@<TRIPOS>MOLECULE
DB06906
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6493    -1.6588    -0.2096	O.2	1	noname	-0.2524
2	C1    -0.5570    -1.1135     0.0588	C.2	1	noname	0.1074
3	O2     0.5261    -1.8710     0.3337	O.3	1	noname	-0.2038
4	C2    -0.4576     0.2729     0.0743	C.2	1	noname	0.0440
5	C3     0.6630    -3.1549    -0.2572	C.3	1	noname	0.0539
6	C4     0.7596     0.9533     0.3729	C.2	1	noname	0.1162
7	C5    -1.5647     1.1265    -0.2072	C.2	1	noname	0.0693
8	C6     1.9682    -3.7977     0.2163	C.3	1	noname	-0.0409
9	O3     1.8656     0.2317     0.6533	O.3	1	noname	-0.2406
10	N1     0.8343     2.3247     0.3823	N.2	1	noname	-0.1981
11	N2    -1.4428     2.4944    -0.1861	N.2	1	noname	-0.2385
12	C7    -0.2526     3.1308     0.1062	C.2	1	noname	0.1090
13	N3    -0.1567     4.4673     0.1211	N.3	1	noname	-0.0751
14	H1    -0.1655    -3.7451     0.1343	H	1	noname	0.0570
15	H2     0.7450    -2.9745    -1.3291	H	1	noname	0.0570
16	H3    -2.5452     0.7162    -0.4487	H	1	noname	0.0850
17	H4     1.9929    -3.8098     1.3059	H	1	noname	0.0254
18	H5     2.0277    -4.8190    -0.1599	H	1	noname	0.0254
19	H6     2.8140    -3.2222    -0.1599	H	1	noname	0.0254
20	H7     1.9704     0.1634     1.6051	H	1	noname	0.2199
21	H8     0.7519     4.9084     0.1267	H	1	noname	0.1273
22	H9    -0.9930     5.0336     0.1267	H	1	noname	0.1273
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	6	9	1
9	6	10	1
10	7	11	2
11	10	12	2
12	11	12	1
13	12	13	1
14	5	14	1
15	5	15	1
16	7	16	1
17	8	17	1
18	8	18	1
19	8	19	1
20	9	20	1
21	13	21	1
22	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1