@<TRIPOS>MOLECULE
DB02305
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.2502    -0.9833     0.5388	O.2	1	noname	-0.2457
2	C1    -1.7352    -0.3766    -0.4251	C.2	1	noname	0.1212
3	O2    -2.5080     0.0419    -1.4499	O.3	1	noname	-0.2091
4	C2    -0.3963    -0.1381    -0.4415	C.2	1	noname	0.0720
5	O3     0.4161    -1.0264     0.1881	O.3	1	noname	-0.2275
6	C3     0.0413     0.9660    -1.0822	C.2	1	noname	0.0429
7	C4     1.7121    -0.5082     0.6052	C.3	1	noname	0.1897
8	C5     1.4704     1.2974    -1.1272	C.3	1	noname	0.1061
9	O4     2.5241    -1.5786     1.0649	O.3	1	noname	-0.3653
10	C6     2.4581     0.2625    -0.5142	C.3	1	noname	0.1346
11	O5     1.8494     1.5775    -2.4667	O.3	1	noname	-0.3859
12	O6     3.5727     0.9439     0.0422	O.3	1	noname	-0.3846
13	H1    -2.8601    -0.7194    -1.9168	H	1	noname	0.2217
14	H2    -0.7356     1.5716    -1.5489	H	1	noname	0.0633
15	H3     1.5048     0.1390     1.4574	H	1	noname	0.0954
16	H4     1.5234     2.2196    -0.5486	H	1	noname	0.0676
17	H5     2.5300    -1.5864     2.0249	H	1	noname	0.2134
18	H6     2.8931    -0.4019    -1.2609	H	1	noname	0.0685
19	H7     1.9834     0.7533    -2.9404	H	1	noname	0.2110
20	H8     3.5213     0.9125     1.0003	H	1	noname	0.2108
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	10	1
12	10	12	1
13	3	13	1
14	6	14	1
15	7	15	1
16	8	16	1
17	9	17	1
18	10	18	1
19	11	19	1
20	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1