COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.280  -0.324  -0.196  1.00  0.00           N  
HETATM    2  C   UNL     1      10.030   2.033   0.363  1.00  0.00           C  
HETATM    3  O   UNL     1       5.509   0.252  -0.576  1.00  0.00           O  
HETATM    4  C   UNL     1       9.823   0.668   0.445  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.483   0.536   0.181  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.770  -0.193  -0.107  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.176  -0.092  -0.225  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.133  -0.422  -1.718  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.313   0.213  -2.407  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.097  -1.990   0.858  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.917  -2.625   1.546  1.00  0.00           C  
HETATM   12  C   UNL     1       1.837  -2.290  -0.383  1.00  0.00           C  
HETATM   13  C   UNL     1       8.719   0.099  -0.162  1.00  0.00           C  
HETATM   14  C   UNL     1       0.985  -3.507   1.498  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.463  -3.125   1.181  1.00  0.00           C  
HETATM   16  C   UNL     1       1.149  -3.672   3.010  1.00  0.00           C  
HETATM   17  C   UNL     1       1.329  -4.824   0.800  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.601   1.985  -0.295  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.647   2.716   0.549  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.905   4.102  -0.047  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.951   4.833   0.797  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.437   4.981   2.231  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.179   3.595   2.826  1.00  0.00           C  
HETATM   24  C   UNL     1       7.822   0.894  -0.851  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.133   2.864   1.982  1.00  0.00           C  
HETATM   26  C   UNL     1       8.029   2.258  -0.933  1.00  0.00           C  
HETATM   27  C   UNL     1       9.133   2.828  -0.326  1.00  0.00           C  
HETATM   28  C   UNL     1       6.618   0.273  -1.512  1.00  0.00           C  
HETATM   29  C   UNL     1       2.988  -3.070  -1.021  1.00  0.00           C  
HETATM   30  C   UNL     1       4.349  -0.274  -1.014  1.00  0.00           C  
HETATM   31  C   UNL     1       1.991  -0.801  -0.702  1.00  0.00           C  
HETATM   32  C   UNL     1       0.876  -0.029  -0.046  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.381  -0.122  -0.524  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.858   0.032   0.656  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.028  -0.709   0.445  1.00  0.00           N  
HETATM   36  N   UNL     1      -7.483   0.056  -3.735  1.00  0.00           N  
HETATM   37  O   UNL     1       4.267  -0.704  -2.148  1.00  0.00           O  
HETATM   38  O   UNL     1       1.109   0.677   0.912  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.827  -0.983  -1.026  1.00  0.00           O  
HETATM   40  O   UNL     1      -8.110   0.865  -1.766  1.00  0.00           O  
HETATM   41  O   UNL     1      -6.110  -2.632   0.675  1.00  0.00           O  
HETATM   42  O   UNL     1       1.861  -2.478   1.033  1.00  0.00           O  
HETATM   43  H   UNL     1       3.365  -0.048   0.730  1.00  0.00           H  
HETATM   44  H   UNL     1      10.890   2.478   0.841  1.00  0.00           H  
HETATM   45  H   UNL     1      10.524   0.047   0.982  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.289   0.521   1.254  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.137   0.989  -0.090  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.099  -0.479   0.206  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.209  -0.035  -2.149  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.172  -1.503  -1.853  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.106  -1.900   1.620  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.209  -2.947   2.546  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.581  -3.488   0.971  1.00  0.00           H  
HETATM   54  H   UNL     1       0.889  -2.651  -0.781  1.00  0.00           H  
HETATM   55  H   UNL     1       8.557  -0.967  -0.099  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.137  -3.857   1.624  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.677  -2.138   1.592  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.605  -3.107   0.100  1.00  0.00           H  
HETATM   59  H   UNL     1       2.180  -3.944   3.236  1.00  0.00           H  
HETATM   60  H   UNL     1       0.904  -2.733   3.507  1.00  0.00           H  
HETATM   61  H   UNL     1       0.480  -4.456   3.365  1.00  0.00           H  
HETATM   62  H   UNL     1       1.199  -4.710  -0.276  1.00  0.00           H  
HETATM   63  H   UNL     1       2.364  -5.089   1.015  1.00  0.00           H  
HETATM   64  H   UNL     1       0.669  -5.611   1.165  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.637   2.482  -0.189  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.904   2.000  -1.342  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.575   2.144   0.552  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.977   4.674  -0.050  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.271   3.997  -1.068  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.134   5.820   0.373  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.878   4.261   0.801  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.509   5.553   2.227  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.182   5.502   2.832  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.813   3.701   3.847  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.107   3.023   2.830  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.950   1.877   2.406  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.205   3.436   1.978  1.00  0.00           H  
HETATM   78  H   UNL     1       7.328   2.880  -1.470  1.00  0.00           H  
HETATM   79  H   UNL     1       9.292   3.894  -0.386  1.00  0.00           H  
HETATM   80  H   UNL     1       6.856  -0.746  -1.817  1.00  0.00           H  
HETATM   81  H   UNL     1       6.343   0.860  -2.389  1.00  0.00           H  
HETATM   82  H   UNL     1       3.928  -2.777  -0.555  1.00  0.00           H  
HETATM   83  H   UNL     1       2.828  -4.138  -0.876  1.00  0.00           H  
HETATM   84  H   UNL     1       3.028  -2.851  -2.088  1.00  0.00           H  
HETATM   85  H   UNL     1       1.948  -0.655  -1.782  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.555  -0.625  -1.335  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.831   0.708   1.351  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.846  -0.466  -4.247  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.243   0.465  -4.178  1.00  0.00           H  
CONECT    1   31   30   43                                            
CONECT    2    4    4   27   44                                       
CONECT    3   30   28                                                 
CONECT    4    2    2   13   45                                       
CONECT    5   18   33    6   46                                       
CONECT    6   39   39    5   34                                       
CONECT    7    8   35   47   48                                       
CONECT    8    9    7   49   50                                       
CONECT    9    8   36   40   40                                       
CONECT   10   11   41   41   35                                       
CONECT   11   10   51   52   53                                       
CONECT   12   42   29   31   54                                       
CONECT   13    4   24   24   55                                       
CONECT   14   16   42   17   15                                       
CONECT   15   14   56   57   58                                       
CONECT   16   14   59   60   61                                       
CONECT   17   14   62   63   64                                       
CONECT   18   19    5   65   66                                       
CONECT   19   25   18   20   67                                       
CONECT   20   19   21   68   69                                       
CONECT   21   22   20   70   71                                       
CONECT   22   23   21   72   73                                       
CONECT   23   25   22   74   75                                       
CONECT   24   13   13   26   28                                       
CONECT   25   23   19   76   77                                       
CONECT   26   27   27   24   78                                       
CONECT   27    2   26   26   79                                       
CONECT   28   24    3   80   81                                       
CONECT   29   12   82   83   84                                       
CONECT   30   37   37    1    3                                       
CONECT   31   12   32    1   85                                       
CONECT   32   31   33   38   38                                       
CONECT   33   32    5   86                                            
CONECT   34    6   35   87                                            
CONECT   35   10   34    7                                            
CONECT   36    9   88   89                                            
CONECT   37   30   30                                                 
CONECT   38   32   32                                                 
CONECT   39    6    6                                                 
CONECT   40    9    9                                                 
CONECT   41   10   10                                                 
CONECT   42   14   12                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   31                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
