@<TRIPOS>MOLECULE
76963026
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.7699    -1.0661     3.0296	O.3	1	noname	-0.3649
2	O2     1.5455     3.0622     1.1278	O.3	1	noname	-0.2170
3	O3     0.9450     3.2496     3.2301	O.2	1	noname	-0.2535
4	O4    -0.0674     2.1152     5.3567	O.3	1	noname	-0.2170
5	O5    -2.0038     1.0247     4.6007	O.2	1	noname	-0.2535
6	C1     0.7576     1.0080     2.3059	C.3	1	noname	0.0896
7	C2     0.1423     0.3751     3.5852	C.3	1	noname	0.0896
8	C3     2.0510     0.1214     2.2766	C.3	1	noname	0.0897
9	C4     1.3807    -0.3399     4.1928	C.3	1	noname	0.0897
10	C5     3.0628     0.6490     3.1500	C.2	1	noname	-0.0565
11	C6     2.5974     0.4107     4.3756	C.2	1	noname	-0.0565
12	C7     1.0521     2.4855     2.2463	C.2	1	noname	0.1383
13	C8    -0.7649     1.1814     4.5448	C.2	1	noname	0.1383
14	H1     0.1285     0.7421     1.4519	H	1	noname	0.0449
15	H2    -0.5377    -0.4336     3.2898	H	1	noname	0.0449
16	H3     2.4235    -0.1107     1.2771	H	1	noname	0.0657
17	H4     1.1680    -0.9615     5.0486	H	1	noname	0.0657
18	H5     3.9128     1.0896     2.8983	H	1	noname	0.0600
19	H6     3.0032     0.6912     5.2340	H	1	noname	0.0600
20	H7     1.3858     4.0137     0.9558	H	1	noname	0.2213
21	H8    -0.4098     2.3429     6.2462	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	8	1
2	1	9	1
3	2	12	1
4	2	20	1
5	3	12	2
6	4	13	1
7	4	21	1
8	5	13	2
9	6	7	1
10	6	8	1
11	6	12	1
12	6	14	1
13	7	9	1
14	7	13	1
15	7	15	1
16	8	10	1
17	8	16	1
18	9	11	1
19	9	17	1
20	10	11	2
21	10	18	1
22	11	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1