$coord
    1.29285000000000      0.05172750000000     -0.12155500000000      c
   -1.26636000000000     -0.23661300000000      0.04176300000000      o
   -2.06077000000000      1.38076000000000     -0.11786200000000      h
    2.10425000000000      1.87185000000000      0.32084500000000      h
    2.33032000000000     -1.67007000000000      0.19224000000000      h
$end
