@<TRIPOS>MOLECULE
92852201
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6685     1.7294    -0.0037	O.3	1	noname	-0.3870
2	O2     2.8694    -0.3613    -1.8785	O.3	1	noname	-0.3710
3	O3     0.6955     1.5086     1.9925	O.3	1	noname	-0.3878
4	O4    -1.4357     2.3822     0.3736	O.3	1	noname	-0.3934
5	O5     0.4579    -1.8111    -2.2562	O.2	1	noname	-0.2943
6	C1     1.8389     0.5804     0.0854	C.3	1	noname	0.1151
7	C2     0.4907     0.9709     0.6943	C.3	1	noname	0.1060
8	C3     1.6181     0.0011    -1.3133	C.3	1	noname	0.1407
9	C4    -0.1844     2.0199    -0.1915	C.3	1	noname	0.0718
10	C5     0.7651    -1.1803    -1.2217	C.2	1	noname	0.1453
11	C6     2.6646    -0.8990    -3.1767	C.3	1	noname	0.0367
12	H1     2.3198    -0.1669     0.7165	H	1	noname	0.0660
13	H2    -0.1462     0.0889     0.7627	H	1	noname	0.0653
14	H3     1.1372     0.7484    -1.9444	H	1	noname	0.0711
15	H4    -0.3417     1.6071    -1.1880	H	1	noname	0.0591
16	H5     0.4524     2.9019    -0.2599	H	1	noname	0.0591
17	H6     0.4199    -1.4909    -0.3136	H	1	noname	0.1071
18	H7     3.5321     1.4794    -0.3937	H	1	noname	0.2107
19	H8     1.1279     0.8366     2.5599	H	1	noname	0.2106
20	H9     3.6251    -1.1771    -3.6105	H	1	noname	0.0529
21	H10     2.0277    -1.7810    -3.1083	H	1	noname	0.0529
22	H11     2.1836    -0.1516    -3.8077	H	1	noname	0.0529
23	H12    -1.8681     3.0542    -0.1938	H	1	noname	0.2101
@<TRIPOS>BOND
1	6	1	1
2	1	18	1
3	8	2	1
4	2	11	1
5	7	3	1
6	3	19	1
7	4	9	1
8	4	23	1
9	5	10	2
10	6	7	1
11	6	8	1
12	6	12	1
13	7	9	1
14	7	13	1
15	8	10	1
16	8	14	1
17	9	15	1
18	9	16	1
19	10	17	1
20	11	20	1
21	11	21	1
22	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1