@<TRIPOS>MOLECULE
DB04744
19 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9518    -1.3514    -0.1191	O.2	1	noname	-0.2835
2	C1     1.3314    -0.2782    -0.2800	C.2	1	noname	0.0988
3	C2     1.8496     0.8263    -1.0796	C.2	1	noname	0.0557
4	C3     0.0018    -0.0147     0.3260	C.2	1	noname	0.0229
5	O2     3.0236     0.6672    -1.6618	O.3	1	noname	-0.2689
6	C4     1.2106     1.9975    -1.2637	C.2	1	noname	0.0863
7	C5    -0.6847     1.2399     0.1170	C.2	1	noname	0.0246
8	C6    -0.5914    -1.0372     1.1189	C.2	1	noname	-0.0040
9	C7    -0.0915     2.3272    -0.6953	C.2	1	noname	0.0895
10	C8    -1.9633     1.4722     0.7000	C.2	1	noname	-0.0068
11	C9    -1.8762    -0.7977     1.6958	C.2	1	noname	-0.0298
12	O3    -0.6558     3.4276    -0.8773	O.2	1	noname	-0.2953
13	C10    -2.5553     0.4425     1.4910	C.2	1	noname	-0.0276
14	H1     3.7038     0.5750    -0.9907	H	1	noname	0.2183
15	H2     1.7627     2.6982    -1.8902	H	1	noname	0.0692
16	H3    -0.0733    -1.9825     1.2807	H	1	noname	0.0630
17	H4    -2.4787     2.4198     0.5437	H	1	noname	0.0630
18	H5    -2.3455    -1.5729     2.3014	H	1	noname	0.0622
19	H6    -3.5341     0.6044     1.9424	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	2
6	4	7	2
7	4	8	1
8	6	9	1
9	7	10	1
10	7	9	1
11	8	11	2
12	9	12	2
13	10	13	2
14	11	13	1
15	5	14	1
16	6	15	1
17	8	16	1
18	10	17	1
19	11	18	1
20	13	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1