COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.953  -1.274   1.377  1.00  0.00           C  
HETATM    2  C   UNL     1      12.212  -2.548   0.569  1.00  0.00           C  
HETATM    3  C   UNL     1      12.500  -2.172  -0.888  1.00  0.00           C  
HETATM    4  O   UNL     1      12.688  -3.361  -1.659  1.00  0.00           O  
HETATM    5  C   UNL     1      11.314  -1.381  -1.446  1.00  0.00           C  
HETATM    6  C   UNL     1      11.081  -0.141  -0.580  1.00  0.00           C  
HETATM    7  N   UNL     1      10.809  -0.553   0.803  1.00  0.00           N  
HETATM    8  C   UNL     1      10.444   0.601   1.634  1.00  0.00           C  
HETATM    9  C   UNL     1       9.101   1.164   1.165  1.00  0.00           C  
HETATM   10  O   UNL     1       8.075   0.193   1.384  1.00  0.00           O  
HETATM   11  C   UNL     1       6.813   0.536   1.018  1.00  0.00           C  
HETATM   12  C   UNL     1       6.569   1.782   0.455  1.00  0.00           C  
HETATM   13  C   UNL     1       5.290   2.134   0.083  1.00  0.00           C  
HETATM   14  C   UNL     1       5.770  -0.362   1.204  1.00  0.00           C  
HETATM   15  C   UNL     1       4.487  -0.017   0.835  1.00  0.00           C  
HETATM   16  C   UNL     1       4.237   1.237   0.273  1.00  0.00           C  
HETATM   17  C   UNL     1       2.864   1.610  -0.124  1.00  0.00           C  
HETATM   18  O   UNL     1       2.510   2.787  -0.679  1.00  0.00           O  
HETATM   19  C   UNL     1       1.771   0.819   0.008  1.00  0.00           C  
HETATM   20  C   UNL     1       0.648   1.595  -0.511  1.00  0.00           C  
HETATM   21  C   UNL     1       1.189   2.824  -0.927  1.00  0.00           C  
HETATM   22  N   UNL     1       0.370   3.732  -1.451  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.917   3.487  -1.574  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.467   2.348  -1.195  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.730   1.375  -0.665  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.306   0.181  -0.275  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.747  -0.028  -0.445  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.124  -1.421   0.063  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.605  -1.636  -0.112  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.089  -2.184  -1.285  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.446  -2.383  -1.447  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.477  -1.288   0.904  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.835  -1.485   0.748  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.325  -2.030  -0.431  1.00  0.00           C  
HETATM   35  N   UNL     1      -8.700  -2.230  -0.593  1.00  0.00           N  
HETATM   36  C   UNL     1      -9.576  -1.355  -0.060  1.00  0.00           C  
HETATM   37  O   UNL     1      -9.175  -0.438   0.630  1.00  0.00           O  
HETATM   38  N   UNL     1     -10.896  -1.496  -0.293  1.00  0.00           N  
HETATM   39  C   UNL     1     -11.795  -0.529   0.172  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.422   0.808   0.209  1.00  0.00           C  
HETATM   41  C   UNL     1     -12.312   1.759   0.668  1.00  0.00           C  
HETATM   42  C   UNL     1     -13.574   1.381   1.089  1.00  0.00           C  
HETATM   43  C   UNL     1     -13.948   0.051   1.053  1.00  0.00           C  
HETATM   44  C   UNL     1     -13.065  -0.905   0.590  1.00  0.00           C  
HETATM   45  H   UNL     1      11.733  -1.539   2.411  1.00  0.00           H  
HETATM   46  H   UNL     1      12.837  -0.637   1.344  1.00  0.00           H  
HETATM   47  H   UNL     1      13.071  -3.075   0.985  1.00  0.00           H  
HETATM   48  H   UNL     1      11.334  -3.191   0.612  1.00  0.00           H  
HETATM   49  H   UNL     1      13.401  -1.561  -0.935  1.00  0.00           H  
HETATM   50  H   UNL     1      12.875  -3.198  -2.593  1.00  0.00           H  
HETATM   51  H   UNL     1      11.531  -1.074  -2.470  1.00  0.00           H  
HETATM   52  H   UNL     1      10.422  -2.006  -1.435  1.00  0.00           H  
HETATM   53  H   UNL     1      11.969   0.490  -0.603  1.00  0.00           H  
HETATM   54  H   UNL     1      10.229   0.417  -0.967  1.00  0.00           H  
HETATM   55  H   UNL     1      10.363   0.289   2.675  1.00  0.00           H  
HETATM   56  H   UNL     1      11.211   1.371   1.545  1.00  0.00           H  
HETATM   57  H   UNL     1       8.870   2.069   1.726  1.00  0.00           H  
HETATM   58  H   UNL     1       9.157   1.399   0.102  1.00  0.00           H  
HETATM   59  H   UNL     1       7.384   2.476   0.309  1.00  0.00           H  
HETATM   60  H   UNL     1       5.101   3.104  -0.354  1.00  0.00           H  
HETATM   61  H   UNL     1       5.964  -1.331   1.638  1.00  0.00           H  
HETATM   62  H   UNL     1       3.677  -0.716   0.979  1.00  0.00           H  
HETATM   63  H   UNL     1       1.738  -0.182   0.414  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.550   4.249  -2.004  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.757  -0.520   0.111  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.292   0.725   0.123  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.004   0.056  -1.500  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.578  -2.175  -0.505  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.866  -1.505   1.119  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.406  -2.458  -2.075  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.824  -2.811  -2.364  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.095  -0.864   1.821  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.515  -1.214   1.542  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.024  -2.999  -1.088  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.222  -2.267  -0.782  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.436   1.103  -0.119  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.022   2.799   0.697  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.268   2.127   1.447  1.00  0.00           H  
HETATM   79  H   UNL     1     -14.936  -0.241   1.379  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.358  -1.944   0.563  1.00  0.00           H  
CONECT    1    2    7   45   46                                       
CONECT    2    3    1   47   48                                       
CONECT    3    4    5    2   49                                       
CONECT    4    3   50                                                 
CONECT    5    3    6   51   52                                       
CONECT    6    5    7   53   54                                       
CONECT    7    6    1    8                                            
CONECT    8    7    9   55   56                                       
CONECT    9    8   10   57   58                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   59                                       
CONECT   13   12   16   16   60                                       
CONECT   14   11   15   15   61                                       
CONECT   15   14   14   16   62                                       
CONECT   16   13   13   15   17                                       
CONECT   17   16   19   19   18                                       
CONECT   18   17   21                                                 
CONECT   19   17   17   20   63                                       
CONECT   20   19   25   21   21                                       
CONECT   21   20   20   18   22                                       
CONECT   22   21   23   23                                            
CONECT   23   24   22   22   64                                       
CONECT   24   25   25   23                                            
CONECT   25   26   20   24   24                                       
CONECT   26   27   25   65                                            
CONECT   27   26   28   66   67                                       
CONECT   28   27   29   68   69                                       
CONECT   29   32   28   30   30                                       
CONECT   30   29   29   31   70                                       
CONECT   31   34   34   30   71                                       
CONECT   32   33   33   29   72                                       
CONECT   33   32   32   34   73                                       
CONECT   34   33   35   31   31                                       
CONECT   35   36   34   74                                            
CONECT   36   37   37   38   35                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   75                                            
CONECT   39   44   38   40   40                                       
CONECT   40   39   39   41   76                                       
CONECT   41   42   42   40   77                                       
CONECT   42   43   41   41   78                                       
CONECT   43   44   44   42   79                                       
CONECT   44   43   43   39   80                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   19                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   35                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
