@<TRIPOS>MOLECULE
67116727
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0631    -1.1191     0.7783	O.3	1	noname	-0.3778
2	O2     0.4399    -2.9137    -0.9008	O.3	1	noname	-0.2093
3	O3    -0.6080    -3.4824     1.0818	O.2	1	noname	-0.2435
4	C1    -0.3107     0.0876    -0.2466	C.2	1	noname	-0.0383
5	C2    -0.6603    -1.0959     0.6154	C.3	1	noname	0.1643
6	C3    -0.7077     1.3976     0.1693	C.2	1	noname	-0.0463
7	C4     0.4079     0.0022    -1.4762	C.2	1	noname	-0.0463
8	C5    -0.3994     2.5425    -0.6174	C.2	1	noname	-0.0577
9	C6     0.7143     1.1284    -2.2526	C.2	1	noname	-0.0577
10	C7     0.3186     2.4001    -1.8388	C.2	1	noname	-0.0609
11	C8    -0.2783    -2.5753     0.2875	C.2	1	noname	0.1523
12	H1    -0.2506    -0.9012     1.5985	H	1	noname	0.0762
13	H2    -1.2287     1.5474     1.0462	H	1	noname	0.0626
14	H3     0.7354    -0.8674    -1.8579	H	1	noname	0.0626
15	H4    -0.6967     3.4898    -0.3076	H	1	noname	0.0622
16	H5     1.2362     1.0118    -3.1365	H	1	noname	0.0622
17	H6     0.5443     3.2208    -2.4106	H	1	noname	0.0622
18	H7    -2.4925    -1.2010    -0.0988	H	1	noname	0.2116
19	H8     0.3043    -3.7875    -1.3232	H	1	noname	0.2214
@<TRIPOS>BOND
1	1	5	1
2	1	18	1
3	2	11	1
4	2	19	1
5	3	11	2
6	4	5	1
7	4	6	2
8	4	7	1
9	5	11	1
10	5	12	1
11	6	8	1
12	6	13	1
13	7	9	2
14	7	14	1
15	8	10	2
16	8	15	1
17	9	10	1
18	9	16	1
19	10	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1