@<TRIPOS>MOLECULE
DB04347
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.0865     1.5485    -3.4511	O.2	1	noname	-0.2895
2	C1    -0.1386     0.8819    -2.9823	C.2	1	noname	0.1168
3	C2    -0.3537    -0.2938    -2.1386	C.2	1	noname	0.0783
4	C3     1.3586     1.2498    -3.2592	C.3	1	noname	0.1424
5	C4     0.6157    -0.9484    -1.4738	C.2	1	noname	0.0900
6	O2     1.4779     2.6550    -3.4251	O.3	1	noname	-0.3821
7	C5     2.3768     0.7659    -2.1871	C.3	1	noname	0.0917
8	C6     0.2477    -2.0260    -0.7303	C.2	1	noname	0.0999
9	C7     2.0334    -0.5925    -1.4877	C.3	1	noname	0.0075
10	O3     3.6713     0.6865    -2.7654	O.3	1	noname	-0.3895
11	O4    -0.8908    -2.0712    -0.2161	O.2	1	noname	-0.2599
12	O5     1.1118    -3.0470    -0.5477	O.3	1	noname	-0.2194
13	H1    -1.3419    -0.7287    -1.9892	H	1	noname	0.0666
14	H2     1.6481     0.8044    -4.2110	H	1	noname	0.0714
15	H3     1.5138     3.0770    -2.5636	H	1	noname	0.2112
16	H4     2.4312     1.5368    -1.4184	H	1	noname	0.0636
17	H5     2.2895    -0.4792    -0.4343	H	1	noname	0.0346
18	H6     2.4994    -1.3797    -2.0803	H	1	noname	0.0346
19	H7     4.3310     0.6461    -2.0692	H	1	noname	0.2105
20	H8     1.2375    -3.1956     0.3924	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	7	10	1
10	7	9	1
11	8	11	2
12	8	12	1
13	3	13	1
14	4	14	1
15	6	15	1
16	7	16	1
17	9	17	1
18	9	18	1
19	10	19	1
20	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1