@<TRIPOS>MOLECULE
DB01848
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7002    -1.5700    -0.3861	O.2	1	noname	-0.2566
2	C1     1.8584    -0.9439     0.2935	C.2	1	noname	0.1343
3	O2     1.4905    -1.4077     1.5067	O.3	1	noname	-0.2194
4	C2     1.2730     0.2891    -0.2250	C.3	1	noname	0.1270
5	O3     1.5703     1.3616     0.6569	O.3	1	noname	-1.0345
6	C3    -0.2442     0.1259    -0.3362	C.3	1	noname	0.0631
7	C4    -0.8296     1.3588    -0.8546	C.2	1	noname	0.1366
8	C5    -0.5646    -1.0297    -1.2864	C.3	1	noname	0.0454
9	O4    -1.6715     1.9849    -0.1751	O.2	1	noname	-0.2547
10	O5    -0.4617     1.8226    -2.0679	O.3	1	noname	-0.2179
11	C6    -2.0124    -1.1854    -1.3924	C.2	1	noname	0.1352
12	O6    -2.5739    -1.0681    -2.5030	O.2	1	noname	-0.2557
13	O7    -2.7447    -1.4562    -0.2911	O.3	1	noname	-0.2187
14	H1     1.4935    -2.3676     1.4967	H	1	noname	0.2212
15	H2     1.7425     0.5286    -1.1791	H	1	noname	0.0351
16	H3    -0.6862    -0.0480     0.6449	H	1	noname	0.0411
17	H4    -0.2202    -0.7438    -2.2802	H	1	noname	0.0380
18	H5    -0.1975    -1.9466    -0.8252	H	1	noname	0.0380
19	H6    -0.2843     1.0826    -2.6531	H	1	noname	0.2213
20	H7    -2.8177    -2.4071    -0.1812	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	1
11	11	12	2
12	11	13	1
13	3	14	1
14	4	15	1
15	6	16	1
16	8	17	1
17	8	18	1
18	10	19	1
19	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1