BU18OZ
  -OEChem-04022112233D

 31 31  0     0  0  0  0  0  0999 V2000
    2.8902   -1.1432   -0.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0011   -0.7105   -0.0044 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6090   -0.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -2.2285   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7550   -0.2354   -1.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8176   -0.3218    1.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4564    1.3126    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156   -0.8992   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8206    1.8738    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7927   -0.3381    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6443    2.2182    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9451    1.0485    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1651   -0.5023    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8514   -2.6656   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3349   -2.5426   -0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3529   -2.5568    0.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4380   -1.0395   -1.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3783    0.6342   -1.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0501   -0.0612   -2.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5166   -1.1369    1.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1415   -0.1962    2.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4234    0.5667    1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862   -1.9821   -0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9588    2.9519    0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1988    2.2049   -0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2677    2.1201    0.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2946    3.2591    0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9066    1.5505    0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9236   -1.2919   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3178    0.0834    0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194    0.0931   -0.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 23  1  0  0  0  0
  9 12  2  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  CHG  1   2   1
M  END

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