@<TRIPOS>MOLECULE
DB01982
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6207    -1.0248    -1.3084	O.2	1	noname	-0.2442
2	C1    -0.7807    -0.1015    -1.2414	C.2	1	noname	0.1515
3	O2    -0.6430     0.7617    -2.2702	O.3	1	noname	-0.2098
4	C2     0.0953     0.0509     0.0121	C.3	1	noname	0.1743
5	O3     1.4949    -0.0715    -0.4007	O.3	1	noname	-0.3334
6	C3    -0.3125     1.3709     0.7295	C.3	1	noname	0.1186
7	C4     2.5133     0.5859     0.4055	C.3	1	noname	0.1843
8	O4    -0.4769     1.1236     2.1181	O.3	1	noname	-0.3869
9	C5     0.7312     2.5046     0.5250	C.3	1	noname	0.1139
10	O5     2.6531    -0.0985     1.6418	O.3	1	noname	-0.3656
11	C6     2.2309     2.0906     0.6753	C.3	1	noname	0.1332
12	O6     0.5317     3.1082    -0.7447	O.3	1	noname	-0.3873
13	O7     3.0300     2.8846    -0.1892	O.3	1	noname	-0.3849
14	H1    -0.5336     0.2704    -3.0877	H	1	noname	0.2214
15	H2     0.0064    -0.7534     0.7424	H	1	noname	0.0743
16	H3    -1.2894     1.6999     0.3752	H	1	noname	0.0662
17	H4     3.4402     0.4560    -0.1532	H	1	noname	0.0949
18	H5    -0.4954     0.1766     2.2745	H	1	noname	0.2107
19	H6     0.5224     3.2728     1.2696	H	1	noname	0.0658
20	H7     2.6356    -1.0458     1.4869	H	1	noname	0.2134
21	H8     2.5605     2.3243     1.6876	H	1	noname	0.0682
22	H9     0.4271     2.4250    -1.4110	H	1	noname	0.2106
23	H10     3.6010     3.4519     0.3340	H	1	noname	0.2108
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	7	11	1
11	9	12	1
12	9	11	1
13	11	13	1
14	3	14	1
15	4	15	1
16	6	16	1
17	7	17	1
18	8	18	1
19	9	19	1
20	10	20	1
21	11	21	1
22	12	22	1
23	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1