B5T3MR
  -OEChem-04012113413D

 21 21  0     1  0  0  0  0  0999 V2000
    1.9322    1.9397   -0.6591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3520   -1.2322   -1.3616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8665   -1.1509    0.3330 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8456    0.6391   -0.1929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6322    1.6094    0.2621 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0378   -1.1670    0.8157 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790    0.8803    0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4876    0.8033   -0.1670 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8442    0.0760    0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9913   -0.6166   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848   -0.3380   -0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2641   -1.4430    0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456    0.4915    1.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0955    1.9255    1.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1402    1.1842   -1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9953    1.2615    1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3886    1.5283   -0.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7066   -0.1664   -0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7097   -2.4234    0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4914    1.8456   -1.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6711   -2.1505   -1.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3 10  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END

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