COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.373  -2.243   1.457  1.00  0.00           C  
HETATM    2  C   UNL     1       6.973  -2.729   0.317  1.00  0.00           C  
HETATM    3  C   UNL     1       0.562  -1.812   0.466  1.00  0.00           C  
HETATM    4  C   UNL     1       4.489  -2.474  -2.257  1.00  0.00           C  
HETATM    5  C   UNL     1       0.280  -0.470   0.194  1.00  0.00           C  
HETATM    6  C   UNL     1       4.938  -2.311  -0.927  1.00  0.00           C  
HETATM    7  C   UNL     1       4.333  -1.821   0.251  1.00  0.00           C  
HETATM    8  C   UNL     1       2.934  -1.343   0.227  1.00  0.00           C  
HETATM    9  C   UNL     1       1.876  -2.248   0.485  1.00  0.00           C  
HETATM   10  C   UNL     1       5.062  -1.793   1.431  1.00  0.00           C  
HETATM   11  C   UNL     1       1.334   0.442  -0.061  1.00  0.00           C  
HETATM   12  C   UNL     1       6.267  -2.769  -0.883  1.00  0.00           C  
HETATM   13  C   UNL     1       2.665  -0.008  -0.039  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.051   0.019   0.164  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.224   2.123  -0.334  1.00  0.00           C  
HETATM   16  C   UNL     1       1.187  -4.514   1.021  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.954  -2.885  -1.399  1.00  0.00           C  
HETATM   18  C   UNL     1       2.176  -3.663   0.777  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.686  -3.063  -0.562  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.968  -1.743  -0.450  1.00  0.00           C  
HETATM   21  C   UNL     1       1.110   4.890   0.476  1.00  0.00           C  
HETATM   22  C   UNL     1       0.224   5.399  -1.801  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.051  -1.992  -0.541  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.912  -1.459   1.944  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.009   5.753   1.064  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.869   6.247  -1.147  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.993  -0.907  -0.772  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.861  -0.399   1.597  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.995  -2.622   1.006  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.874  -0.566   0.558  1.00  0.00           C  
HETATM   31  C   UNL     1       0.634   4.277  -0.844  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.823  -1.669   0.736  1.00  0.00           C  
HETATM   33  C   UNL     1       4.424  -1.271   2.693  1.00  0.00           C  
HETATM   34  C   UNL     1       5.365   2.463   0.380  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.338   7.743   0.698  1.00  0.00           C  
HETATM   36  C   UNL     1       4.239   1.538   0.846  1.00  0.00           C  
HETATM   37  N   UNL     1       5.460  -2.976  -2.966  1.00  0.00           N  
HETATM   38  N   UNL     1       1.031   1.724  -0.319  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.243   1.303  -0.101  1.00  0.00           N  
HETATM   40  N   UNL     1       6.582  -3.180  -2.154  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.118  -0.821   0.403  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.818  -1.659   0.248  1.00  0.00           N  
HETATM   43  N   UNL     1      -0.365   6.812   0.112  1.00  0.00           N  
HETATM   44  O   UNL     1      -8.425  -0.756  -0.986  1.00  0.00           O  
HETATM   45  O   UNL     1       3.683   0.859  -0.281  1.00  0.00           O  
HETATM   46  O   UNL     1      -0.487   3.425  -0.599  1.00  0.00           O  
HETATM   47  H   UNL     1       6.928  -2.216   2.383  1.00  0.00           H  
HETATM   48  H   UNL     1       7.994  -3.080   0.353  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.242  -2.505   0.664  1.00  0.00           H  
HETATM   50  H   UNL     1       3.508  -2.217  -2.626  1.00  0.00           H  
HETATM   51  H   UNL     1       1.406  -5.550   1.234  1.00  0.00           H  
HETATM   52  H   UNL     1       0.163  -4.171   1.005  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.473  -3.839  -1.481  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.607  -2.156  -0.919  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.685  -2.531  -2.395  1.00  0.00           H  
HETATM   56  H   UNL     1       3.200  -4.006   0.793  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.955  -3.417   0.433  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.033  -3.792  -1.042  1.00  0.00           H  
HETATM   59  H   UNL     1       1.988   5.508   0.294  1.00  0.00           H  
HETATM   60  H   UNL     1       1.363   4.095   1.177  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.156   4.968  -2.727  1.00  0.00           H  
HETATM   62  H   UNL     1       1.089   6.026  -2.019  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.738  -2.017  -1.386  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.564  -2.962  -0.438  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.416  -2.397   2.194  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.504  -1.122   2.795  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.883   5.131   1.259  1.00  0.00           H  
HETATM   68  H   UNL     1       0.331   6.202   1.997  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.153   7.056  -1.820  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.739   5.623  -0.942  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.399  -1.160  -1.650  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.485   0.052  -0.930  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.355   0.552   1.401  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.171  -0.285   2.434  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.893  -3.593   0.519  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.265  -2.701   2.059  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.110  -0.030   1.478  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.677   0.098  -0.284  1.00  0.00           H  
HETATM   79  H   UNL     1       1.443   3.696  -1.288  1.00  0.00           H  
HETATM   80  H   UNL     1       3.941  -2.093   3.223  1.00  0.00           H  
HETATM   81  H   UNL     1       5.189  -0.828   3.330  1.00  0.00           H  
HETATM   82  H   UNL     1       3.680  -0.516   2.439  1.00  0.00           H  
HETATM   83  H   UNL     1       6.141   1.874  -0.108  1.00  0.00           H  
HETATM   84  H   UNL     1       4.966   3.194  -0.324  1.00  0.00           H  
HETATM   85  H   UNL     1       5.788   2.981   1.240  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.270   7.214   0.901  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.939   8.146   1.629  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.527   8.558   0.001  1.00  0.00           H  
HETATM   89  H   UNL     1       4.637   0.807   1.550  1.00  0.00           H  
HETATM   90  H   UNL     1       3.463   2.127   1.335  1.00  0.00           H  
HETATM   91  H   UNL     1       7.433  -3.546  -2.440  1.00  0.00           H  
CONECT    1    2    2   10   47                                       
CONECT    2   12    1    1   48                                       
CONECT    3    5    9    9   49                                       
CONECT    4   37   37    6   50                                       
CONECT    5   14   14   11    3                                       
CONECT    6    4   12   12    7                                       
CONECT    7    8    6   10   10                                       
CONECT    8   13   13    9    7                                       
CONECT    9    3    3    8   18                                       
CONECT   10    7    7    1   33                                       
CONECT   11   38   38    5   13                                       
CONECT   12   40    6    6    2                                       
CONECT   13   11   45    8    8                                       
CONECT   14   39   41    5    5                                       
CONECT   15   46   39   39   38                                       
CONECT   16   18   18   51   52                                       
CONECT   17   19   53   54   55                                       
CONECT   18    9   16   16   56                                       
CONECT   19   17   20   57   58                                       
CONECT   20   19   42   44   44                                       
CONECT   21   31   25   59   60                                       
CONECT   22   26   31   61   62                                       
CONECT   23   27   32   63   64                                       
CONECT   24   32   28   65   66                                       
CONECT   25   43   21   67   68                                       
CONECT   26   22   43   69   70                                       
CONECT   27   41   23   71   72                                       
CONECT   28   41   24   73   74                                       
CONECT   29   42   32   75   76                                       
CONECT   30   42   32   77   78                                       
CONECT   31   22   46   21   79                                       
CONECT   32   30   23   24   29                                       
CONECT   33   10   80   81   82                                       
CONECT   34   36   83   84   85                                       
CONECT   35   43   86   87   88                                       
CONECT   36   34   45   89   90                                       
CONECT   37    4    4   40                                            
CONECT   38   15   11   11                                            
CONECT   39   15   15   14                                            
CONECT   40   37   12   91                                            
CONECT   41   27   14   28                                            
CONECT   42   30   20   29                                            
CONECT   43   26   35   25                                            
CONECT   44   20   20                                                 
CONECT   45   36   13                                                 
CONECT   46   31   15                                                 
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   40                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
