COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.825   0.566   0.100  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.909   0.763  -0.038  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.932  -0.036  -0.511  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.146  -0.378   0.307  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.757   1.395   0.949  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.008   0.764   1.830  1.00  0.00           C  
HETATM    7  C   UNL     1       5.349   3.113  -1.330  1.00  0.00           C  
HETATM    8  C   UNL     1       5.416   1.844  -0.478  1.00  0.00           C  
HETATM    9  C   UNL     1       5.179   2.202   0.990  1.00  0.00           C  
HETATM   10  C   UNL     1       6.796   1.199  -0.630  1.00  0.00           C  
HETATM   11  C   UNL     1       8.420   0.961  -2.378  1.00  0.00           C  
HETATM   12  C   UNL     1       6.835  -0.102   0.177  1.00  0.00           C  
HETATM   13  C   UNL     1       7.244  -0.633   2.468  1.00  0.00           C  
HETATM   14  C   UNL     1       5.708  -1.022  -0.302  1.00  0.00           C  
HETATM   15  C   UNL     1       4.370  -0.291  -0.162  1.00  0.00           C  
HETATM   16  C   UNL     1       2.049  -0.664  -0.513  1.00  0.00           C  
HETATM   17  C   UNL     1       0.553   1.037   0.259  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.530   0.280  -0.197  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.605   0.000   0.339  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.237   1.778   0.983  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.856  -0.631   1.220  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.375  -1.014   1.187  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.795   1.781  -0.442  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.643   0.387  -1.052  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.414  -0.627  -0.205  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.163   0.003  -1.085  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.625  -1.268  -1.119  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.312  -0.962  -0.817  1.00  0.00           C  
HETATM   29  C   UNL     1       0.987  -1.423  -0.975  1.00  0.00           C  
HETATM   30  C   UNL     1       1.241  -2.753  -1.639  1.00  0.00           C  
HETATM   31  N   UNL     1       7.115  -0.413   3.791  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.270   0.377  -0.385  1.00  0.00           N  
HETATM   33  O   UNL     1       7.040   0.912  -2.009  1.00  0.00           O  
HETATM   34  O   UNL     1       6.653   0.196   1.587  1.00  0.00           O  
HETATM   35  O   UNL     1       7.895  -1.579   2.070  1.00  0.00           O  
HETATM   36  O   UNL     1       5.690  -2.209   0.493  1.00  0.00           O  
HETATM   37  O   UNL     1       3.319  -1.122  -0.660  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.168   1.954   0.552  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.761  -1.362   0.903  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.359  -1.692  -1.256  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.533  -1.968  -1.534  1.00  0.00           O  
HETATM   42  O   UNL     1       4.412   0.924  -0.912  1.00  0.00           O  
HETATM   43  H   UNL     1       2.661   1.149   0.456  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.359   1.393   1.964  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.207   2.117   0.346  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.611   0.762   2.845  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.063   1.038   1.854  1.00  0.00           H  
HETATM   48  H   UNL     1       5.517   2.857  -2.376  1.00  0.00           H  
HETATM   49  H   UNL     1       4.366   3.572  -1.222  1.00  0.00           H  
HETATM   50  H   UNL     1       6.116   3.813  -1.000  1.00  0.00           H  
HETATM   51  H   UNL     1       6.039   2.753   1.373  1.00  0.00           H  
HETATM   52  H   UNL     1       4.285   2.819   1.074  1.00  0.00           H  
HETATM   53  H   UNL     1       5.046   1.289   1.570  1.00  0.00           H  
HETATM   54  H   UNL     1       7.560   1.882  -0.259  1.00  0.00           H  
HETATM   55  H   UNL     1       8.978   0.230  -1.794  1.00  0.00           H  
HETATM   56  H   UNL     1       8.521   0.733  -3.439  1.00  0.00           H  
HETATM   57  H   UNL     1       8.813   1.959  -2.182  1.00  0.00           H  
HETATM   58  H   UNL     1       7.796  -0.594   0.030  1.00  0.00           H  
HETATM   59  H   UNL     1       5.872  -1.285  -1.347  1.00  0.00           H  
HETATM   60  H   UNL     1       4.187  -0.064   0.888  1.00  0.00           H  
HETATM   61  H   UNL     1       0.384   1.992   0.736  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.346   2.772   1.417  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.405  -1.353   1.824  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.267  -2.008   0.752  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.978  -1.016   2.202  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.850   2.055  -0.419  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.246   2.504  -1.046  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.041   0.389  -2.067  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.306  -1.621  -0.640  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.469  -0.354  -0.181  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.614   0.726  -1.689  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.054  -0.991  -1.520  1.00  0.00           H  
HETATM   73  H   UNL     1       1.239  -3.541  -0.886  1.00  0.00           H  
HETATM   74  H   UNL     1       0.458  -2.949  -2.371  1.00  0.00           H  
HETATM   75  H   UNL     1       2.209  -2.730  -2.139  1.00  0.00           H  
HETATM   76  H   UNL     1       7.541  -1.010   4.426  1.00  0.00           H  
HETATM   77  H   UNL     1       6.596   0.342   4.109  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.562   1.206  -0.795  1.00  0.00           H  
HETATM   79  H   UNL     1       4.999  -2.839   0.244  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.109   2.170   0.603  1.00  0.00           H  
CONECT    1   17   17   16   43                                       
CONECT    2   38   18    3    3                                       
CONECT    3    2    2   32   27                                       
CONECT    4   39   39   19   32                                       
CONECT    5   19   20   44   45                                       
CONECT    6   21   20   46   47                                       
CONECT    7    8   48   49   50                                       
CONECT    8   42    9   10    7                                       
CONECT    9    8   51   52   53                                       
CONECT   10    8   12   33   54                                       
CONECT   11   33   55   56   57                                       
CONECT   12   14   10   34   58                                       
CONECT   13   34   35   35   31                                       
CONECT   14   36   15   12   59                                       
CONECT   15   42   14   37   60                                       
CONECT   16    1   37   29   29                                       
CONECT   17    1    1   18   61                                       
CONECT   18   17    2   28   28                                       
CONECT   19   26    4   22    5                                       
CONECT   20   23    5    6   62                                       
CONECT   21   25   22    6   63                                       
CONECT   22   19   21   64   65                                       
CONECT   23   24   20   66   67                                       
CONECT   24   26   25   23   68                                       
CONECT   25   24   21   69   70                                       
CONECT   26   24   19   71   72                                       
CONECT   27    3   40   41   41                                       
CONECT   28   18   18   29   40                                       
CONECT   29   16   16   28   30                                       
CONECT   30   29   73   74   75                                       
CONECT   31   13   76   77                                            
CONECT   32    4    3   78                                            
CONECT   33   10   11                                                 
CONECT   34   12   13                                                 
CONECT   35   13   13                                                 
CONECT   36   14   79                                                 
CONECT   37   15   16                                                 
CONECT   38    2   80                                                 
CONECT   39    4    4                                                 
CONECT   40   28   27                                                 
CONECT   41   27   27                                                 
CONECT   42   15    8                                                 
CONECT   43    1                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   36                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
