BA1X3W
  -OEChem-04022106513D

 16 16  0     0  0  0  0  0  0999 V2000
    2.1285   -2.3056   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720    2.3767   -0.0011 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.7669    1.1305    0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8807   -1.1397   -0.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2847    1.2464    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7480   -0.0554    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005   -1.2279    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0949    1.1726    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3886   -1.1652    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177    0.0753    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2005   -0.1077   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4953   -2.1962    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5762    2.1405   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0898    0.2116   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5285   -3.0712   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7469    1.0833    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4 11  2  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

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