BO68UI
  -OEChem-04012112423D

 20 20  0     1  0  0  0  0  0999 V2000
    0.5802   -0.0389    1.1969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0321   -1.8560   -0.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5341   -0.9421    1.0307 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6206   -0.3842   -0.4600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    1.5081    0.1049 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773   -0.2420    1.1961 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1273    0.3102   -0.5238 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2923    0.0810   -0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306   -0.0226   -0.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9714   -0.8639   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4689   -0.2395   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257    2.6900   -0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505    0.3931   -1.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6497    1.6238   -0.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3593    0.0359   -2.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830    2.7039    0.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4357    3.5788    0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    2.7971   -1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4648   -0.3625    2.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5729   -2.6135   -0.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END

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