@<TRIPOS>MOLECULE
DB04080
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.8009    -1.6196     0.3737	O.2	1	noname	-0.2498
2	C1    -1.7174    -1.0667     0.6616	C.2	1	noname	0.1438
3	O2    -1.6362    -0.2632     1.7434	O.3	1	noname	-0.2141
4	C2    -0.5398    -1.2899    -0.1720	C.3	1	noname	0.1553
5	C3    -0.0781    -0.0150    -0.7135	C.2	1	noname	-0.0452
6	C4     0.5203    -1.8890     0.6335	C.2	1	noname	0.1438
7	C5     0.8507     0.7433    -0.0102	C.2	1	noname	-0.0509
8	C6    -0.5673     0.4405    -1.9322	C.2	1	noname	-0.0509
9	O3     0.9814    -3.0095     0.3262	O.2	1	noname	-0.2498
10	O4     1.0026    -1.2328     1.7103	O.3	1	noname	-0.2141
11	C7     1.2902     1.9570    -0.5257	C.2	1	noname	-0.0590
12	C8    -0.1277     1.6542    -2.4477	C.2	1	noname	-0.0590
13	C9     0.8010     2.4125    -1.7444	C.2	1	noname	-0.0613
14	H1    -1.5766    -0.8000     2.5370	H	1	noname	0.2213
15	H2    -0.7967    -1.9610    -0.9916	H	1	noname	0.0568
16	H3     1.2343     0.3861     0.9455	H	1	noname	0.0625
17	H4    -1.2956    -0.1541    -2.4837	H	1	noname	0.0625
18	H5     1.2967    -1.8683     2.3670	H	1	noname	0.2213
19	H6     2.0185     2.5516     0.0258	H	1	noname	0.0622
20	H7    -0.5114     2.0114    -3.4034	H	1	noname	0.0622
21	H8     1.1457     3.3643    -2.1486	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	11	13	2
13	12	13	1
14	3	14	1
15	4	15	1
16	7	16	1
17	8	17	1
18	10	18	1
19	11	19	1
20	12	20	1
21	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1