COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.246   2.200   0.466  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.246   3.132  -0.223  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.819   0.169   0.181  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.221  -1.224   0.143  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.487  -1.000  -0.748  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.488  -1.931  -0.059  1.00  0.00           C  
HETATM    7  N   UNL     1       2.640   0.532   1.123  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.254  -3.144  -0.922  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.386  -1.606   1.130  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.107  -0.892   1.334  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.241  -1.285   2.355  1.00  0.00           C  
HETATM   12  N   UNL     1       5.951  -1.018  -1.032  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.049  -0.615   2.540  1.00  0.00           C  
HETATM   14  C   UNL     1       0.288   0.444   1.715  1.00  0.00           C  
HETATM   15  C   UNL     1       1.592   1.170   1.923  1.00  0.00           C  
HETATM   16  N   UNL     1       6.897  -0.097  -0.572  1.00  0.00           N  
HETATM   17  O   UNL     1      -3.685  -2.536   1.852  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.139  -3.394  -1.329  1.00  0.00           O  
HETATM   19  N   UNL     1      -6.285  -3.952  -1.243  1.00  0.00           N  
HETATM   20  C   UNL     1      -7.819   1.101  -0.508  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.162   1.734  -1.736  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.161   2.666  -2.425  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.589   3.765  -1.451  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.759   0.173   0.502  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.566   0.838   0.701  1.00  0.00           C  
HETATM   26  C   UNL     1       3.898   1.015   1.151  1.00  0.00           C  
HETATM   27  O   UNL     1       4.163   1.982   1.841  1.00  0.00           O  
HETATM   28  C   UNL     1       4.947   0.375   0.349  1.00  0.00           C  
HETATM   29  C   UNL     1       6.285   0.759   0.276  1.00  0.00           C  
HETATM   30  N   UNL     1       6.872   1.814   0.944  1.00  0.00           N  
HETATM   31  C   UNL     1       4.794  -0.750  -0.496  1.00  0.00           C  
HETATM   32  C   UNL     1       8.252  -0.067  -0.928  1.00  0.00           C  
HETATM   33  C   UNL     1       8.938  -1.252  -1.157  1.00  0.00           C  
HETATM   34  C   UNL     1      10.273  -1.219  -1.508  1.00  0.00           C  
HETATM   35  C   UNL     1      10.927  -0.007  -1.632  1.00  0.00           C  
HETATM   36  C   UNL     1      10.248   1.175  -1.404  1.00  0.00           C  
HETATM   37  C   UNL     1       8.911   1.149  -1.058  1.00  0.00           C  
HETATM   38  H   UNL     1      -7.371   2.772   0.776  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.714   1.749   1.341  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.121   2.560  -0.533  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.550   3.915   0.471  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.256  -0.213   1.104  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.908   0.721   0.411  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.982  -0.481  -0.434  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.399  -1.551  -0.979  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.051  -0.617  -1.671  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.888  -2.243   0.905  1.00  0.00           H  
HETATM   48  H   UNL     1       2.428  -0.239   0.573  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.503  -2.111   3.000  1.00  0.00           H  
HETATM   50  H   UNL     1       0.623  -0.918   3.330  1.00  0.00           H  
HETATM   51  H   UNL     1       1.865   1.132   2.977  1.00  0.00           H  
HETATM   52  H   UNL     1       1.482   2.210   1.614  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.176  -3.752  -0.918  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.134  -4.733  -1.798  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.694   0.529  -0.818  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.287   2.306  -1.426  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.858   0.951  -2.430  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.694   3.117  -3.300  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.036   2.094  -2.735  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.301   4.429  -1.942  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.714   4.337  -1.141  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.425   0.482  -0.290  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.297   1.665   0.061  1.00  0.00           H  
HETATM   64  H   UNL     1       7.817   1.998   0.824  1.00  0.00           H  
HETATM   65  H   UNL     1       6.341   2.371   1.534  1.00  0.00           H  
HETATM   66  H   UNL     1       3.876  -1.292  -0.666  1.00  0.00           H  
HETATM   67  H   UNL     1       8.427  -2.199  -1.061  1.00  0.00           H  
HETATM   68  H   UNL     1      10.807  -2.141  -1.686  1.00  0.00           H  
HETATM   69  H   UNL     1      11.972   0.016  -1.906  1.00  0.00           H  
HETATM   70  H   UNL     1      10.761   2.120  -1.501  1.00  0.00           H  
HETATM   71  H   UNL     1       8.380   2.073  -0.881  1.00  0.00           H  
CONECT    1    2   20   38   39                                       
CONECT    2    1   23   40   41                                       
CONECT    3   20    5   42   43                                       
CONECT    4    9    6   44                                            
CONECT    5    3    6   45   46                                       
CONECT    6    4    5    8   47                                       
CONECT    7   26   15   48                                            
CONECT    8    6   19   18   18                                       
CONECT    9   10   17   17    4                                       
CONECT   10   24   24   11    9                                       
CONECT   11   13   13   10   49                                       
CONECT   12   31   31   16                                            
CONECT   13   14   11   11   50                                       
CONECT   14   15   25   25   13                                       
CONECT   15    7   14   51   52                                       
CONECT   16   12   32   29                                            
CONECT   17    9    9                                                 
CONECT   18    8    8                                                 
CONECT   19    8   53   54                                            
CONECT   20    1    3   21   55                                       
CONECT   21   20   22   56   57                                       
CONECT   22   23   21   58   59                                       
CONECT   23    2   22   60   61                                       
CONECT   24   25   10   10   62                                       
CONECT   25   14   14   24   63                                       
CONECT   26   28    7   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   31   29   29   26                                       
CONECT   29   16   28   28   30                                       
CONECT   30   29   64   65                                            
CONECT   31   12   12   28   66                                       
CONECT   32   37   37   33   16                                       
CONECT   33   34   34   32   67                                       
CONECT   34   35   33   33   68                                       
CONECT   35   36   36   34   69                                       
CONECT   36   35   35   37   70                                       
CONECT   37   36   32   32   71                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
