COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.749  -0.390  -0.954  1.00  0.00           C  
HETATM    2  C   UNL     1       5.580   0.864  -0.857  1.00  0.00           C  
HETATM    3  C   UNL     1       6.950  -4.559  -1.808  1.00  0.00           C  
HETATM    4  C   UNL     1       5.444  -1.511  -0.226  1.00  0.00           C  
HETATM    5  C   UNL     1       5.852  -2.674  -0.769  1.00  0.00           C  
HETATM    6  C   UNL     1       5.900  -3.453  -2.065  1.00  0.00           C  
HETATM    7  C   UNL     1       6.499  -6.007   0.384  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.141  -0.499   0.018  1.00  0.00           C  
HETATM    9  O   UNL     1       6.633   0.848  -0.256  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.801  -1.387  -1.005  1.00  0.00           C  
HETATM   11  C   UNL     1       5.919   3.158  -1.348  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.564   0.862  -1.648  1.00  0.00           C  
HETATM   13  C   UNL     1       7.650   4.428  -0.746  1.00  0.00           C  
HETATM   14  C   UNL     1       1.250  -0.284  -0.019  1.00  0.00           C  
HETATM   15  C   UNL     1       1.857   0.595   0.993  1.00  0.00           C  
HETATM   16  C   UNL     1       3.212   0.624   0.722  1.00  0.00           C  
HETATM   17  C   UNL     1       1.029   1.195   1.968  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.886  -0.500   1.102  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.667   0.115   2.085  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.028  -0.101   2.115  1.00  0.00           C  
HETATM   21  C   UNL     1       6.902  -4.692  -0.275  1.00  0.00           C  
HETATM   22  N   UNL     1       6.431  -3.402   0.235  1.00  0.00           N  
HETATM   23  C   UNL     1       6.357  -2.653   1.360  1.00  0.00           C  
HETATM   24  N   UNL     1       5.766  -1.526   1.075  1.00  0.00           N  
HETATM   25  C   UNL     1       7.946  -5.515   0.473  1.00  0.00           C  
HETATM   26  N   UNL     1       3.436  -0.154  -0.347  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.897   0.117   0.998  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.302   0.958   1.961  1.00  0.00           C  
HETATM   29  C   UNL     1       1.629   2.099   3.015  1.00  0.00           C  
HETATM   30  F   UNL     1       2.761   2.732   2.491  1.00  0.00           F  
HETATM   31  F   UNL     1       0.689   3.062   3.394  1.00  0.00           F  
HETATM   32  C   UNL     1      -2.312  -0.102   1.035  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.472  -0.281   1.065  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.622  -0.924   1.174  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.857  -1.536   0.198  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.493  -1.334   0.158  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.111  -1.156   1.214  1.00  0.00           C  
HETATM   38  N   UNL     1       2.232  -0.707  -0.796  1.00  0.00           N  
HETATM   39  N   UNL     1       5.152   2.002  -1.437  1.00  0.00           N  
HETATM   40  S   UNL     1       5.499   4.667  -2.034  1.00  0.00           S  
HETATM   41  C   UNL     1       6.984   5.378  -1.406  1.00  0.00           C  
HETATM   42  N   UNL     1       7.053   3.251  -0.727  1.00  0.00           N  
HETATM   43  C   UNL     1     -11.241  -0.185   0.595  1.00  0.00           C  
HETATM   44  C   UNL     1     -11.896   0.975  -0.158  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.043   0.861  -1.826  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.441  -0.296  -1.024  1.00  0.00           C  
HETATM   47  N   UNL     1      -9.787  -0.141   0.395  1.00  0.00           N  
HETATM   48  C   UNL     1     -12.144  -0.441  -2.204  1.00  0.00           C  
HETATM   49  O   UNL     1     -11.936  -0.491  -3.617  1.00  0.00           O  
HETATM   50  H   UNL     1       4.621  -0.660  -2.002  1.00  0.00           H  
HETATM   51  H   UNL     1       6.659  -5.492  -2.289  1.00  0.00           H  
HETATM   52  H   UNL     1       7.939  -4.243  -2.141  1.00  0.00           H  
HETATM   53  H   UNL     1       6.218  -2.809  -2.885  1.00  0.00           H  
HETATM   54  H   UNL     1       4.927  -3.894  -2.281  1.00  0.00           H  
HETATM   55  H   UNL     1       5.891  -5.951   1.287  1.00  0.00           H  
HETATM   56  H   UNL     1       6.295  -6.856  -0.269  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.097  -0.790  -1.868  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.100  -2.160  -1.322  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.683  -1.854  -0.567  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.994   1.709  -2.183  1.00  0.00           H  
HETATM   61  H   UNL     1       8.599   4.609  -0.264  1.00  0.00           H  
HETATM   62  H   UNL     1       3.958   1.176   1.275  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.204   0.757   2.820  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.633   0.373   2.874  1.00  0.00           H  
HETATM   65  H   UNL     1       6.727  -2.941   2.333  1.00  0.00           H  
HETATM   66  H   UNL     1       8.290  -5.135   1.435  1.00  0.00           H  
HETATM   67  H   UNL     1       8.694  -6.040  -0.121  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.924   1.422   2.712  1.00  0.00           H  
HETATM   69  H   UNL     1       1.914   1.507   3.885  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.327  -2.177  -0.533  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.896  -1.811  -0.605  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.335  -2.148   0.822  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.462  -1.084   2.244  1.00  0.00           H  
HETATM   74  H   UNL     1       4.310   2.015  -1.918  1.00  0.00           H  
HETATM   75  H   UNL     1       7.301   6.402  -1.536  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.463  -0.099   1.659  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.631  -1.130   0.218  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.517   1.921   0.228  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.977   0.933  -0.022  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.800   0.737  -2.881  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.634   1.805  -1.466  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.840  -1.240  -1.394  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.357  -0.290  -1.137  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.648  -1.289  -1.733  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.213  -0.482  -1.993  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.279  -1.291  -4.037  1.00  0.00           H  
CONECT    1   26    4    2   50                                       
CONECT    2    1   39    9    9                                       
CONECT    3   21    6   51   52                                       
CONECT    4   24    1    5    5                                       
CONECT    5    4    4   22    6                                       
CONECT    6    5    3   53   54                                       
CONECT    7   21   25   55   56                                       
CONECT    8   10   27   27   14                                       
CONECT    9    2    2                                                 
CONECT   10    8   57   58   59                                       
CONECT   11   39   42   42   40                                       
CONECT   12   44   48   45   60                                       
CONECT   13   42   41   41   61                                       
CONECT   14    8   38   38   15                                       
CONECT   15   14   17   16   16                                       
CONECT   16   26   15   15   62                                       
CONECT   17   28   28   15   29                                       
CONECT   18   36   36   19   33                                       
CONECT   19   20   20   18   63                                       
CONECT   20   34   19   19   64                                       
CONECT   21   22    7   25    3                                       
CONECT   22   23    5   21                                            
CONECT   23   24   24   22   65                                       
CONECT   24   23   23    4                                            
CONECT   25    7   21   66   67                                       
CONECT   26   38    1   16                                            
CONECT   27   32    8    8   28                                       
CONECT   28   27   17   17   68                                       
CONECT   29   17   30   31   69                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   33   33   33   27                                       
CONECT   33   18   32   32   32                                       
CONECT   34   37   35   35   20                                       
CONECT   35   34   34   36   70                                       
CONECT   36   35   18   18   71                                       
CONECT   37   47   34   72   73                                       
CONECT   38   14   14   26                                            
CONECT   39    2   11   74                                            
CONECT   40   11   41                                                 
CONECT   41   13   13   40   75                                       
CONECT   42   11   11   13                                            
CONECT   43   44   47   76   77                                       
CONECT   44   12   43   78   79                                       
CONECT   45   12   46   80   81                                       
CONECT   46   45   47   82   83                                       
CONECT   47   43   46   37                                            
CONECT   48   49   12   84   85                                       
CONECT   49   48   86                                                 
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   16                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
CONECT   82   46                                                      
CONECT   83   46                                                      
CONECT   84   48                                                      
CONECT   85   48                                                      
CONECT   86   49                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
