B97HRG
  -OEChem-04012113413D

 20 20  0     1  0  0  0  0  0999 V2000
   -0.6038    0.5275   -1.7487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9658    1.5679    1.3937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6696   -0.1902   -0.1305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0054   -0.7463   -1.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5528    0.9706   -0.3925 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9054    0.9995    0.0868 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4062    0.0395    0.4858 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5277   -0.4089    0.1346 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7430   -1.2792    0.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5712   -1.4803    0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925    1.9747   -0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5011    1.6320   -0.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997    0.5158    1.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902   -0.4081    0.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3588   -2.0980    1.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9841   -2.4642    0.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0822    1.1534   -2.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5836    2.4605    1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821    0.6770   -0.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2482   -0.7444   -1.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END

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