@<TRIPOS>MOLECULE
DB01702
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5102    -2.5146    -1.1358	O.2	1	noname	-0.2544
2	C1    -1.7163    -1.3575    -0.7102	C.2	1	noname	0.1371
3	O2    -2.4623    -0.4952    -1.4331	O.3	1	noname	-0.2177
4	C2    -1.1502    -0.9385     0.5688	C.3	1	noname	0.0587
5	C3    -0.2650     0.2034     0.3585	C.2	1	noname	-0.0542
6	C4     1.0839    -0.0025     0.0934	C.2	1	noname	-0.0177
7	C5    -0.7711     1.4963     0.4233	C.2	1	noname	-0.0578
8	C6     1.9266     1.0845    -0.1068	C.2	1	noname	0.0237
9	C7     0.0717     2.5834     0.2231	C.2	1	noname	-0.0227
10	O3     3.2367     0.8846    -0.3643	O.3	1	noname	-0.2760
11	C8     1.4206     2.3775    -0.0420	C.2	1	noname	0.0221
12	O4     2.2391     3.4333    -0.2364	O.3	1	noname	-0.2763
13	H1    -2.9562     0.0757    -0.8400	H	1	noname	0.2213
14	H2    -1.9807    -0.5844     1.1795	H	1	noname	0.0422
15	H3    -0.5261    -1.7598     0.9208	H	1	noname	0.0422
16	H4     1.4807    -1.0165     0.0425	H	1	noname	0.0654
17	H5    -1.8288     1.6578     0.6312	H	1	noname	0.0626
18	H6    -0.3252     3.5973     0.2739	H	1	noname	0.0651
19	H7     3.7178     0.8111     0.4632	H	1	noname	0.2183
20	H8     2.5130     3.7866     0.6131	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	1
10	8	11	2
11	9	11	1
12	11	12	1
13	3	13	1
14	4	14	1
15	4	15	1
16	6	16	1
17	7	17	1
18	9	18	1
19	10	19	1
20	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1