COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.705   0.636  -1.266  1.00  0.00           O  
HETATM    2  O   UNL     1       1.793   1.918   4.186  1.00  0.00           O  
HETATM    3  O   UNL     1       0.583   0.045   5.545  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.223  -1.993   5.885  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.511  -1.193   0.882  1.00  0.00           O  
HETATM    6  O   UNL     1      -1.518   0.718   0.011  1.00  0.00           O  
HETATM    7  O   UNL     1      -1.147  -0.165  -6.473  1.00  0.00           O  
HETATM    8  O   UNL     1       1.534   0.075  -7.103  1.00  0.00           O  
HETATM    9  O   UNL     1       0.294  -1.032  -2.127  1.00  0.00           O  
HETATM   10  N   UNL     1       2.972  -0.481  -2.662  1.00  0.00           N  
HETATM   11  N   UNL     1       0.278  -0.809   7.694  1.00  0.00           N  
HETATM   12  C   UNL     1       2.657  -0.107  -1.422  1.00  0.00           C  
HETATM   13  C   UNL     1       3.358  -0.522  -0.215  1.00  0.00           C  
HETATM   14  C   UNL     1       2.863  -0.088   0.967  1.00  0.00           C  
HETATM   15  C   UNL     1       3.461  -0.420   2.250  1.00  0.00           C  
HETATM   16  C   UNL     1       2.883  -0.052   3.397  1.00  0.00           C  
HETATM   17  C   UNL     1       1.591   0.717   3.433  1.00  0.00           C  
HETATM   18  C   UNL     1       0.495  -0.112   4.105  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.865   0.346   3.633  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.551  -0.419   2.826  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.913  -0.062   2.300  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.142  -0.791   0.968  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.814   0.152  -0.191  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.838  -0.635  -1.503  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.217   0.183  -2.633  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.927  -0.723  -3.835  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.489  -0.547  -4.256  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.175  -0.282  -5.541  1.00  0.00           C  
HETATM   29  C   UNL     1       1.249  -0.121  -5.937  1.00  0.00           C  
HETATM   30  C   UNL     1       2.305  -0.196  -4.927  1.00  0.00           C  
HETATM   31  C   UNL     1       1.994  -0.431  -3.639  1.00  0.00           C  
HETATM   32  C   UNL     1       0.577  -0.683  -3.256  1.00  0.00           C  
HETATM   33  C   UNL     1       4.576  -1.397  -0.285  1.00  0.00           C  
HETATM   34  C   UNL     1       2.211   2.922   3.259  1.00  0.00           C  
HETATM   35  C   UNL     1       0.197  -0.956   6.357  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.404   1.671   4.106  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.986  -0.517   3.296  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.690   2.135   0.060  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.196   1.280  -3.064  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.151   1.199  -6.897  1.00  0.00           C  
HETATM   41  H   UNL     1      -4.677  -1.782   1.630  1.00  0.00           H  
HETATM   42  H   UNL     1       3.876  -0.780  -2.892  1.00  0.00           H  
HETATM   43  H   UNL     1       0.000  -1.531   8.280  1.00  0.00           H  
HETATM   44  H   UNL     1       0.614   0.018   8.072  1.00  0.00           H  
HETATM   45  H   UNL     1       1.976   0.540   0.928  1.00  0.00           H  
HETATM   46  H   UNL     1       4.393  -0.971   2.303  1.00  0.00           H  
HETATM   47  H   UNL     1       3.367  -0.318   4.330  1.00  0.00           H  
HETATM   48  H   UNL     1       1.276   0.980   2.428  1.00  0.00           H  
HETATM   49  H   UNL     1       0.629  -1.163   3.846  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.110  -1.368   2.521  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.998   1.008   2.135  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.500  -1.668   0.921  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.558   0.947  -0.225  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.274  -1.561  -1.376  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.870  -0.879  -1.760  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.290   0.641  -2.295  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.103  -1.762  -3.555  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.591  -0.454  -4.657  1.00  0.00           H  
HETATM   59  H   UNL     1       3.339  -0.065  -5.215  1.00  0.00           H  
HETATM   60  H   UNL     1       4.944  -1.588   0.722  1.00  0.00           H  
HETATM   61  H   UNL     1       4.317  -2.342  -0.763  1.00  0.00           H  
HETATM   62  H   UNL     1       5.350  -0.897  -0.866  1.00  0.00           H  
HETATM   63  H   UNL     1       2.378   3.860   3.789  1.00  0.00           H  
HETATM   64  H   UNL     1       3.136   2.608   2.776  1.00  0.00           H  
HETATM   65  H   UNL     1       1.437   3.064   2.504  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.389   1.839   3.670  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.485   1.664   5.193  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.729   2.469   3.797  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.827  -0.020   4.253  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.972  -0.256   2.911  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.922  -1.596   3.431  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.741   2.608   0.311  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.029   2.494  -0.911  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.432   2.385   0.818  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.754   1.865  -3.870  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.123   0.823  -3.411  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.407   1.931  -2.216  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.887   1.331  -7.689  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.405   1.840  -6.053  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.162   1.465  -7.271  1.00  0.00           H  
CONECT    1   12   12                                                 
CONECT    2   17   34                                                 
CONECT    3   18   35                                                 
CONECT    4   35   35                                                 
CONECT    5   22   41                                                 
CONECT    6   23   38                                                 
CONECT    7   28   40                                                 
CONECT    8   29   29                                                 
CONECT    9   32   32                                                 
CONECT   10   12   31   42                                            
CONECT   11   35   43   44                                            
CONECT   12    1    1   10   13                                       
CONECT   13   12   14   14   33                                       
CONECT   14   13   13   15   45                                       
CONECT   15   14   16   16   46                                       
CONECT   16   15   15   17   47                                       
CONECT   17    2   16   18   48                                       
CONECT   18    3   17   19   49                                       
CONECT   19   18   20   20   36                                       
CONECT   20   19   19   21   50                                       
CONECT   21   20   22   37   51                                       
CONECT   22    5   21   23   52                                       
CONECT   23    6   22   24   53                                       
CONECT   24   23   25   54   55                                       
CONECT   25   24   26   39   56                                       
CONECT   26   25   27   57   58                                       
CONECT   27   26   28   28   32                                       
CONECT   28    7   27   27   29                                       
CONECT   29    8    8   28   30                                       
CONECT   30   29   31   31   59                                       
CONECT   31   10   30   30   32                                       
CONECT   32    9    9   27   31                                       
CONECT   33   13   60   61   62                                       
CONECT   34    2   63   64   65                                       
CONECT   35    3    4    4   11                                       
CONECT   36   19   66   67   68                                       
CONECT   37   21   69   70   71                                       
CONECT   38    6   72   73   74                                       
CONECT   39   25   75   76   77                                       
CONECT   40    7   78   79   80                                       
CONECT   41    5                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   30                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
