@<TRIPOS>MOLECULE
DB01650
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.7986    -2.4664    -0.6319	O.2	1	noname	-0.2623
2	C1    -2.6333    -2.3944    -0.1853	C.2	1	noname	0.0915
3	O2    -2.0610    -3.4760     0.3849	O.3	1	noname	-0.2211
4	C2    -1.9421    -1.2265    -0.2737	C.2	1	noname	0.0609
5	C3    -0.7023    -1.1499     0.2015	C.2	1	noname	0.0016
6	C4    -0.0111     0.0180     0.1131	C.2	1	noname	-0.0178
7	C5     1.3743    -0.0011     0.0011	C.2	1	noname	0.0063
8	C6    -0.6900     1.2307     0.1347	C.2	1	noname	-0.0432
9	O3     2.0336    -1.1789    -0.0198	O.3	1	noname	-0.2836
10	C7     2.0807     1.1926    -0.0892	C.2	1	noname	-0.0308
11	C8     0.0165     2.4244     0.0443	C.2	1	noname	-0.0715
12	C9     1.4018     2.4054    -0.0677	C.2	1	noname	-0.0541
13	H1    -2.1041    -3.3945     1.3404	H	1	noname	0.2216
14	H2    -2.3867    -0.3422    -0.7304	H	1	noname	0.0686
15	H3    -0.2577    -2.0342     0.6582	H	1	noname	0.0632
16	H4    -1.7763     1.2457     0.2225	H	1	noname	0.0629
17	H5     2.1968    -1.4703     0.8802	H	1	noname	0.2182
18	H6     3.1671     1.1777    -0.1770	H	1	noname	0.0650
19	H7    -0.5159     3.3754     0.0612	H	1	noname	0.0622
20	H8     1.9558     3.3414    -0.1385	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	5	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	2
11	10	12	2
12	11	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	8	16	1
17	9	17	1
18	10	18	1
19	11	19	1
20	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1