BJFL16
  -OEChem-04022117183D

 27 27  0     0  0  0  0  0  0999 V2000
    3.7738    0.4519    0.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3257   -1.5442    0.3628 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8699    1.1659    0.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0976   -1.7061   -0.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9576   -0.2100   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0001   -1.1120    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310    1.1501   -0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3160   -0.6539    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5892    0.7061    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144   -0.6872   -0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5467    1.6080   -0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160    0.0749   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    0.0443    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8636   -0.5322   -0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0257    1.2441    0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7996   -2.1749    0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4546    1.8860   -0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5298   -1.7495   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7466    2.6696   -0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4679    1.1328    0.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3221   -0.7278    0.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3729   -0.3605   -0.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0834    0.9678    0.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8469    2.0323   -0.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7967    1.6711    1.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1664   -1.0545    0.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8666    2.1308   -0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  1  0  0  0  0
  2 26  1  0  0  0  0
  3  9  1  0  0  0  0
  3 27  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END

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