@<TRIPOS>MOLECULE
101410629
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3153     1.2186     0.8321	O.3	1	noname	-0.2772
2	O2    -1.9804    -0.8353     0.2285	O.3	1	noname	-0.3915
3	O3     0.1071     3.2891    -1.9861	O.3	1	noname	-0.2824
4	O4     2.4693    -0.8724     2.0182	O.2	1	noname	-0.3003
5	C1     0.1190     0.0051    -0.4167	C.2	1	noname	0.0120
6	C2     1.3337     0.0462     0.2578	C.2	1	noname	0.0024
7	C3    -0.2938     1.0966    -1.1719	C.2	1	noname	-0.0220
8	C4     2.1356     1.1787     0.1771	C.2	1	noname	0.0457
9	C5    -0.7232    -1.1845    -0.3319	C.3	1	noname	0.0691
10	C6     0.5080     2.2291    -1.2526	C.2	1	noname	0.0258
11	C7     1.7227     2.2701    -0.5782	C.2	1	noname	0.0064
12	C8     1.7465    -1.0453     1.0130	C.2	1	noname	0.0993
13	H1    -1.1852     1.0664    -1.6668	H	1	noname	0.0654
14	H2    -0.8721    -1.5961    -1.3301	H	1	noname	0.0615
15	H3    -0.2381    -1.9289     0.2995	H	1	noname	0.0615
16	H4     2.3111     3.1012    -0.6374	H	1	noname	0.0677
17	H5     1.4598    -1.9873     0.7470	H	1	noname	0.1099
18	H6     3.7501     2.0817     0.6698	H	1	noname	0.2182
19	H7    -2.5457    -1.6338     0.2855	H	1	noname	0.2105
20	H8    -0.7639     3.0953    -2.3915	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	8	1
2	1	18	1
3	2	9	1
4	2	19	1
5	3	10	1
6	3	20	1
7	4	12	2
8	5	6	2
9	5	7	1
10	5	9	1
11	6	8	1
12	6	12	1
13	7	10	2
14	7	13	1
15	8	11	2
16	9	14	1
17	9	15	1
18	10	11	1
19	11	16	1
20	12	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1