@<TRIPOS>MOLECULE
DB02227
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9555    -1.3978    -0.6189	O.2	1	noname	-0.2451
2	C1    -1.1720    -0.4341    -0.7596	C.2	1	noname	0.1501
3	O2    -1.1189     0.2265    -1.9358	O.3	1	noname	-0.2105
4	C2    -0.2691    -0.0013     0.4063	C.3	1	noname	0.1455
5	O3     1.1221    -0.1227    -0.0343	O.3	1	noname	-0.3648
6	C3    -0.7349     1.4058     0.8821	C.3	1	noname	0.0118
7	C4     2.1225     0.7290     0.5928	C.3	1	noname	0.0763
8	C5     0.2307     2.5360     0.4273	C.3	1	noname	0.0853
9	C6     1.7568     2.2399     0.5897	C.3	1	noname	0.1034
10	O4    -0.0441     2.8784    -0.9231	O.3	1	noname	-0.3901
11	O5     2.2319     2.8443     1.7835	O.3	1	noname	-0.3879
12	H1    -1.0864    -0.4062    -2.6570	H	1	noname	0.2214
13	H2    -0.2862    -0.6576     1.2764	H	1	noname	0.0714
14	H3    -1.6830     1.5975     0.3796	H	1	noname	0.0326
15	H4    -0.6889     1.3885     1.9710	H	1	noname	0.0326
16	H5     2.1421     0.4071     1.6340	H	1	noname	0.0595
17	H6     3.0094     0.6135    -0.0302	H	1	noname	0.0595
18	H7    -0.0019     3.4179     1.0241	H	1	noname	0.0629
19	H8     2.2970     2.7209    -0.2258	H	1	noname	0.0652
20	H9    -0.1495     2.0772    -1.4413	H	1	noname	0.2105
21	H10     2.4814     2.1615     2.4105	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	8	10	1
10	8	9	1
11	9	11	1
12	3	12	1
13	4	13	1
14	6	14	1
15	6	15	1
16	7	16	1
17	7	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1