LB7JD8
  -OEChem-05022322003D

 21 21  0     0  0  0  0  0  0999 V2000
    2.2566    0.1067   -0.0758 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730   -0.7319   -0.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3156    0.7994    1.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3785   -1.0547    0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    1.0342   -1.2432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5087   -0.9991   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3752   -0.1864   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7791   -0.4239    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120    1.2015   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812   -2.4865   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9160    0.9641    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7824    1.7768    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6725   -1.0428    0.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3359    1.8766   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580   -2.8108   -0.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8265   -2.8324    0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3582   -2.9815   -0.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9051    1.4122    0.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8897    2.8575    0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0501    1.4170    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3240   -0.8100   -0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  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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