COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.127  -1.365   0.291  1.00  0.00           C  
HETATM    2  C   UNL     1       9.351  -2.456   0.059  1.00  0.00           C  
HETATM    3  C   UNL     1      10.511  -2.426  -2.036  1.00  0.00           C  
HETATM    4  C   UNL     1       2.206   2.040   0.345  1.00  0.00           C  
HETATM    5  C   UNL     1       4.013   5.269  -0.297  1.00  0.00           C  
HETATM    6  C   UNL     1       3.923   6.278  -1.160  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.971  -6.079  -0.330  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.153  -4.811  -0.296  1.00  0.00           C  
HETATM    9  C   UNL     1       1.229  -5.121   0.278  1.00  0.00           C  
HETATM   10  C   UNL     1       2.021  -3.852   0.438  1.00  0.00           C  
HETATM   11  C   UNL     1       2.404  -1.678   1.318  1.00  0.00           C  
HETATM   12  C   UNL     1       1.795  -0.390   0.763  1.00  0.00           C  
HETATM   13  C   UNL     1       2.836   0.730   0.821  1.00  0.00           C  
HETATM   14  C   UNL     1       4.952  -0.296   0.536  1.00  0.00           C  
HETATM   15  C   UNL     1       6.114  -0.671  -0.269  1.00  0.00           C  
HETATM   16  C   UNL     1       8.299  -1.737  -0.518  1.00  0.00           C  
HETATM   17  C   UNL     1      10.448  -2.796  -0.704  1.00  0.00           C  
HETATM   18  C   UNL     1       9.469  -1.724  -2.617  1.00  0.00           C  
HETATM   19  C   UNL     1       8.367  -1.372  -1.866  1.00  0.00           C  
HETATM   20  C   UNL     1       3.075   4.141  -0.384  1.00  0.00           C  
HETATM   21  C   UNL     1       5.078   5.282   0.770  1.00  0.00           C  
HETATM   22  C   UNL     1       4.886   7.434  -1.071  1.00  0.00           C  
HETATM   23  C   UNL     1       0.964   2.345   1.188  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.002   1.161   1.102  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.342   1.670   1.192  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.653   3.168   1.225  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.014   3.413   0.570  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.763   3.624  -1.683  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.772   3.226  -3.136  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.089   2.623   1.321  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.843   1.725   0.338  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.503   0.896   1.822  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.284  -6.109  -1.064  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.431  -6.198  -0.053  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.593  -5.319  -0.520  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.238  -4.638   0.689  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.466  -3.157   0.381  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.449  -2.313   1.154  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.014  -0.908   1.372  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.366  -0.787   0.667  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.151  -0.756  -0.848  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.507  -0.759  -1.556  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.292  -0.728  -3.070  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.648  -0.732  -3.778  1.00  0.00           C  
HETATM   45  O   UNL     1      -0.572  -7.070   0.233  1.00  0.00           O  
HETATM   46  O   UNL     1       1.507  -2.797   1.088  1.00  0.00           O  
HETATM   47  O   UNL     1       3.939   0.398  -0.024  1.00  0.00           O  
HETATM   48  O   UNL     1       4.898  -0.611   1.709  1.00  0.00           O  
HETATM   49  O   UNL     1       3.166   3.119   0.491  1.00  0.00           O  
HETATM   50  O   UNL     1       2.216   4.131  -1.244  1.00  0.00           O  
HETATM   51  O   UNL     1       0.324   3.521   0.689  1.00  0.00           O  
HETATM   52  O   UNL     1      -1.143   1.409   1.923  1.00  0.00           O  
HETATM   53  O   UNL     1      -1.643   3.881   0.508  1.00  0.00           O  
HETATM   54  O   UNL     1      -3.971   2.976  -0.814  1.00  0.00           O  
HETATM   55  O   UNL     1      -5.469   4.527  -1.299  1.00  0.00           O  
HETATM   56  O   UNL     1      -4.472   1.817   2.326  1.00  0.00           O  
HETATM   57  O   UNL     1      -4.109   0.058   0.834  1.00  0.00           O  
HETATM   58  O   UNL     1       0.657  -0.026   1.547  1.00  0.00           O  
HETATM   59  O   UNL     1       3.135  -3.782  -0.025  1.00  0.00           O  
HETATM   60  H   UNL     1       7.078  -1.645   1.333  1.00  0.00           H  
HETATM   61  H   UNL     1       9.305  -2.741   1.099  1.00  0.00           H  
HETATM   62  H   UNL     1      11.371  -2.699  -2.629  1.00  0.00           H  
HETATM   63  H   UNL     1       1.920   1.947  -0.702  1.00  0.00           H  
HETATM   64  H   UNL     1       3.160   6.268  -1.924  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.048  -4.418  -1.307  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.651  -4.072   0.333  1.00  0.00           H  
HETATM   67  H   UNL     1       1.117  -5.602   1.249  1.00  0.00           H  
HETATM   68  H   UNL     1       1.758  -5.794  -0.398  1.00  0.00           H  
HETATM   69  H   UNL     1       3.355  -1.870   0.822  1.00  0.00           H  
HETATM   70  H   UNL     1       2.573  -1.565   2.389  1.00  0.00           H  
HETATM   71  H   UNL     1       1.486  -0.543  -0.271  1.00  0.00           H  
HETATM   72  H   UNL     1       3.186   0.846   1.847  1.00  0.00           H  
HETATM   73  H   UNL     1       6.162  -0.391  -1.311  1.00  0.00           H  
HETATM   74  H   UNL     1      11.261  -3.351  -0.260  1.00  0.00           H  
HETATM   75  H   UNL     1       9.525  -1.439  -3.657  1.00  0.00           H  
HETATM   76  H   UNL     1       7.555  -0.824  -2.320  1.00  0.00           H  
HETATM   77  H   UNL     1       5.978   4.799   0.391  1.00  0.00           H  
HETATM   78  H   UNL     1       5.306   6.313   1.042  1.00  0.00           H  
HETATM   79  H   UNL     1       4.719   4.745   1.648  1.00  0.00           H  
HETATM   80  H   UNL     1       4.790   7.912  -0.096  1.00  0.00           H  
HETATM   81  H   UNL     1       5.905   7.069  -1.198  1.00  0.00           H  
HETATM   82  H   UNL     1       4.659   8.157  -1.854  1.00  0.00           H  
HETATM   83  H   UNL     1       1.257   2.501   2.226  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.322   1.033   0.067  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.213   1.352   0.157  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.679   3.512   2.259  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.251   4.476   0.609  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.530   2.459  -3.298  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.000   4.097  -3.750  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.793   2.833  -3.411  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.788   3.316   1.790  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.269   0.815   0.165  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.816   1.467   0.755  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.980   2.253  -0.605  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.126   0.278   2.637  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.391  -5.201  -1.656  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.312  -6.978  -1.722  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.767  -7.232   0.026  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.084  -5.853   0.921  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.220  -4.559  -1.207  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.334  -5.936  -1.027  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.193  -5.115   0.908  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.579  -4.731   1.553  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.343  -2.985  -0.688  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.476  -2.875   0.681  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.251  -2.778   2.120  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.523  -2.248   0.584  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.143  -0.730   2.439  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.990  -1.642   0.928  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.859   0.132   0.983  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.602   0.147  -1.118  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.580  -1.633  -1.152  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.056  -1.661  -1.285  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.078   0.118  -1.252  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.743   0.174  -3.341  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.721  -1.605  -3.374  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.197  -1.634  -3.508  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.219   0.146  -3.474  1.00  0.00           H  
HETATM  119  H   UNL     1      -8.495  -0.709  -4.857  1.00  0.00           H  
HETATM  120  H   UNL     1       0.849   4.327   0.789  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.776   4.839   0.488  1.00  0.00           H  
CONECT    1   16   15   15   60                                       
CONECT    2   17   17   16   61                                       
CONECT    3   18   18   17   62                                       
CONECT    4   13   49   23   63                                       
CONECT    5    6    6   20   21                                       
CONECT    6   22    5    5   64                                       
CONECT    7    8   33   45   45                                       
CONECT    8    9    7   65   66                                       
CONECT    9   10    8   67   68                                       
CONECT   10   59   59   46    9                                       
CONECT   11   12   46   69   70                                       
CONECT   12   13   11   58   71                                       
CONECT   13   47    4   12   72                                       
CONECT   14   15   47   48   48                                       
CONECT   15    1    1   14   73                                       
CONECT   16   19   19    2    1                                       
CONECT   17    3    2    2   74                                       
CONECT   18    3    3   19   75                                       
CONECT   19   18   16   16   76                                       
CONECT   20   50   50    5   49                                       
CONECT   21    5   77   78   79                                       
CONECT   22    6   80   81   82                                       
CONECT   23    4   51   24   83                                       
CONECT   24   23   58   52   84                                       
CONECT   25   52   32   26   85                                       
CONECT   26   25   53   27   86                                       
CONECT   27   54   26   30   87                                       
CONECT   28   55   55   54   29                                       
CONECT   29   28   88   89   90                                       
CONECT   30   56   27   31   91                                       
CONECT   31   30   92   93   94                                       
CONECT   32   57   25   56   95                                       
CONECT   33    7   34   96   97                                       
CONECT   34   33   35   98   99                                       
CONECT   35   36   34  100  101                                       
CONECT   36   37   35  102  103                                       
CONECT   37   38   36  104  105                                       
CONECT   38   39   37  106  107                                       
CONECT   39   40   57   38  108                                       
CONECT   40   41   39  109  110                                       
CONECT   41   40   42  111  112                                       
CONECT   42   41   43  113  114                                       
CONECT   43   42   44  115  116                                       
CONECT   44   43  117  118  119                                       
CONECT   45    7    7                                                 
CONECT   46   11   10                                                 
CONECT   47   14   13                                                 
CONECT   48   14   14                                                 
CONECT   49   20    4                                                 
CONECT   50   20   20                                                 
CONECT   51   23  120                                                 
CONECT   52   24   25                                                 
CONECT   53   26  121                                                 
CONECT   54   28   27                                                 
CONECT   55   28   28                                                 
CONECT   56   32   30                                                 
CONECT   57   39   32                                                 
CONECT   58   12   24                                                 
CONECT   59   10   10                                                 
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    6                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68    9                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   33                                                      
CONECT   97   33                                                      
CONECT   98   34                                                      
CONECT   99   34                                                      
CONECT  100   35                                                      
CONECT  101   35                                                      
CONECT  102   36                                                      
CONECT  103   36                                                      
CONECT  104   37                                                      
CONECT  105   37                                                      
CONECT  106   38                                                      
CONECT  107   38                                                      
CONECT  108   39                                                      
CONECT  109   40                                                      
CONECT  110   40                                                      
CONECT  111   41                                                      
CONECT  112   41                                                      
CONECT  113   42                                                      
CONECT  114   42                                                      
CONECT  115   43                                                      
CONECT  116   43                                                      
CONECT  117   44                                                      
CONECT  118   44                                                      
CONECT  119   44                                                      
CONECT  120   51                                                      
CONECT  121   53                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
