@<TRIPOS>MOLECULE
DB04179
15 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3575    -0.0090    -0.0720	O.3	1	noname	-0.3627
2	C1     0.0108    -0.0121     0.0253	C.2	1	noname	0.0329
3	C2     1.7793     1.2821    -0.0423	C.2	1	noname	0.0441
4	C3    -0.4352     1.3273     0.0786	C.2	1	noname	0.0033
5	C4    -0.8963    -1.1070     0.0475	C.2	1	noname	-0.0058
6	C5     0.6862     2.1444     0.0682	C.2	1	noname	0.0105
7	C6    -1.8155     1.6634     0.0781	C.2	1	noname	-0.0338
8	C7    -2.2945    -0.7929     0.1393	C.2	1	noname	-0.0438
9	C8    -2.7498     0.5736     0.1304	C.2	1	noname	-0.0523
10	H1     2.8267     1.5786    -0.0981	H	1	noname	0.0901
11	H2    -0.5381    -2.1352    -0.0032	H	1	noname	0.0650
12	H3     0.7045     3.2323     0.1331	H	1	noname	0.0651
13	H4    -2.1406     2.7030     0.0395	H	1	noname	0.0629
14	H5    -3.0199    -1.6026     0.2168	H	1	noname	0.0623
15	H6    -3.8183     0.7864     0.1638	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	7	1
7	4	6	1
8	5	8	2
9	7	9	2
10	8	9	1
11	3	10	1
12	5	11	1
13	6	12	1
14	7	13	1
15	8	14	1
16	9	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1