COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.826   1.331  -0.665  1.00  0.00           C  
HETATM    2  O   UNL     1       1.738   1.970  -1.153  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.102   0.165   1.992  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.629  -1.051   2.375  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.600  -1.662   1.602  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.172  -2.990   2.027  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.111  -1.727  -0.393  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.537   0.163   0.053  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.591   2.220   0.029  1.00  0.00           C  
HETATM   10  C   UNL     1       9.236   2.866   1.694  1.00  0.00           C  
HETATM   11  C   UNL     1      10.329   2.549  -0.413  1.00  0.00           C  
HETATM   12  C   UNL     1       9.314   1.468  -0.791  1.00  0.00           C  
HETATM   13  C   UNL     1       2.642  -1.122  -1.842  1.00  0.00           C  
HETATM   14  C   UNL     1       1.330  -1.724  -2.442  1.00  0.00           C  
HETATM   15  C   UNL     1       1.884  -3.993   0.273  1.00  0.00           C  
HETATM   16  C   UNL     1       1.382  -3.967   1.560  1.00  0.00           C  
HETATM   17  C   UNL     1       2.246  -3.977   2.639  1.00  0.00           C  
HETATM   18  C   UNL     1       3.612  -4.013   2.430  1.00  0.00           C  
HETATM   19  C   UNL     1       4.114  -4.039   1.143  1.00  0.00           C  
HETATM   20  C   UNL     1       3.250  -4.028   0.064  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.610  -1.634  -0.901  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.102  -0.799   0.181  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.490   1.965  -0.458  1.00  0.00           C  
HETATM   24  N   UNL     1       1.015   0.042  -0.320  1.00  0.00           N  
HETATM   25  C   UNL     1       2.293  -0.573  -0.420  1.00  0.00           C  
HETATM   26  C   UNL     1       3.340   0.437  -0.029  1.00  0.00           C  
HETATM   27  N   UNL     1       4.628   0.241  -0.374  1.00  0.00           N  
HETATM   28  C   UNL     1       5.647   1.223   0.007  1.00  0.00           C  
HETATM   29  C   UNL     1       7.014   0.764  -0.503  1.00  0.00           C  
HETATM   30  N   UNL     1       8.035   1.748  -0.122  1.00  0.00           N  
HETATM   31  C   UNL     1       8.209   1.788   1.337  1.00  0.00           C  
HETATM   32  O   UNL     1      10.462   2.595   1.010  1.00  0.00           O  
HETATM   33  O   UNL     1       3.024   1.427   0.597  1.00  0.00           O  
HETATM   34  N   UNL     1       0.507  -2.405  -1.505  1.00  0.00           N  
HETATM   35  S   UNL     1       0.782  -3.988  -1.103  1.00  0.00           S  
HETATM   36  O   UNL     1       1.496  -4.560  -2.190  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.454  -4.502  -0.628  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.784   3.283  -0.652  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.103   3.448  -0.349  1.00  0.00           N  
HETATM   40  C   UNL     1      -2.917   4.539  -0.365  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.240   4.446  -0.008  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.091   5.650  -0.038  1.00  0.00           C  
HETATM   43  O   UNL     1      -6.389   5.567   0.311  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.621   6.718  -0.379  1.00  0.00           O  
HETATM   45  C   UNL     1      -4.794   3.206   0.389  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.000   2.093   0.415  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.553   0.781   0.825  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.049  -1.058   0.441  1.00  0.00           C  
HETATM   49  F   UNL     1      -8.264  -1.907   0.379  1.00  0.00           F  
HETATM   50  F   UNL     1      -7.411  -0.924  -1.498  1.00  0.00           F  
HETATM   51  F   UNL     1      -6.645  -2.970  -0.832  1.00  0.00           F  
HETATM   52  N   UNL     1      -1.612   1.341  -0.046  1.00  0.00           N  
HETATM   53  H   UNL     1      -3.343   0.641   2.596  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.283  -1.527   3.281  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.041  -2.824   2.663  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.471  -3.556   1.144  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.418  -3.550   2.579  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.898   0.640  -0.846  1.00  0.00           H  
HETATM   59  H   UNL     1       8.859   3.843   1.391  1.00  0.00           H  
HETATM   60  H   UNL     1       9.410   2.861   2.770  1.00  0.00           H  
HETATM   61  H   UNL     1      11.295   2.315  -0.862  1.00  0.00           H  
HETATM   62  H   UNL     1       9.984   3.517  -0.778  1.00  0.00           H  
HETATM   63  H   UNL     1       9.166   1.469  -1.872  1.00  0.00           H  
HETATM   64  H   UNL     1       9.684   0.493  -0.475  1.00  0.00           H  
HETATM   65  H   UNL     1       3.404  -1.898  -1.763  1.00  0.00           H  
HETATM   66  H   UNL     1       3.002  -0.311  -2.475  1.00  0.00           H  
HETATM   67  H   UNL     1       0.750  -0.914  -2.885  1.00  0.00           H  
HETATM   68  H   UNL     1       1.601  -2.422  -3.234  1.00  0.00           H  
HETATM   69  H   UNL     1       0.315  -3.939   1.724  1.00  0.00           H  
HETATM   70  H   UNL     1       1.854  -3.956   3.645  1.00  0.00           H  
HETATM   71  H   UNL     1       4.287  -4.020   3.273  1.00  0.00           H  
HETATM   72  H   UNL     1       5.181  -4.067   0.979  1.00  0.00           H  
HETATM   73  H   UNL     1       3.642  -4.048  -0.942  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.356  -2.325  -0.507  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.068  -1.003  -1.662  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.902  -0.157   0.550  1.00  0.00           H  
HETATM   77  H   UNL     1       0.258  -1.433   0.991  1.00  0.00           H  
HETATM   78  H   UNL     1       2.334  -1.400   0.289  1.00  0.00           H  
HETATM   79  H   UNL     1       4.881  -0.551  -0.874  1.00  0.00           H  
HETATM   80  H   UNL     1       5.401   2.190  -0.432  1.00  0.00           H  
HETATM   81  H   UNL     1       5.676   1.314   1.093  1.00  0.00           H  
HETATM   82  H   UNL     1       7.260  -0.203  -0.064  1.00  0.00           H  
HETATM   83  H   UNL     1       6.985   0.673  -1.589  1.00  0.00           H  
HETATM   84  H   UNL     1       8.562   0.818   1.688  1.00  0.00           H  
HETATM   85  H   UNL     1       7.256   2.022   1.811  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.100   4.051  -0.982  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.514   5.495  -0.665  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.907   6.383   0.275  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.835   3.140   0.669  1.00  0.00           H  
CONECT    1   24    2    2   23                                       
CONECT    2    1    1                                                 
CONECT    3   47   47    4   53                                       
CONECT    4    5    5    3   54                                       
CONECT    5   48    6    4    4                                       
CONECT    6    5   55   56   57                                       
CONECT    7   51   49   48   50                                       
CONECT    8   48   48   47   58                                       
CONECT    9   52   52   39   46                                       
CONECT   10   32   31   59   60                                       
CONECT   11   32   12   61   62                                       
CONECT   12   11   30   63   64                                       
CONECT   13   25   14   65   66                                       
CONECT   14   13   34   67   68                                       
CONECT   15   35   16   16   20                                       
CONECT   16   15   15   17   69                                       
CONECT   17   16   18   18   70                                       
CONECT   18   17   17   19   71                                       
CONECT   19   20   20   18   72                                       
CONECT   20   15   19   19   73                                       
CONECT   21   34   22   74   75                                       
CONECT   22   24   21   76   77                                       
CONECT   23    1   38   38   52                                       
CONECT   24   25   22    1                                            
CONECT   25   26   13   24   78                                       
CONECT   26   27   33   33   25                                       
CONECT   27   28   26   79                                            
CONECT   28   29   27   80   81                                       
CONECT   29   30   28   82   83                                       
CONECT   30   12   31   29                                            
CONECT   31   10   30   84   85                                       
CONECT   32   11   10                                                 
CONECT   33   26   26                                                 
CONECT   34   14   35   21                                            
CONECT   35   37   37   36   36                                       
CONECT   35   34   15                                                 
CONECT   36   35   35                                                 
CONECT   37   35   35                                                 
CONECT   38   23   23   39   86                                       
CONECT   39   38    9   40                                            
CONECT   40   39   41   41   87                                       
CONECT   41   40   40   45   42                                       
CONECT   42   41   44   44   43                                       
CONECT   43   42   88                                                 
CONECT   44   42   42                                                 
CONECT   45   46   46   41   89                                       
CONECT   46    9   47   45   45                                       
CONECT   47    8   46    3    3                                       
CONECT   48    7    8    8    5                                       
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52   23    9    9                                            
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   25                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   38                                                      
CONECT   87   40                                                      
CONECT   88   43                                                      
CONECT   89   45                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
