B42UAT
  -OEChem-04022112243D

 19 19  0     0  0  0  0  0  0999 V2000
    3.1361    1.0260    0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9691   -2.2503   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2286   -2.0022   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2201    1.6655   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1992    0.0331   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7743   -1.7531    0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118   -0.0696    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6055    0.5829    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -0.0686    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    1.9994    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0835    2.3766    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0969   -1.4701   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8975    0.4887   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9947   -0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0371    2.7314    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5600   -1.0849    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4839    3.3806    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1903   -3.2062   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1898    1.0143   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
  5 14  1  0  0  0  0
  5 19  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 13 14  1  0  0  0  0
M  END

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