@<TRIPOS>MOLECULE
91664859
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.7761     1.8211    -1.7430	O.3	1	noname	-0.2018
2	O2     3.1508    -1.8449    -1.1180	O.3	1	noname	-0.2769
3	O3     0.3340     1.2946     2.5957	O.3	1	noname	-0.2742
4	O4     1.8748    -0.8830     3.4438	O.3	1	noname	-0.2717
5	O5     1.9453     0.1410    -3.0230	O.2	1	noname	-0.2546
6	C1     0.9828     0.8066     0.3133	C.2	1	noname	0.0411
7	C2     1.7037     0.0358    -0.6114	C.2	1	noname	0.0246
8	C3     0.2712     1.8632    -0.3921	C.3	1	noname	0.0854
9	C4     2.4839    -1.0913    -0.2182	C.2	1	noname	0.0369
10	C5     2.5205    -1.3788     1.1813	C.2	1	noname	0.0216
11	C6     1.0151     0.5356     1.7111	C.2	1	noname	0.0345
12	C7     1.8033    -0.5781     2.1306	C.2	1	noname	0.0462
13	C8     1.5296     0.6061    -1.9398	C.2	1	noname	0.1007
14	C9     3.3063    -2.5142     1.6556	C.3	1	noname	0.0239
15	H1    -0.7962     1.6424    -0.3961	H	1	noname	0.0626
16	H2     0.3660     2.8335     0.0954	H	1	noname	0.0626
17	H3     2.9316    -3.4310     1.2003	H	1	noname	0.0281
18	H4     3.2225    -2.5865     2.7400	H	1	noname	0.0281
19	H5     4.3516    -2.3729     1.3806	H	1	noname	0.0281
20	H6     3.0007    -1.4879    -2.0183	H	1	noname	0.2182
21	H7     0.4812     0.9516     3.5019	H	1	noname	0.2183
22	H8     1.7761    -0.0652     3.9748	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	8	1
2	1	13	1
3	2	9	1
4	2	20	1
5	3	11	1
6	3	21	1
7	4	12	1
8	4	22	1
9	5	13	2
10	6	7	2
11	6	8	1
12	6	11	1
13	7	9	1
14	7	13	1
15	8	15	1
16	8	16	1
17	9	10	2
18	10	12	1
19	10	14	1
20	11	12	2
21	14	17	1
22	14	18	1
23	14	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1