@<TRIPOS>MOLECULE
DB02585
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9296    -0.8632     0.3907	O.3	1	noname	-0.3915
2	C1    -0.7788    -1.3110    -0.3105	C.3	1	noname	0.0683
3	C2     0.1337    -0.1898    -0.5147	C.2	1	noname	-0.0395
4	C3     1.1086     0.0946     0.4345	C.2	1	noname	-0.0407
5	C4     0.0276     0.5933    -1.6582	C.2	1	noname	-0.0407
6	C5     1.9773     1.1621     0.2401	C.2	1	noname	-0.0334
7	C6     0.8964     1.6608    -1.8525	C.2	1	noname	-0.0334
8	C7     1.8712     1.9452    -0.9034	C.2	1	noname	-0.0249
9	C8     2.7213     2.9897    -1.0936	C.2	1	noname	-0.0768
10	N1     2.6239     3.7080    -2.1425	N.2	1	noname	-0.2746
11	N2     3.6400     3.2577    -0.1991	N.3	1	noname	-0.1374
12	H1    -1.7724    -0.9243     1.3357	H	1	noname	0.2105
13	H2    -0.2769    -2.0208     0.3471	H	1	noname	0.0614
14	H3    -1.1246    -1.6297    -1.2939	H	1	noname	0.0614
15	H4     1.1918    -0.5194     1.3312	H	1	noname	0.0626
16	H5    -0.7369     0.3703    -2.4024	H	1	noname	0.0626
17	H6     2.7418     1.3852     0.9844	H	1	noname	0.0630
18	H7     0.8132     2.2749    -2.7492	H	1	noname	0.0630
19	H8     2.5487     3.1110    -2.9536	H	1	noname	0.1888
20	H9     4.2392     2.5214     0.1458	H	1	noname	0.1257
21	H10     3.7492     4.2007     0.1458	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	2
4	3	5	1
5	4	6	1
6	5	7	2
7	6	8	2
8	7	8	1
9	8	9	1
10	9	10	2
11	9	11	1
12	1	12	1
13	2	13	1
14	2	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	10	19	1
20	11	20	1
21	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1