COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.884   2.774   1.289  1.00  0.00           C  
HETATM    2  C   UNL     1       1.164   2.069   0.249  1.00  0.00           C  
HETATM    3  C   UNL     1       7.069   2.871   0.787  1.00  0.00           C  
HETATM    4  C   UNL     1       3.467  -2.628  -0.794  1.00  0.00           C  
HETATM    5  C   UNL     1       6.657   0.242   1.535  1.00  0.00           C  
HETATM    6  C   UNL     1       7.664   0.979   2.129  1.00  0.00           C  
HETATM    7  C   UNL     1       1.051  -0.383   0.781  1.00  0.00           C  
HETATM    8  C   UNL     1       5.856   0.819   0.567  1.00  0.00           C  
HETATM    9  C   UNL     1       4.758   0.015  -0.080  1.00  0.00           C  
HETATM   10  C   UNL     1       3.466   0.177   0.722  1.00  0.00           C  
HETATM   11  C   UNL     1       2.351  -0.639   0.064  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.862   0.511   0.890  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.241   0.003   0.742  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.389  -1.359   1.423  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.156  -2.214   1.127  1.00  0.00           C  
HETATM   16  C   UNL     1       4.850  -5.946  -1.522  1.00  0.00           C  
HETATM   17  C   UNL     1       3.987  -6.878  -2.067  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.304  -3.576   1.807  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.667  -0.282  -0.006  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.070  -4.431   1.511  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.829   0.901   2.327  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.526   0.812   0.934  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.661   0.128   0.216  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.196   0.544  -0.943  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.186  -0.312  -1.280  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.070  -0.388  -2.346  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.990  -1.415  -2.403  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.037  -2.373  -1.401  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.167  -2.312  -0.336  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.231  -1.279  -0.265  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.257  -0.950   0.626  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.115   0.727   1.338  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.705   1.256   1.503  1.00  0.00           C  
HETATM   34  N   UNL     1       0.548   0.866   0.839  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.013   3.053   0.035  1.00  0.00           C  
HETATM   36  O   UNL     1       0.447   4.406   0.022  1.00  0.00           O  
HETATM   37  C   UNL     1       0.640   4.941  -1.289  1.00  0.00           C  
HETATM   38  C   UNL     1       1.123   6.365  -1.184  1.00  0.00           C  
HETATM   39  C   UNL     1       2.477   6.633  -1.126  1.00  0.00           C  
HETATM   40  C   UNL     1       2.920   7.939  -1.030  1.00  0.00           C  
HETATM   41  C   UNL     1       2.008   8.977  -0.992  1.00  0.00           C  
HETATM   42  C   UNL     1       2.491  10.400  -0.887  1.00  0.00           C  
HETATM   43  C   UNL     1       0.653   8.709  -1.052  1.00  0.00           C  
HETATM   44  C   UNL     1       0.211   7.403  -1.152  1.00  0.00           C  
HETATM   45  O   UNL     1       0.456  -1.301   1.306  1.00  0.00           O  
HETATM   46  C   UNL     1       7.870   2.294   1.755  1.00  0.00           C  
HETATM   47  C   UNL     1       6.062   2.133   0.193  1.00  0.00           C  
HETATM   48  N   UNL     1       2.679  -2.065   0.143  1.00  0.00           N  
HETATM   49  O   UNL     1       3.906  -1.952  -1.704  1.00  0.00           O  
HETATM   50  O   UNL     1       3.769  -3.938  -0.723  1.00  0.00           O  
HETATM   51  C   UNL     1       4.623  -4.476  -1.766  1.00  0.00           C  
HETATM   52  C   UNL     1       5.917  -6.361  -0.747  1.00  0.00           C  
HETATM   53  C   UNL     1       6.121  -7.709  -0.518  1.00  0.00           C  
HETATM   54  C   UNL     1       5.259  -8.641  -1.063  1.00  0.00           C  
HETATM   55  C   UNL     1       4.195  -8.226  -1.843  1.00  0.00           C  
HETATM   56  N   UNL     1      -2.213  -5.739   2.165  1.00  0.00           N  
HETATM   57  H   UNL     1      -1.929   3.015   1.094  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.512   3.331   2.148  1.00  0.00           H  
HETATM   59  H   UNL     1       1.896   2.496   0.934  1.00  0.00           H  
HETATM   60  H   UNL     1       1.633   1.825  -0.705  1.00  0.00           H  
HETATM   61  H   UNL     1       7.228   3.900   0.498  1.00  0.00           H  
HETATM   62  H   UNL     1       6.496  -0.786   1.827  1.00  0.00           H  
HETATM   63  H   UNL     1       8.289   0.529   2.885  1.00  0.00           H  
HETATM   64  H   UNL     1       4.601   0.369  -1.099  1.00  0.00           H  
HETATM   65  H   UNL     1       5.043  -1.038  -0.102  1.00  0.00           H  
HETATM   66  H   UNL     1       3.623  -0.177   1.740  1.00  0.00           H  
HETATM   67  H   UNL     1       3.181   1.229   0.743  1.00  0.00           H  
HETATM   68  H   UNL     1       2.254  -0.346  -0.981  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.057  -0.141  -0.322  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.484  -1.219   2.500  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.279  -1.860   1.042  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.061  -2.355   0.050  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.266  -1.713   1.507  1.00  0.00           H  
HETATM   74  H   UNL     1       3.151  -6.553  -2.668  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.398  -3.436   2.884  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.194  -4.078   1.427  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.976  -4.572   0.434  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.181  -3.930   1.892  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.964   0.045   2.756  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.389   1.813   0.527  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.039   0.354  -3.129  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.677  -1.473  -3.233  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.762  -3.172  -1.457  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.208  -3.060   0.442  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.271   1.362   2.055  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.646   1.037   2.569  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.558   2.818  -0.879  1.00  0.00           H  
HETATM   88  H   UNL     1       1.382   4.344  -1.820  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.304   4.916  -1.834  1.00  0.00           H  
HETATM   90  H   UNL     1       3.190   5.822  -1.156  1.00  0.00           H  
HETATM   91  H   UNL     1       3.979   8.148  -0.984  1.00  0.00           H  
HETATM   92  H   UNL     1       2.639  10.809  -1.887  1.00  0.00           H  
HETATM   93  H   UNL     1       1.749  10.997  -0.357  1.00  0.00           H  
HETATM   94  H   UNL     1       3.434  10.425  -0.341  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.059   9.520  -1.023  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.848   7.194  -1.202  1.00  0.00           H  
HETATM   97  H   UNL     1       8.657   2.870   2.219  1.00  0.00           H  
HETATM   98  H   UNL     1       5.437   2.584  -0.563  1.00  0.00           H  
HETATM   99  H   UNL     1       2.329  -2.604   0.869  1.00  0.00           H  
HETATM  100  H   UNL     1       5.580  -3.954  -1.757  1.00  0.00           H  
HETATM  101  H   UNL     1       4.143  -4.339  -2.735  1.00  0.00           H  
HETATM  102  H   UNL     1       6.591  -5.633  -0.321  1.00  0.00           H  
HETATM  103  H   UNL     1       6.955  -8.033   0.086  1.00  0.00           H  
HETATM  104  H   UNL     1       5.419  -9.694  -0.885  1.00  0.00           H  
HETATM  105  H   UNL     1       3.521  -8.955  -2.269  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.410  -6.323   1.984  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.366  -5.633   3.156  1.00  0.00           H  
CONECT    1   33   35   57   58                                       
CONECT    2   34   35   59   60                                       
CONECT    3   46   46   47   61                                       
CONECT    4   48   49   49   50                                       
CONECT    5    6    6    8   62                                       
CONECT    6    5    5   46   63                                       
CONECT    7   11   34   45   45                                       
CONECT    8    5    9   47   47                                       
CONECT    9    8   10   64   65                                       
CONECT   10    9   11   66   67                                       
CONECT   11    7   10   48   68                                       
CONECT   12   19   19   32   33                                       
CONECT   13   14   22   32   69                                       
CONECT   14   13   15   70   71                                       
CONECT   15   14   18   72   73                                       
CONECT   16   17   17   51   52                                       
CONECT   17   16   16   55   74                                       
CONECT   18   15   20   75   76                                       
CONECT   19   12   12                                                 
CONECT   20   18   56   77   78                                       
CONECT   21   22   79                                                 
CONECT   22   13   21   23   80                                       
CONECT   23   22   24   31   31                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   81                                       
CONECT   27   26   28   28   82                                       
CONECT   28   27   27   29   83                                       
CONECT   29   28   30   30   84                                       
CONECT   30   25   29   29   31                                       
CONECT   31   23   23   30                                            
CONECT   32   12   13   85                                            
CONECT   33    1   12   34   86                                       
CONECT   34    2    7   33                                            
CONECT   35    1    2   36   87                                       
CONECT   36   35   37                                                 
CONECT   37   36   38   88   89                                       
CONECT   38   37   39   39   44                                       
CONECT   39   38   38   40   90                                       
CONECT   40   39   41   41   91                                       
CONECT   41   40   40   42   43                                       
CONECT   42   41   92   93   94                                       
CONECT   43   41   44   44   95                                       
CONECT   44   38   43   43   96                                       
CONECT   45    7    7                                                 
CONECT   46    3    3    6   97                                       
CONECT   47    3    8    8   98                                       
CONECT   48    4   11   99                                            
CONECT   49    4    4                                                 
CONECT   50    4   51                                                 
CONECT   51   16   50  100  101                                       
CONECT   52   16   53   53  102                                       
CONECT   53   52   52   54  103                                       
CONECT   54   53   55   55  104                                       
CONECT   55   17   54   54  105                                       
CONECT   56   20  106  107                                            
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   35                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   52                                                      
CONECT  103   53                                                      
CONECT  104   54                                                      
CONECT  105   55                                                      
CONECT  106   56                                                      
CONECT  107   56                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
