0.0580     1.7939     1.1639	H	1	noname	0.0812
14	H5     0.0249    -1.8801     1.3278	H	1	noname	0.0395
15	H6     0.8849    -0.5376     2.1192	H	1	noname	0.0395
16	H7    -0.8937    -0.5376     2.0503	H	1	noname	0.0395
17	H8    -1.3185     2.2109    -1.3317	H	1	noname	0.1212
18	H9     0.4295     2.2109    -1.2640	H	1	noname	0.1212
19	H10    -2.4582     1.9492     1.0011	H	1	noname	0.1212
20	H11    -2.3033     0.2067     1.0011	H	1	noname	0.1212
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	3	10	1
10	4	11	1
11	4	12	1
12	6	13	1
13	7	14	1
14	7	15	1
15	7	16	1
16	8	17	1
17	8	18	1
18	9	19	1
19	9	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1