@<TRIPOS>MOLECULE
DB02795
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8865    -1.3245    -0.0086	O.2	1	noname	-0.2602
2	C1    -0.6441    -1.2279     0.0903	C.2	1	noname	0.0804
3	O2     0.1030    -2.3299     0.3137	O.3	1	noname	-0.2194
4	C2    -0.0319     0.0142    -0.0299	C.2	1	noname	-0.0157
5	C3     1.3495     0.1217     0.0800	C.2	1	noname	0.0048
6	C4    -0.8012     1.1488    -0.2600	C.2	1	noname	0.0048
7	C5     1.9618     1.3638    -0.0402	C.2	1	noname	-0.0123
8	C6    -0.1890     2.3910    -0.3802	C.2	1	noname	-0.0123
9	C7     1.1925     2.4984    -0.2703	C.2	1	noname	0.0236
10	O3     1.7871     3.7048    -0.3870	O.3	1	noname	-0.2743
11	C8     1.8760     4.3145     0.8923	C.3	1	noname	0.0423
12	H1     0.1960    -2.4671     1.2593	H	1	noname	0.2216
13	H2     1.9528    -0.7681     0.2604	H	1	noname	0.0632
14	H3    -1.8845     1.0646    -0.3462	H	1	noname	0.0632
15	H4     3.0451     1.4481     0.0460	H	1	noname	0.0650
16	H5    -0.7922     3.2807    -0.5606	H	1	noname	0.0650
17	H6     1.9294     3.5423     1.6598	H	1	noname	0.0535
18	H7     2.7713     4.9345     0.9379	H	1	noname	0.0535
19	H8     0.9956     4.9345     1.0613	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	9	10	1
11	10	11	1
12	3	12	1
13	5	13	1
14	6	14	1
15	7	15	1
16	8	16	1
17	11	17	1
18	11	18	1
19	11	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1