Ketcher 08292216082D 1   1.00000     0.00000     0

  9  8  0     0  0            999 V2000
    5.9708    1.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7596    0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5482   -0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260    1.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1931   -0.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7973   -0.7832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1146    0.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818   -1.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7217    0.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  9  1  0     0  0
  2  3  1  0     0  0
  2  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
M  ISO  6   4   2   5   2   6   2   7   2   8   2   9   2
M  END