@<TRIPOS>MOLECULE
86221420
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1862     2.1553    -0.6191	O.3	1	noname	-0.1821
2	O2     2.0938     3.3646    -0.0726	O.3	1	noname	-0.3648
3	O3    -2.1174    -1.3801    -0.3844	O.3	1	noname	-0.2741
4	O4    -1.9940     1.1549    -0.5583	O.2	1	noname	-0.2533
5	O5     1.9209    -3.8244     0.5244	O.3	1	noname	-0.2811
6	C1     1.2510     2.3118     0.3679	C.3	1	noname	0.1759
7	C2     2.1387     1.0424     0.4486	C.3	1	noname	0.0277
8	C3     1.3491    -0.2013     0.2798	C.2	1	noname	0.0207
9	C4    -0.0523    -0.1879    -0.0506	C.2	1	noname	0.0129
10	C5     0.7797     2.7468     1.7778	C.3	1	noname	-0.0097
11	C6    -0.7551     1.0560    -0.4250	C.2	1	noname	0.1033
12	C7     2.0380    -1.4398     0.4502	C.2	1	noname	-0.0215
13	C8    -0.7931    -1.3952    -0.1227	C.2	1	noname	0.0598
14	C9     1.2946    -2.6403     0.3564	C.2	1	noname	0.0320
15	C10    -0.1071    -2.6189     0.0871	C.2	1	noname	0.0118
16	H1     2.6526     1.0189     1.4095	H	1	noname	0.0371
17	H2     2.9094     1.0372    -0.3221	H	1	noname	0.0371
18	H3     1.6425     2.8355     2.4380	H	1	noname	0.0285
19	H4     0.0919     2.0014     2.1770	H	1	noname	0.0285
20	H5     0.2731     3.7095     1.7106	H	1	noname	0.0285
21	H6     3.0409    -1.4590     0.6349	H	1	noname	0.0653
22	H7    -0.6236    -3.4974     0.0448	H	1	noname	0.0677
23	H8     1.5725     4.1912    -0.1464	H	1	noname	0.2136
24	H9    -2.4587    -2.2987    -0.3955	H	1	noname	0.2182
25	H10     1.2726    -4.5532     0.4297	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	6	1
2	1	11	1
3	2	6	1
4	2	23	1
5	3	13	1
6	3	24	1
7	4	11	2
8	5	14	1
9	5	25	1
10	6	7	1
11	6	10	1
12	7	8	1
13	7	16	1
14	7	17	1
15	8	9	2
16	8	12	1
17	9	11	1
18	9	13	1
19	10	18	1
20	10	19	1
21	10	20	1
22	12	14	2
23	12	21	1
24	13	15	2
25	14	15	1
26	15	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1