COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.711   0.790  -1.195  1.00  0.00           C  
HETATM    2  C   UNL     1       5.187  -0.561  -0.712  1.00  0.00           C  
HETATM    3  C   UNL     1       5.577  -1.590  -1.804  1.00  0.00           C  
HETATM    4  C   UNL     1       5.914  -0.978   0.566  1.00  0.00           C  
HETATM    5  C   UNL     1       3.506   0.700   1.628  1.00  0.00           C  
HETATM    6  C   UNL     1       3.144  -1.889  -0.004  1.00  0.00           C  
HETATM    7  C   UNL     1       1.086  -1.082   2.002  1.00  0.00           C  
HETATM    8  C   UNL     1       0.838   1.743   0.589  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.293   0.485   0.570  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.467  -1.858   0.522  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.796  -1.242   0.116  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.683   0.160   0.116  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.962   0.301  -0.598  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.983  -1.879  -0.206  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.416   0.549   2.095  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.628   1.751   0.106  1.00  0.00           C  
HETATM   17  C   UNL     1       1.559   0.522   0.042  1.00  0.00           C  
HETATM   18  C   UNL     1       3.074   0.609   0.169  1.00  0.00           C  
HETATM   19  C   UNL     1       3.553   1.891  -0.540  1.00  0.00           C  
HETATM   20  C   UNL     1       5.075   1.967  -0.471  1.00  0.00           C  
HETATM   21  C   UNL     1       3.682  -0.578  -0.569  1.00  0.00           C  
HETATM   22  C   UNL     1       1.633  -1.943  -0.250  1.00  0.00           C  
HETATM   23  C   UNL     1       0.938  -0.794   0.513  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.508  -0.747   0.085  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.765   0.956  -0.252  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.700   2.430  -0.291  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.298   3.104  -1.293  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.108   3.035   0.580  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.070  -1.071  -0.566  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.254  -1.657  -0.889  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.091  -3.232  -0.176  1.00  0.00           O  
HETATM   32  H   UNL     1       6.797   0.819  -1.041  1.00  0.00           H  
HETATM   33  H   UNL     1       5.526   0.881  -2.270  1.00  0.00           H  
HETATM   34  H   UNL     1       6.661  -1.607  -1.916  1.00  0.00           H  
HETATM   35  H   UNL     1       5.227  -2.580  -1.512  1.00  0.00           H  
HETATM   36  H   UNL     1       5.118  -1.306  -2.751  1.00  0.00           H  
HETATM   37  H   UNL     1       5.843  -0.177   1.303  1.00  0.00           H  
HETATM   38  H   UNL     1       5.455  -1.882   0.967  1.00  0.00           H  
HETATM   39  H   UNL     1       6.963  -1.172   0.341  1.00  0.00           H  
HETATM   40  H   UNL     1       2.940   1.486   2.126  1.00  0.00           H  
HETATM   41  H   UNL     1       3.318  -0.253   2.122  1.00  0.00           H  
HETATM   42  H   UNL     1       4.570   0.931   1.678  1.00  0.00           H  
HETATM   43  H   UNL     1       3.600  -2.738  -0.522  1.00  0.00           H  
HETATM   44  H   UNL     1       3.360  -1.982   1.053  1.00  0.00           H  
HETATM   45  H   UNL     1       2.116  -1.366   2.217  1.00  0.00           H  
HETATM   46  H   UNL     1       0.830  -0.188   2.572  1.00  0.00           H  
HETATM   47  H   UNL     1       0.419  -1.896   2.284  1.00  0.00           H  
HETATM   48  H   UNL     1       1.321   2.646   0.203  1.00  0.00           H  
HETATM   49  H   UNL     1       0.878   1.767   1.671  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.433  -2.057   1.584  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.284  -2.768  -0.053  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.818   0.894  -0.886  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.143   1.314   2.369  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.747  -0.418   2.474  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.447   0.797   2.527  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.131   2.621   0.535  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.651   1.812  -0.983  1.00  0.00           H  
HETATM   58  H   UNL     1       1.366   0.553  -1.062  1.00  0.00           H  
HETATM   59  H   UNL     1       3.229   1.864  -1.579  1.00  0.00           H  
HETATM   60  H   UNL     1       3.123   2.756  -0.038  1.00  0.00           H  
HETATM   61  H   UNL     1       5.424   2.021   0.555  1.00  0.00           H  
HETATM   62  H   UNL     1       5.395   2.896  -0.969  1.00  0.00           H  
HETATM   63  H   UNL     1       3.274  -0.518  -1.613  1.00  0.00           H  
HETATM   64  H   UNL     1       1.433  -1.832  -1.313  1.00  0.00           H  
HETATM   65  H   UNL     1       1.239  -2.892   0.106  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.513  -0.743  -1.035  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.229   4.068  -1.276  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.846  -1.786  -0.136  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.373  -3.585   0.679  1.00  0.00           H  
CONECT    1    2   20   32   33                                       
CONECT    2    4    3    1   21                                       
CONECT    3    2   34   35   36                                       
CONECT    4    2   37   38   39                                       
CONECT    5   18   40   41   42                                       
CONECT    6   21   22   43   44                                       
CONECT    7   23   45   46   47                                       
CONECT    8   17   16   48   49                                       
CONECT    9   24   15   16   12                                       
CONECT   10   24   11   50   51                                       
CONECT   11   10   14   14   12                                       
CONECT   12    9   11   25   25                                       
CONECT   13   29   29   25   52                                       
CONECT   14   31   11   11   29                                       
CONECT   15    9   53   54   55                                       
CONECT   16    8    9   56   57                                       
CONECT   17   18   23    8   58                                       
CONECT   18   21    5   19   17                                       
CONECT   19   20   18   59   60                                       
CONECT   20    1   19   61   62                                       
CONECT   21    2    6   18   63                                       
CONECT   22    6   23   64   65                                       
CONECT   23   22    7   17   24                                       
CONECT   24   23   10    9   66                                       
CONECT   25   12   12   13   26                                       
CONECT   26   25   28   28   27                                       
CONECT   27   26   67                                                 
CONECT   28   26   26                                                 
CONECT   29   14   30   13   13                                       
CONECT   30   29   68                                                 
CONECT   31   14   69                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   27                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
