@<TRIPOS>MOLECULE
DB01704
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.7882    -2.4714     0.6936	O.2	1	noname	-0.2623
2	C1    -2.6270    -2.4013     0.2362	C.2	1	noname	0.0915
3	O2    -2.0566    -3.4876    -0.3269	O.3	1	noname	-0.2211
4	C2    -1.9383    -1.2306     0.3058	C.2	1	noname	0.0607
5	C3    -0.7028    -1.1560    -0.1810	C.2	1	noname	-0.0013
6	C4    -0.0141     0.0147    -0.1114	C.2	1	noname	-0.0298
7	C5     1.3722     0.0005    -0.0112	C.2	1	noname	0.0162
8	C6    -0.6965     1.2253    -0.1405	C.2	1	noname	-0.0331
9	O3     2.0350    -1.1752     0.0171	O.3	1	noname	-0.2818
10	C7     2.0761     1.1970     0.0599	C.2	1	noname	-0.0031
11	C8     0.0074     2.4217    -0.0694	C.2	1	noname	-0.0423
12	C9     1.3937     2.4076     0.0308	C.2	1	noname	0.0059
13	O4     2.0774     3.5697     0.0998	O.3	1	noname	-0.2849
14	H1    -1.7459    -4.0793     0.3623	H	1	noname	0.2216
15	H2    -2.3814    -0.3425     0.7565	H	1	noname	0.0686
16	H3    -0.2598    -2.0441    -0.6317	H	1	noname	0.0632
17	H4    -1.7836     1.2363    -0.2191	H	1	noname	0.0630
18	H5     2.1828    -1.4374     0.9288	H	1	noname	0.2182
19	H6     3.1632     1.1859     0.1385	H	1	noname	0.0677
20	H7    -0.5277     3.3711    -0.0923	H	1	noname	0.0650
21	H8     2.2159     3.8052     1.0201	H	1	noname	0.2181
@<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	12	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	8	17	1
18	9	18	1
19	10	19	1
20	11	20	1
21	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1