COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.271  -5.167   1.218  1.00  0.00           C  
HETATM    2  C   UNL     1       0.459  -4.709   2.416  1.00  0.00           C  
HETATM    3  C   UNL     1       0.831  -3.068   4.225  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.417   0.477   4.126  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.129   1.578   3.436  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.098   2.729   3.392  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.311   3.144   1.934  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.495   0.708   1.409  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.017  -4.897  -0.500  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.265  -4.039  -0.707  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.199  -3.327  -2.031  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.429  -3.132  -2.880  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.886  -1.698  -2.773  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.347   0.239  -1.939  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.575   0.302  -3.272  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.261  -4.431   0.720  1.00  0.00           C  
HETATM   17  C   UNL     1       0.111  -6.464   0.554  1.00  0.00           C  
HETATM   18  C   UNL     1       0.119  -3.568   2.994  1.00  0.00           C  
HETATM   19  C   UNL     1       0.468  -0.693   4.011  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.528   3.909   4.182  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.822   2.024   1.014  1.00  0.00           C  
HETATM   22  C   UNL     1       0.696   1.880   1.147  1.00  0.00           C  
HETATM   23  C   UNL     1       2.606   1.430  -0.211  1.00  0.00           C  
HETATM   24  C   UNL     1       4.587   0.952  -1.440  1.00  0.00           C  
HETATM   25  C   UNL     1       5.125   0.074  -2.372  1.00  0.00           C  
HETATM   26  C   UNL     1       6.491  -0.126  -2.421  1.00  0.00           C  
HETATM   27  C   UNL     1       7.322   0.547  -1.544  1.00  0.00           C  
HETATM   28  C   UNL     1       8.811   0.327  -1.600  1.00  0.00           C  
HETATM   29  C   UNL     1       6.788   1.422  -0.615  1.00  0.00           C  
HETATM   30  C   UNL     1       5.424   1.630  -0.565  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.160   3.122   0.442  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.564   3.445   0.004  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.607   4.884  -0.536  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.525   4.739  -2.065  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.753   3.255  -2.366  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.395   1.307  -0.940  1.00  0.00           C  
HETATM   37  F   UNL     1       9.074  -0.973  -2.046  1.00  0.00           F  
HETATM   38  F   UNL     1       9.386   1.248  -2.484  1.00  0.00           F  
HETATM   39  F   UNL     1       9.358   0.502  -0.324  1.00  0.00           F  
HETATM   40  N   UNL     1      -4.965  -1.045  -1.654  1.00  0.00           N  
HETATM   41  N   UNL     1       0.145  -1.835   4.672  1.00  0.00           N  
HETATM   42  N   UNL     1       3.203   1.156  -1.388  1.00  0.00           N  
HETATM   43  N   UNL     1      -4.945   2.554  -1.093  1.00  0.00           N  
HETATM   44  O   UNL     1      -2.404  -6.261  -0.324  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.292  -0.913  -3.779  1.00  0.00           O  
HETATM   46  O   UNL     1      -2.138  -2.901  -2.421  1.00  0.00           O  
HETATM   47  O   UNL     1       1.270   1.587  -0.154  1.00  0.00           O  
HETATM   48  O   UNL     1       3.274   1.535   0.799  1.00  0.00           O  
HETATM   49  O   UNL     1      -2.718   3.396   1.677  1.00  0.00           O  
HETATM   50  O   UNL     1      -5.895   1.031   0.134  1.00  0.00           O  
HETATM   51  O   UNL     1      -2.408   2.598  -0.346  1.00  0.00           O  
HETATM   52  O   UNL     1       1.475  -0.639   3.332  1.00  0.00           O  
HETATM   53  H   UNL     1       1.266  -5.309   2.809  1.00  0.00           H  
HETATM   54  H   UNL     1       0.785  -3.822   5.010  1.00  0.00           H  
HETATM   55  H   UNL     1       1.871  -2.847   3.985  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.291   0.429   4.756  1.00  0.00           H  
HETATM   57  H   UNL     1       0.783   1.619   2.856  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.050   2.422   3.826  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.740   4.050   1.731  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.378   0.548   2.481  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.556   0.754   1.162  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.031  -0.115   0.866  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.373  -4.817  -1.376  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.148  -4.677  -0.686  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.333  -3.302   0.092  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.195  -3.363  -3.919  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.221  -3.795  -2.529  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.919   1.164  -3.824  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.515  -3.491   1.185  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.164  -6.428  -0.500  1.00  0.00           H  
HETATM   71  H   UNL     1       1.187  -6.614   0.643  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.412  -7.288   1.039  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.689  -2.977   2.576  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.226   4.745   4.141  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.377   3.612   5.220  1.00  0.00           H  
HETATM   76  H   UNL     1       0.425   4.210   3.748  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.075   2.265  -0.019  1.00  0.00           H  
HETATM   78  H   UNL     1       1.117   2.811   1.528  1.00  0.00           H  
HETATM   79  H   UNL     1       0.925   1.068   1.837  1.00  0.00           H  
HETATM   80  H   UNL     1       4.477  -0.453  -3.056  1.00  0.00           H  
HETATM   81  H   UNL     1       6.911  -0.809  -3.145  1.00  0.00           H  
HETATM   82  H   UNL     1       7.440   1.950   0.065  1.00  0.00           H  
HETATM   83  H   UNL     1       5.008   2.314   0.161  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.257   3.329   0.834  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.541   5.367  -0.251  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.755   5.453  -0.164  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.299   5.342  -2.540  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.541   5.047  -2.418  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.640   3.138  -2.989  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.884   2.847  -2.882  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.499  -1.842   5.397  1.00  0.00           H  
HETATM   92  H   UNL     1       2.674   1.101  -2.199  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.949  -6.611  -1.042  1.00  0.00           H  
CONECT    1    2   17   16   16                                       
CONECT    2   18   18    1   53                                       
CONECT    3   41   18   54   55                                       
CONECT    4    5    5   19   56                                       
CONECT    5    6    4    4   57                                       
CONECT    6   20    7    5   58                                       
CONECT    7   21    6   49   59                                       
CONECT    8   21   60   61   62                                       
CONECT    9   16   10   44   63                                       
CONECT   10   11    9   64   65                                       
CONECT   11   46   46   12   10                                       
CONECT   12   13   11   66   67                                       
CONECT   13   40   40   45   12                                       
CONECT   14   36   15   15   40                                       
CONECT   15   14   14   45   68                                       
CONECT   16    1    1    9   69                                       
CONECT   17    1   70   71   72                                       
CONECT   18    3    2    2   73                                       
CONECT   19    4   41   52   52                                       
CONECT   20    6   74   75   76                                       
CONECT   21    8   22    7   77                                       
CONECT   22   47   21   78   79                                       
CONECT   23   42   47   48   48                                       
CONECT   24   30   42   25   25                                       
CONECT   25   24   24   26   80                                       
CONECT   26   27   27   25   81                                       
CONECT   27   29   28   26   26                                       
CONECT   28   37   39   27   38                                       
CONECT   29   30   30   27   82                                       
CONECT   30   29   29   24   83                                       
CONECT   31   49   32   51   51                                       
CONECT   32   31   33   43   84                                       
CONECT   33   32   34   85   86                                       
CONECT   34   33   35   87   88                                       
CONECT   35   34   43   89   90                                       
CONECT   36   50   50   43   14                                       
CONECT   37   28                                                      
CONECT   38   28                                                      
CONECT   39   28                                                      
CONECT   40   14   13   13                                            
CONECT   41   19    3   91                                            
CONECT   42   24   23   92                                            
CONECT   43   32   36   35                                            
CONECT   44    9   93                                                 
CONECT   45   15   13                                                 
CONECT   46   11   11                                                 
CONECT   47   23   22                                                 
CONECT   48   23   23                                                 
CONECT   49    7   31                                                 
CONECT   50   36   36                                                 
CONECT   51   31   31                                                 
CONECT   52   19   19                                                 
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   44                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
