@<TRIPOS>MOLECULE
DB02129
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6407    -1.1098     0.8286	O.2	1	noname	-0.2861
2	C1    -0.0026    -0.1784     0.2921	C.2	1	noname	0.0013
3	N1    -0.5206     1.2266     0.2713	N.3	1	noname	0.0764
4	N2     1.3237    -0.4040    -0.3667	N.3	1	noname	-0.0583
5	C2    -0.0231     2.0168    -0.8880	C.2	1	noname	0.0857
6	C3     2.1946     0.8020    -0.3688	C.3	1	noname	0.1094
7	O2    -0.7827     2.5895    -1.6989	O.2	1	noname	-0.2876
8	C4     1.5315     2.0654    -0.9991	C.3	1	noname	0.0471
9	C5     2.6133     1.1024     0.9972	C.2	1	noname	0.1443
10	O3     3.8283     1.1119     1.2907	O.2	1	noname	-0.2492
11	O4     1.6882     1.3698     1.9434	O.3	1	noname	-0.2137
12	H1    -1.1442     1.6040     0.9704	H	1	noname	0.1414
13	H2     1.6042    -1.2859    -0.7712	H	1	noname	0.1332
14	H3     3.0727     0.5204    -0.9499	H	1	noname	0.0583
15	H4     1.7632     2.0338    -2.0637	H	1	noname	0.0383
16	H5     1.8548     2.9138    -0.3959	H	1	noname	0.0383
17	H6     2.0784     1.2571     2.8133	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	2
7	5	8	1
8	6	9	1
9	6	8	1
10	9	10	2
11	9	11	1
12	3	12	1
13	4	13	1
14	6	14	1
15	8	15	1
16	8	16	1
17	11	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1