BE52XA
  -OEChem-04012112272D

 21 22  0     0  0  0  0  0  0999 V2000
    5.9674    1.1885    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    1.3947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7612    2.1670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1737    0.2100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.5777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.1670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -0.7730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1386    1.9840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  9  1  0  0  0  0
  3 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END

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