@<TRIPOS>MOLECULE
91826809
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.8160    -2.1840     1.4464	O.3	1	noname	-0.3874
2	O2     2.8844    -0.5098     0.6825	O.3	1	noname	-0.3869
3	O3    -1.5925    -2.4573    -0.2453	O.3	1	noname	-0.3878
4	O4     3.5318     0.1268    -1.9254	O.3	1	noname	-0.3798
5	O5    -0.7062    -4.2260    -2.1278	O.3	1	noname	-0.3934
6	O6     1.1801     0.0969    -3.8831	O.3	1	noname	-0.2099
7	O7     1.7630    -1.9397    -3.2819	O.2	1	noname	-0.2443
8	C1     0.7071    -1.4826     0.1966	C.3	1	noname	0.1111
9	C2     2.1417    -1.1366    -0.3732	C.3	1	noname	0.1180
10	C3    -0.2674    -2.2644    -0.7776	C.3	1	noname	0.1056
11	C4     2.1881    -0.2268    -1.6466	C.3	1	noname	0.1677
12	C5     0.1869    -3.6893    -1.1631	C.3	1	noname	0.0718
13	C6     1.6870    -0.7464    -2.9499	C.2	1	noname	0.1513
14	H1     0.2324    -0.5209     0.4528	H	1	noname	0.0657
15	H2     2.6972    -2.0563    -0.5701	H	1	noname	0.0662
16	H3    -0.3749    -1.6888    -1.6925	H	1	noname	0.0652
17	H4     1.6645     0.6943    -1.3989	H	1	noname	0.0739
18	H5     0.1873    -4.3229    -0.2762	H	1	noname	0.0591
19	H6     1.1926    -3.6493    -1.5815	H	1	noname	0.0591
20	H7     1.3136    -3.0173     1.3111	H	1	noname	0.2106
21	H8     2.4226     0.3064     0.9668	H	1	noname	0.2107
22	H9    -2.0016    -1.5855    -0.0636	H	1	noname	0.2106
23	H10     4.0570    -0.6851    -2.0846	H	1	noname	0.2113
24	H11    -0.4179    -5.1302    -2.3724	H	1	noname	0.2101
25	H12     0.5229    -0.2292    -4.5329	H	1	noname	0.2214
@<TRIPOS>BOND
1	8	1	1
2	1	20	1
3	9	2	1
4	2	21	1
5	10	3	1
6	3	22	1
7	11	4	1
8	4	23	1
9	5	12	1
10	5	24	1
11	6	13	1
12	6	25	1
13	7	13	2
14	8	9	1
15	8	10	1
16	8	14	1
17	9	11	1
18	9	15	1
19	10	12	1
20	10	16	1
21	11	13	1
22	11	17	1
23	12	18	1
24	12	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1