COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.557   3.856   0.288  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.627   4.039   2.479  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.734   4.748   3.762  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.976  -0.663  -1.374  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.220  -2.303  -1.775  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.951  -2.317  -2.588  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.770  -2.330  -1.977  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.417  -2.932   1.528  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.521   2.267  -4.121  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.485   1.214  -3.572  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.413   0.739  -4.692  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.688   0.025  -3.031  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.853   0.475  -1.831  1.00  0.00           C  
HETATM   14  N   UNL     1      -7.744   0.874  -0.738  1.00  0.00           N  
HETATM   15  C   UNL     1      -8.241   2.126  -0.697  1.00  0.00           C  
HETATM   16  O   UNL     1      -7.951   2.924  -1.566  1.00  0.00           O  
HETATM   17  O   UNL     1      -9.060   2.492   0.308  1.00  0.00           O  
HETATM   18  C   UNL     1     -10.451   4.082   1.480  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.807   3.831   1.385  1.00  0.00           C  
HETATM   20  C   UNL     1     -12.090   4.497   3.668  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.914   4.541   2.669  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.085  -1.098  -0.247  1.00  0.00           O  
HETATM   23  N   UNL     1      -5.072  -1.197  -2.218  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.674  -2.749  -0.570  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.647  -3.213  -0.006  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.508  -2.619   0.094  1.00  0.00           N  
HETATM   27  C   UNL     1       0.235  -1.745   2.245  1.00  0.00           C  
HETATM   28  N   UNL     1       1.514  -1.428   1.596  1.00  0.00           N  
HETATM   29  C   UNL     1       2.251  -0.410   2.356  1.00  0.00           C  
HETATM   30  C   UNL     1       2.875  -1.052   3.597  1.00  0.00           C  
HETATM   31  C   UNL     1       3.693  -0.005   4.359  1.00  0.00           C  
HETATM   32  C   UNL     1       4.834   0.491   3.468  1.00  0.00           C  
HETATM   33  N   UNL     1       5.688  -0.642   3.089  1.00  0.00           N  
HETATM   34  C   UNL     1       6.810  -0.208   2.387  1.00  0.00           C  
HETATM   35  C   UNL     1       6.653   0.489   1.190  1.00  0.00           C  
HETATM   36  C   UNL     1       7.770   0.919   0.496  1.00  0.00           C  
HETATM   37  C   UNL     1       7.977   1.661  -0.765  1.00  0.00           C  
HETATM   38  O   UNL     1       7.101   2.072  -1.498  1.00  0.00           O  
HETATM   39  N   UNL     1       9.300   1.804  -0.964  1.00  0.00           N  
HETATM   40  C   UNL     1       9.896   2.490  -2.113  1.00  0.00           C  
HETATM   41  C   UNL     1       9.633   1.679  -3.386  1.00  0.00           C  
HETATM   42  C   UNL     1      10.356   0.333  -3.265  1.00  0.00           C  
HETATM   43  C   UNL     1      11.818   0.580  -2.997  1.00  0.00           C  
HETATM   44  O   UNL     1      12.637  -0.229  -3.376  1.00  0.00           O  
HETATM   45  N   UNL     1      12.230   1.678  -2.346  1.00  0.00           N  
HETATM   46  C   UNL     1      11.382   2.620  -1.907  1.00  0.00           C  
HETATM   47  O   UNL     1      11.820   3.594  -1.334  1.00  0.00           O  
HETATM   48  C   UNL     1      10.004   1.236   0.032  1.00  0.00           C  
HETATM   49  O   UNL     1      11.216   1.212   0.118  1.00  0.00           O  
HETATM   50  C   UNL     1       9.060   0.650   1.002  1.00  0.00           C  
HETATM   51  C   UNL     1       9.206  -0.045   2.194  1.00  0.00           C  
HETATM   52  C   UNL     1       8.083  -0.468   2.886  1.00  0.00           C  
HETATM   53  F   UNL     1       8.225  -1.140   4.049  1.00  0.00           F  
HETATM   54  C   UNL     1       4.936  -1.638   2.315  1.00  0.00           C  
HETATM   55  C   UNL     1       3.798  -2.198   3.171  1.00  0.00           C  
HETATM   56  C   UNL     1       1.315  -1.005   0.204  1.00  0.00           C  
HETATM   57  C   UNL     1       0.707  -2.161  -0.597  1.00  0.00           C  
HETATM   58  C   UNL     1      -4.962  -3.627  -1.966  1.00  0.00           C  
HETATM   59  C   UNL     1      -6.184  -3.664  -1.046  1.00  0.00           C  
HETATM   60  C   UNL     1      -6.970  -4.981  -1.242  1.00  0.00           C  
HETATM   61  C   UNL     1      -7.441  -5.285   0.198  1.00  0.00           C  
HETATM   62  N   UNL     1      -6.470  -4.620   1.075  1.00  0.00           N  
HETATM   63  C   UNL     1      -5.754  -3.701   0.404  1.00  0.00           C  
HETATM   64  O   UNL     1      -4.890  -3.003   0.891  1.00  0.00           O  
HETATM   65  H   UNL     1      -8.718   4.550   0.326  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.125   4.023  -0.628  1.00  0.00           H  
HETATM   67  H   UNL     1     -13.687   3.846   2.403  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.315   5.106   4.691  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.974  -2.172  -0.721  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.001  -2.316  -3.667  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.881  -2.032  -2.513  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.416  -3.099   1.931  1.00  0.00           H  
HETATM   73  H   UNL     1       0.190  -3.826   1.673  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.088   3.114  -4.507  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.859   2.606  -3.324  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.927   1.832  -4.925  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.079   1.650  -2.768  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.820   0.304  -5.495  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.101  -0.011  -4.300  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.981   1.586  -5.077  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.376  -0.762  -2.721  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.028  -0.355  -3.811  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.229   1.321  -2.118  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.976   0.237  -0.044  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.226   3.473   0.456  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.730   4.659   4.522  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.855   4.737   2.743  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.985  -0.849  -3.120  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.425  -0.880   2.190  1.00  0.00           H  
HETATM   90  H   UNL     1       0.410  -2.003   3.289  1.00  0.00           H  
HETATM   91  H   UNL     1       3.038   0.011   1.730  1.00  0.00           H  
HETATM   92  H   UNL     1       1.567   0.382   2.662  1.00  0.00           H  
HETATM   93  H   UNL     1       2.087  -1.439   4.242  1.00  0.00           H  
HETATM   94  H   UNL     1       3.050   0.833   4.627  1.00  0.00           H  
HETATM   95  H   UNL     1       4.105  -0.453   5.263  1.00  0.00           H  
HETATM   96  H   UNL     1       4.421   0.951   2.570  1.00  0.00           H  
HETATM   97  H   UNL     1       5.427   1.226   4.012  1.00  0.00           H  
HETATM   98  H   UNL     1       5.664   0.693   0.807  1.00  0.00           H  
HETATM   99  H   UNL     1       9.454   3.482  -2.214  1.00  0.00           H  
HETATM  100  H   UNL     1       8.562   1.510  -3.498  1.00  0.00           H  
HETATM  101  H   UNL     1      10.013   2.222  -4.251  1.00  0.00           H  
HETATM  102  H   UNL     1       9.927  -0.239  -2.443  1.00  0.00           H  
HETATM  103  H   UNL     1      10.246  -0.225  -4.195  1.00  0.00           H  
HETATM  104  H   UNL     1      13.180   1.795  -2.186  1.00  0.00           H  
HETATM  105  H   UNL     1      10.192  -0.253   2.583  1.00  0.00           H  
HETATM  106  H   UNL     1       4.522  -1.169   1.423  1.00  0.00           H  
HETATM  107  H   UNL     1       5.603  -2.450   2.023  1.00  0.00           H  
HETATM  108  H   UNL     1       4.212  -2.680   4.057  1.00  0.00           H  
HETATM  109  H   UNL     1       3.230  -2.926   2.592  1.00  0.00           H  
HETATM  110  H   UNL     1       0.640  -0.149   0.177  1.00  0.00           H  
HETATM  111  H   UNL     1       2.274  -0.724  -0.232  1.00  0.00           H  
HETATM  112  H   UNL     1       1.424  -2.980  -0.659  1.00  0.00           H  
HETATM  113  H   UNL     1       0.451  -1.818  -1.599  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.285  -3.716  -3.003  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.297  -4.455  -1.720  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.826  -2.803  -1.232  1.00  0.00           H  
HETATM  117  H   UNL     1      -7.820  -4.832  -1.908  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.319  -5.772  -1.615  1.00  0.00           H  
HETATM  119  H   UNL     1      -8.438  -4.878   0.362  1.00  0.00           H  
HETATM  120  H   UNL     1      -7.437  -6.360   0.377  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.359  -4.818   2.018  1.00  0.00           H  
CONECT    1   18   17   65   66                                       
CONECT    2   20   20   19   67                                       
CONECT    3   20   21   21   68                                       
CONECT    4   22   22   23   13                                       
CONECT    5   58    6   23   69                                       
CONECT    6    5    7    7   70                                       
CONECT    7    6    6   24   71                                       
CONECT    8   26   27   72   73                                       
CONECT    9   10   74   75   76                                       
CONECT   10   12   11    9   77                                       
CONECT   11   10   78   79   80                                       
CONECT   12   13   10   81   82                                       
CONECT   13    4   12   14   83                                       
CONECT   14   15   13   84                                            
CONECT   15   16   16   14   17                                       
CONECT   16   15   15                                                 
CONECT   17   15    1                                                 
CONECT   18   19   19   21    1                                       
CONECT   19    2   18   18   85                                       
CONECT   20    2    2    3   86                                       
CONECT   21    3    3   18   87                                       
CONECT   22    4    4                                                 
CONECT   23    5    4   88                                            
CONECT   24    7   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   57    8                                            
CONECT   27    8   28   89   90                                       
CONECT   28   56   29   27                                            
CONECT   29   28   30   91   92                                       
CONECT   30   29   55   31   93                                       
CONECT   31   30   32   94   95                                       
CONECT   32   31   33   96   97                                       
CONECT   33   54   32   34                                            
CONECT   34   35   33   52   52                                       
CONECT   35   36   36   34   98                                       
CONECT   36   37   35   35   50                                       
CONECT   37   38   38   39   36                                       
CONECT   38   37   37                                                 
CONECT   39   40   37   48                                            
CONECT   40   41   39   46   99                                       
CONECT   41   40   42  100  101                                       
CONECT   42   41   43  102  103                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   46   43  104                                            
CONECT   46   40   47   47   45                                       
CONECT   47   46   46                                                 
CONECT   48   39   50   49   49                                       
CONECT   49   48   48                                                 
CONECT   50   36   48   51   51                                       
CONECT   51   50   50   52  105                                       
CONECT   52   34   34   51   53                                       
CONECT   53   52                                                      
CONECT   54   55   33  106  107                                       
CONECT   55   30   54  108  109                                       
CONECT   56   57   28  110  111                                       
CONECT   57   26   56  112  113                                       
CONECT   58   59    5  114  115                                       
CONECT   59   60   58   63  116                                       
CONECT   60   61   59  117  118                                       
CONECT   61   60   62  119  120                                       
CONECT   62   61   63  121                                            
CONECT   63   62   59   64   64                                       
CONECT   64   63   63                                                 
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    2                                                      
CONECT   68    3                                                      
CONECT   69    5                                                      
CONECT   70    6                                                      
CONECT   71    7                                                      
CONECT   72    8                                                      
CONECT   73    8                                                      
CONECT   74    9                                                      
CONECT   75    9                                                      
CONECT   76    9                                                      
CONECT   77   10                                                      
CONECT   78   11                                                      
CONECT   79   11                                                      
CONECT   80   11                                                      
CONECT   81   12                                                      
CONECT   82   12                                                      
CONECT   83   13                                                      
CONECT   84   14                                                      
CONECT   85   19                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   23                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   31                                                      
CONECT   96   32                                                      
CONECT   97   32                                                      
CONECT   98   35                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   45                                                      
CONECT  105   51                                                      
CONECT  106   54                                                      
CONECT  107   54                                                      
CONECT  108   55                                                      
CONECT  109   55                                                      
CONECT  110   56                                                      
CONECT  111   56                                                      
CONECT  112   57                                                      
CONECT  113   57                                                      
CONECT  114   58                                                      
CONECT  115   58                                                      
CONECT  116   59                                                      
CONECT  117   60                                                      
CONECT  118   60                                                      
CONECT  119   61                                                      
CONECT  120   61                                                      
CONECT  121   62                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
