BLX42T
  -OEChem-04012115323D

 21 22  0     0  0  0  0  0  0999 V2000
    3.2467    0.4919    0.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827   -1.7752   -0.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0252    0.0756   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419    0.2425   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140   -0.0197    1.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7225    0.0132   -1.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153   -0.8566   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0779    1.5394    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0999   -0.1777    1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083   -0.1447   -1.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7970   -0.2402    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931   -0.7603   -0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    1.6118    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1851    0.0276    2.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2002    0.0864   -2.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7947   -1.8578   -0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690    2.4361    0.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6362   -0.2519    2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6515   -0.1933   -2.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8761   -0.3631    0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9838    2.5258    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  2  0  0  0  0
  6 15  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8 13  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

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