EXO0791
  -OEChem-04222009453D

 12 12  0     0  0  0  0  0  0999 V2000
   -2.2883    0.0000    0.0003 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0146    0.0001   -0.0004 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3131    1.1903   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3132   -1.1902   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0778    1.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777   -1.2039    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7737    0.0000    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9245    2.0808    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9247   -2.0807   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6145    2.1473    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6143   -2.1474    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8597   -0.0001    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END

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