COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.705   0.022   7.929  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.212  -0.346   6.614  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.977   0.017   6.234  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.276   0.651   6.986  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.466  -0.364   4.869  1.00  0.00           C  
HETATM    6  C   UNL     1       0.956   0.168   4.690  1.00  0.00           C  
HETATM    7  O   UNL     1       0.951   1.592   4.815  1.00  0.00           O  
HETATM    8  C   UNL     1       1.476  -0.219   3.304  1.00  0.00           C  
HETATM    9  C   UNL     1       2.899   0.314   3.125  1.00  0.00           C  
HETATM   10  N   UNL     1       0.605   0.357   2.277  1.00  0.00           N  
HETATM   11  C   UNL     1       0.332  -0.338   1.156  1.00  0.00           C  
HETATM   12  O   UNL     1       0.716  -1.484   1.046  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.449   0.305   0.040  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.017  -0.252  -1.243  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.074   0.501  -2.358  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.401   1.666  -2.286  1.00  0.00           O  
HETATM   17  C   UNL     1       0.269  -0.103  -3.695  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.449   0.609  -4.753  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.807  -0.038  -5.880  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.533  -1.212  -6.017  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.547   0.695  -6.968  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.830  -0.262  -8.127  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.581   0.482  -9.233  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.128  -0.511   8.108  1.00  0.00           C  
HETATM   25  C   UNL     1       3.477  -0.206   1.808  1.00  0.00           C  
HETATM   26  C   UNL     1       4.833   0.452   1.550  1.00  0.00           C  
HETATM   27  C   UNL     1       3.655  -1.723   1.893  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.941   0.031   0.239  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.177  -1.477   0.317  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.411   0.688   1.539  1.00  0.00           C  
HETATM   31  C   UNL     1       1.776   0.012  -3.935  1.00  0.00           C  
HETATM   32  C   UNL     1       2.204   1.473  -3.792  1.00  0.00           C  
HETATM   33  C   UNL     1       2.523  -0.841  -2.908  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.508  -0.798  -8.681  1.00  0.00           C  
HETATM   35  H   UNL     1      -2.710   1.108   8.024  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.058  -0.406   8.693  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.461  -1.450   4.774  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.113   0.064   4.105  1.00  0.00           H  
HETATM   39  H   UNL     1       1.604  -0.260   5.454  1.00  0.00           H  
HETATM   40  H   UNL     1       0.367   1.931   4.123  1.00  0.00           H  
HETATM   41  H   UNL     1       1.480  -1.305   3.209  1.00  0.00           H  
HETATM   42  H   UNL     1       2.879   1.403   3.108  1.00  0.00           H  
HETATM   43  H   UNL     1       3.521  -0.024   3.954  1.00  0.00           H  
HETATM   44  H   UNL     1       0.225   1.241   2.404  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.272   1.380   0.047  1.00  0.00           H  
HETATM   46  H   UNL     1       0.308  -1.165  -1.290  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.019  -1.154  -3.703  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.668   1.548  -4.643  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.488   1.077  -6.574  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.938   1.526  -7.325  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.439  -1.093  -7.771  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.783  -0.200 -10.058  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.523   0.864  -8.838  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.973   1.313  -9.589  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.498  -0.234   9.095  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.776  -0.081   7.344  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.124  -1.596   8.013  1.00  0.00           H  
HETATM   58  H   UNL     1       2.795   0.033   0.992  1.00  0.00           H  
HETATM   59  H   UNL     1       5.245   0.081   0.612  1.00  0.00           H  
HETATM   60  H   UNL     1       4.706   1.533   1.489  1.00  0.00           H  
HETATM   61  H   UNL     1       5.515   0.211   2.366  1.00  0.00           H  
HETATM   62  H   UNL     1       4.405  -1.959   2.648  1.00  0.00           H  
HETATM   63  H   UNL     1       2.706  -2.185   2.168  1.00  0.00           H  
HETATM   64  H   UNL     1       3.979  -2.106   0.926  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.501   0.444  -0.599  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.240  -1.672   0.458  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.842  -1.945  -0.608  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.617  -1.890   1.156  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.975   0.164   2.389  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.095   1.731   1.554  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.498   0.637   1.599  1.00  0.00           H  
HETATM   72  H   UNL     1       2.012  -0.339  -4.939  1.00  0.00           H  
HETATM   73  H   UNL     1       3.277   1.556  -3.963  1.00  0.00           H  
HETATM   74  H   UNL     1       1.672   2.081  -4.523  1.00  0.00           H  
HETATM   75  H   UNL     1       1.968   1.825  -2.787  1.00  0.00           H  
HETATM   76  H   UNL     1       2.240  -0.529  -1.902  1.00  0.00           H  
HETATM   77  H   UNL     1       2.264  -1.890  -3.049  1.00  0.00           H  
HETATM   78  H   UNL     1       3.597  -0.711  -3.040  1.00  0.00           H  
HETATM   79  H   UNL     1       0.099   0.032  -9.037  1.00  0.00           H  
HETATM   80  H   UNL     1       0.026  -1.329  -7.893  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.710  -1.481  -9.506  1.00  0.00           H  
CONECT    1    2   24   35   36                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   37   38                                       
CONECT    6    5    7    8   39                                       
CONECT    7    6   40                                                 
CONECT    8    6    9   10   41                                       
CONECT    9    8   25   42   43                                       
CONECT   10    8   11   44                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   28   45                                       
CONECT   14   13   15   46                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   31   47                                       
CONECT   18   17   19   48                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   49   50                                       
CONECT   22   21   23   34   51                                       
CONECT   23   22   52   53   54                                       
CONECT   24    1   55   56   57                                       
CONECT   25    9   26   27   58                                       
CONECT   26   25   59   60   61                                       
CONECT   27   25   62   63   64                                       
CONECT   28   13   29   30   65                                       
CONECT   29   28   66   67   68                                       
CONECT   30   28   69   70   71                                       
CONECT   31   17   32   33   72                                       
CONECT   32   31   73   74   75                                       
CONECT   33   31   76   77   78                                       
CONECT   34   22   79   80   81                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
