@<TRIPOS>MOLECULE
DB03868
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3162    -2.9924    -1.1826	O.2	1	noname	-0.2869
2	C1     0.1532    -2.0222    -0.4114	C.2	1	noname	0.1575
3	C2     1.3377    -1.2653     0.2732	C.3	1	noname	0.1383
4	C3    -1.2637    -1.4474    -0.0381	C.3	1	noname	0.0476
5	O2     2.5693    -1.7459    -0.2452	O.3	1	noname	-0.3825
6	C4     1.2314     0.2611     0.0211	C.3	1	noname	0.0904
7	C5    -1.3235     0.1240    -0.1046	C.3	1	noname	0.1591
8	O3     2.3211     0.9214     0.6479	O.3	1	noname	-0.3897
9	C6    -0.1025     0.8278     0.5723	C.3	1	noname	0.0152
10	O4    -1.4164     0.5372    -1.4600	O.3	1	noname	-0.3787
11	C7    -2.5643     0.5966     0.5026	C.2	1	noname	0.1518
12	O5    -3.6660     0.2362     0.0348	O.2	1	noname	-0.2439
13	O6    -2.5218     1.4229     1.5693	O.3	1	noname	-0.2095
14	H1     1.3813    -1.4773     1.3415	H	1	noname	0.0710
15	H2    -1.9471    -1.8078    -0.8069	H	1	noname	0.0383
16	H3    -1.4303    -1.7114     1.0063	H	1	noname	0.0383
17	H4     3.1546    -1.9744     0.4806	H	1	noname	0.2111
18	H5     1.3337     0.4834    -1.0410	H	1	noname	0.0633
19	H6     2.2250     0.8632     1.6013	H	1	noname	0.2105
20	H7    -0.1355     0.5629     1.6291	H	1	noname	0.0329
21	H8    -0.1391     1.8748     0.2715	H	1	noname	0.0329
22	H9    -1.4553    -0.2356    -2.0282	H	1	noname	0.2116
23	H10    -2.4896     0.9030     2.3758	H	1	noname	0.2214
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	7	11	1
11	7	9	1
12	11	12	2
13	11	13	1
14	3	14	1
15	4	15	1
16	4	16	1
17	5	17	1
18	6	18	1
19	8	19	1
20	9	20	1
21	9	21	1
22	10	22	1
23	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1