COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       9.298   2.523  -0.108  1.00  0.00           N  
HETATM    2  C   UNL     1       7.319   1.219   0.414  1.00  0.00           C  
HETATM    3  C   UNL     1       7.695   4.724  -1.084  1.00  0.00           C  
HETATM    4  C   UNL     1       5.639   3.416  -0.532  1.00  0.00           C  
HETATM    5  C   UNL     1       7.280   2.523  -2.191  1.00  0.00           C  
HETATM    6  C   UNL     1       5.649  -0.280   1.532  1.00  0.00           C  
HETATM    7  C   UNL     1       5.836   1.982   2.291  1.00  0.00           C  
HETATM    8  C   UNL     1       4.938  -0.680   0.265  1.00  0.00           C  
HETATM    9  C   UNL     1       1.556  -3.494  -0.130  1.00  0.00           C  
HETATM   10  C   UNL     1       0.877  -4.683   0.077  1.00  0.00           C  
HETATM   11  C   UNL     1       1.431  -5.884  -0.366  1.00  0.00           C  
HETATM   12  C   UNL     1       3.335  -4.688  -1.217  1.00  0.00           C  
HETATM   13  C   UNL     1       1.246  -8.298   0.341  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.822  -9.071   0.063  1.00  0.00           C  
HETATM   15  C   UNL     1       7.876   2.608   0.233  1.00  0.00           C  
HETATM   16  C   UNL     1       7.123   3.318  -0.893  1.00  0.00           C  
HETATM   17  N   UNL     1       6.355   0.994   1.328  1.00  0.00           N  
HETATM   18  O   UNL     1       7.738   0.305  -0.264  1.00  0.00           O  
HETATM   19  C   UNL     1       4.622  -0.058   2.662  1.00  0.00           C  
HETATM   20  C   UNL     1       4.414   1.480   2.646  1.00  0.00           C  
HETATM   21  O   UNL     1       4.010   1.955   3.932  1.00  0.00           O  
HETATM   22  O   UNL     1       5.021   0.019  -0.723  1.00  0.00           O  
HETATM   23  N   UNL     1       4.211  -1.814   0.230  1.00  0.00           N  
HETATM   24  C   UNL     1       3.520  -2.203  -1.002  1.00  0.00           C  
HETATM   25  C   UNL     1       2.784  -3.499  -0.778  1.00  0.00           C  
HETATM   26  C   UNL     1       2.666  -5.879  -1.015  1.00  0.00           C  
HETATM   27  C   UNL     1       0.713  -7.158  -0.147  1.00  0.00           C  
HETATM   28  N   UNL     1       0.394  -9.295   0.435  1.00  0.00           N  
HETATM   29  S   UNL     1      -0.992  -7.458  -0.477  1.00  0.00           S  
HETATM   30  C   UNL     1       2.694  -8.420   0.739  1.00  0.00           C  
HETATM   31  C   UNL     1      10.121   3.553   0.172  1.00  0.00           C  
HETATM   32  C   UNL     1      11.584   3.465  -0.180  1.00  0.00           C  
HETATM   33  O   UNL     1       9.685   4.550   0.706  1.00  0.00           O  
HETATM   34  F   UNL     1      11.892   2.670  -1.288  1.00  0.00           F  
HETATM   35  C   UNL     1      12.443   4.709   0.058  1.00  0.00           C  
HETATM   36  C   UNL     1      12.590   3.490   0.973  1.00  0.00           C  
HETATM   37  O   UNL     1       1.016  -2.321   0.295  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.253  -2.390   0.948  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.916  -0.197   0.177  1.00  0.00           O  
HETATM   40  C   UNL     1      -1.335   1.143   0.444  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.539   1.886  -0.877  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.620   1.289  -1.597  1.00  0.00           O  
HETATM   43  C   UNL     1      -0.695  -0.982   1.351  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.895   1.911  -2.853  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.063   1.193  -3.533  1.00  0.00           C  
HETATM   46  N   UNL     1      -5.270   1.330  -2.706  1.00  0.00           N  
HETATM   47  C   UNL     1      -5.842   2.678  -2.828  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.047   2.805  -1.893  1.00  0.00           C  
HETATM   49  N   UNL     1      -8.042   1.780  -2.240  1.00  0.00           N  
HETATM   50  C   UNL     1      -7.470   0.432  -2.118  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.265   0.306  -3.052  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.188   1.910  -1.454  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.124   1.808  -0.069  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.313   1.949   0.652  1.00  0.00           C  
HETATM   55  N   UNL     1     -11.452   2.173   0.010  1.00  0.00           N  
HETATM   56  N   UNL     1     -11.512   2.267  -1.269  1.00  0.00           N  
HETATM   57  C   UNL     1     -10.441   2.154  -2.036  1.00  0.00           C  
HETATM   58  N   UNL     1     -10.559   2.265  -3.420  1.00  0.00           N  
HETATM   59  C   UNL     1     -10.301   1.849   2.131  1.00  0.00           C  
HETATM   60  C   UNL     1     -11.491   1.984   2.854  1.00  0.00           C  
HETATM   61  C   UNL     1     -11.470   1.888   4.236  1.00  0.00           C  
HETATM   62  C   UNL     1     -10.278   1.660   4.897  1.00  0.00           C  
HETATM   63  C   UNL     1      -9.099   1.526   4.184  1.00  0.00           C  
HETATM   64  C   UNL     1      -9.106   1.614   2.807  1.00  0.00           C  
HETATM   65  O   UNL     1     -12.662   2.209   2.203  1.00  0.00           O  
HETATM   66  H   UNL     1       9.648   1.724  -0.532  1.00  0.00           H  
HETATM   67  H   UNL     1       7.159   5.229  -1.886  1.00  0.00           H  
HETATM   68  H   UNL     1       7.583   5.290  -0.159  1.00  0.00           H  
HETATM   69  H   UNL     1       8.752   4.654  -1.341  1.00  0.00           H  
HETATM   70  H   UNL     1       5.251   2.420  -0.316  1.00  0.00           H  
HETATM   71  H   UNL     1       5.520   4.050   0.346  1.00  0.00           H  
HETATM   72  H   UNL     1       5.089   3.846  -1.369  1.00  0.00           H  
HETATM   73  H   UNL     1       6.872   1.521  -2.056  1.00  0.00           H  
HETATM   74  H   UNL     1       6.743   3.029  -2.994  1.00  0.00           H  
HETATM   75  H   UNL     1       8.337   2.453  -2.449  1.00  0.00           H  
HETATM   76  H   UNL     1       6.356  -1.057   1.821  1.00  0.00           H  
HETATM   77  H   UNL     1       6.463   2.009   3.182  1.00  0.00           H  
HETATM   78  H   UNL     1       5.786   2.969   1.831  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.078  -4.681   0.581  1.00  0.00           H  
HETATM   80  H   UNL     1       4.290  -4.686  -1.720  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.619  -9.800   0.088  1.00  0.00           H  
HETATM   82  H   UNL     1       7.758   3.170   1.160  1.00  0.00           H  
HETATM   83  H   UNL     1       3.688  -0.575   2.442  1.00  0.00           H  
HETATM   84  H   UNL     1       5.026  -0.385   3.620  1.00  0.00           H  
HETATM   85  H   UNL     1       3.695   1.769   1.880  1.00  0.00           H  
HETATM   86  H   UNL     1       3.961   2.919   3.997  1.00  0.00           H  
HETATM   87  H   UNL     1       4.145  -2.372   1.020  1.00  0.00           H  
HETATM   88  H   UNL     1       2.809  -1.425  -1.281  1.00  0.00           H  
HETATM   89  H   UNL     1       4.248  -2.333  -1.802  1.00  0.00           H  
HETATM   90  H   UNL     1       3.099  -6.806  -1.360  1.00  0.00           H  
HETATM   91  H   UNL     1       3.295  -8.652  -0.141  1.00  0.00           H  
HETATM   92  H   UNL     1       3.032  -7.478   1.172  1.00  0.00           H  
HETATM   93  H   UNL     1       2.803  -9.217   1.474  1.00  0.00           H  
HETATM   94  H   UNL     1      13.249   4.907  -0.650  1.00  0.00           H  
HETATM   95  H   UNL     1      11.951   5.590   0.468  1.00  0.00           H  
HETATM   96  H   UNL     1      12.194   3.571   1.985  1.00  0.00           H  
HETATM   97  H   UNL     1      13.492   2.888   0.867  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.988  -2.821   0.268  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.170  -3.014   1.837  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.272   1.127   1.001  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.571   1.652   1.033  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.772   2.931  -0.674  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.629   1.826  -1.473  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.619  -1.042   1.927  1.00  0.00           H  
HETATM  105  H   UNL     1       0.081  -0.517   1.959  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.157   2.957  -2.691  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.013   1.852  -3.490  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.242   1.637  -4.512  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.822   0.137  -3.651  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.090   3.419  -2.554  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.160   2.847  -3.857  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.724   2.664  -0.862  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.490   3.795  -2.003  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.152   0.264  -1.089  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.222  -0.308  -2.391  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.588   0.447  -4.084  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.821  -0.684  -2.942  1.00  0.00           H  
HETATM  118  H   UNL     1      -8.186   1.626   0.433  1.00  0.00           H  
HETATM  119  H   UNL     1     -11.427   2.425  -3.822  1.00  0.00           H  
HETATM  120  H   UNL     1      -9.773   2.181  -3.982  1.00  0.00           H  
HETATM  121  H   UNL     1     -12.387   1.992   4.797  1.00  0.00           H  
HETATM  122  H   UNL     1     -10.266   1.586   5.974  1.00  0.00           H  
HETATM  123  H   UNL     1      -8.172   1.349   4.708  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.185   1.504   2.254  1.00  0.00           H  
HETATM  125  H   UNL     1     -13.135   1.403   1.956  1.00  0.00           H  
CONECT    1   31   15   66                                            
CONECT    2   15   18   18   17                                       
CONECT    3   16   67   68   69                                       
CONECT    4   16   70   71   72                                       
CONECT    5   16   73   74   75                                       
CONECT    6   17   19    8   76                                       
CONECT    7   17   20   77   78                                       
CONECT    8    6   22   22   23                                       
CONECT    9   25   37   10   10                                       
CONECT   10    9    9   11   79                                       
CONECT   11   26   26   10   27                                       
CONECT   12   25   25   26   80                                       
CONECT   13   27   27   30   28                                       
CONECT   14   29   28   28   81                                       
CONECT   15    1   16    2   82                                       
CONECT   16    5   15    4    3                                       
CONECT   17    2    7    6                                            
CONECT   18    2    2                                                 
CONECT   19   20    6   83   84                                       
CONECT   20   21    7   19   85                                       
CONECT   21   20   86                                                 
CONECT   22    8    8                                                 
CONECT   23    8   24   87                                            
CONECT   24   23   25   88   89                                       
CONECT   25   24   12   12    9                                       
CONECT   26   12   11   11   90                                       
CONECT   27   11   29   13   13                                       
CONECT   28   13   14   14                                            
CONECT   29   27   14                                                 
CONECT   30   13   91   92   93                                       
CONECT   31   32   33   33    1                                       
CONECT   32   35   36   34   31                                       
CONECT   33   31   31                                                 
CONECT   34   32                                                      
CONECT   35   36   32   94   95                                       
CONECT   36   35   32   96   97                                       
CONECT   37    9   38                                                 
CONECT   38   37   43   98   99                                       
CONECT   39   40   43                                                 
CONECT   40   41   39  100  101                                       
CONECT   41   42   40  102  103                                       
CONECT   42   44   41                                                 
CONECT   43   39   38  104  105                                       
CONECT   44   45   42  106  107                                       
CONECT   45   46   44  108  109                                       
CONECT   46   51   47   45                                            
CONECT   47   48   46  110  111                                       
CONECT   48   49   47  112  113                                       
CONECT   49   52   50   48                                            
CONECT   50   49   51  114  115                                       
CONECT   51   50   46  116  117                                       
CONECT   52   57   57   53   49                                       
CONECT   53   54   54   52  118                                       
CONECT   54   55   59   53   53                                       
CONECT   55   56   56   54                                            
CONECT   56   55   55   57                                            
CONECT   57   56   58   52   52                                       
CONECT   58   57  119  120                                            
CONECT   59   60   54   64   64                                       
CONECT   60   65   61   61   59                                       
CONECT   61   60   60   62  121                                       
CONECT   62   61   63   63  122                                       
CONECT   63   62   62   64  123                                       
CONECT   64   59   59   63  124                                       
CONECT   65   60  125                                                 
CONECT   66    1                                                      
CONECT   67    3                                                      
CONECT   68    3                                                      
CONECT   69    3                                                      
CONECT   70    4                                                      
CONECT   71    4                                                      
CONECT   72    4                                                      
CONECT   73    5                                                      
CONECT   74    5                                                      
CONECT   75    5                                                      
CONECT   76    6                                                      
CONECT   77    7                                                      
CONECT   78    7                                                      
CONECT   79   10                                                      
CONECT   80   12                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   19                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   21                                                      
CONECT   87   23                                                      
CONECT   88   24                                                      
CONECT   89   24                                                      
CONECT   90   26                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   30                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   40                                                      
CONECT  101   40                                                      
CONECT  102   41                                                      
CONECT  103   41                                                      
CONECT  104   43                                                      
CONECT  105   43                                                      
CONECT  106   44                                                      
CONECT  107   44                                                      
CONECT  108   45                                                      
CONECT  109   45                                                      
CONECT  110   47                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   48                                                      
CONECT  114   50                                                      
CONECT  115   50                                                      
CONECT  116   51                                                      
CONECT  117   51                                                      
CONECT  118   53                                                      
CONECT  119   58                                                      
CONECT  120   58                                                      
CONECT  121   61                                                      
CONECT  122   62                                                      
CONECT  123   63                                                      
CONECT  124   64                                                      
CONECT  125   65                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
