COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.717  -0.966   0.256  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.498  -1.482   0.116  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.560  -0.693   0.092  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.375   0.699   0.217  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.081   1.197   0.363  1.00  0.00           C  
HETATM    6  N   UNL     1       0.926   0.339   0.377  1.00  0.00           N  
HETATM    7  N   UNL     1       1.802  -1.819   0.284  1.00  0.00           N  
HETATM    8  C   UNL     1       3.102  -1.297   0.314  1.00  0.00           C  
HETATM    9  C   UNL     1       4.103  -1.965   1.007  1.00  0.00           C  
HETATM   10  C   UNL     1       5.384  -1.450   1.037  1.00  0.00           C  
HETATM   11  C   UNL     1       5.671  -0.265   0.373  1.00  0.00           C  
HETATM   12  C   UNL     1       4.671   0.403  -0.321  1.00  0.00           C  
HETATM   13  C   UNL     1       3.391  -0.115  -0.355  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.840  -1.194  -0.053  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.922  -0.357  -0.076  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.772   1.013   0.045  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.553   1.574   0.190  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.312  -2.491  -0.195  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.708  -2.388  -0.302  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.019  -1.069  -0.223  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.703  -3.735  -0.244  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.472  -4.870  -0.398  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.852  -4.775  -0.504  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.473  -3.547  -0.457  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.434   2.780   0.295  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.906   1.834   0.017  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.568   2.147   1.197  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.687   2.956   1.166  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.148   3.455  -0.039  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.491   3.144  -1.216  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.368   2.341  -1.191  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.649   2.009  -2.473  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.067   1.604   2.510  1.00  0.00           C  
HETATM   34  N   UNL     1       6.969   0.257   0.404  1.00  0.00           N  
HETATM   35  C   UNL     1       7.943  -0.724  -0.094  1.00  0.00           C  
HETATM   36  C   UNL     1       9.355  -0.146   0.030  1.00  0.00           C  
HETATM   37  N   UNL     1       9.437   1.107  -0.733  1.00  0.00           N  
HETATM   38  C   UNL     1       8.463   2.088  -0.235  1.00  0.00           C  
HETATM   39  C   UNL     1       7.051   1.510  -0.359  1.00  0.00           C  
HETATM   40  C   UNL     1      10.800   1.655  -0.701  1.00  0.00           C  
HETATM   41  H   UNL     1       0.095   2.258   0.461  1.00  0.00           H  
HETATM   42  H   UNL     1       1.665  -2.779   0.282  1.00  0.00           H  
HETATM   43  H   UNL     1       3.879  -2.886   1.524  1.00  0.00           H  
HETATM   44  H   UNL     1       6.161  -1.969   1.577  1.00  0.00           H  
HETATM   45  H   UNL     1       4.894   1.325  -0.837  1.00  0.00           H  
HETATM   46  H   UNL     1       2.614   0.402  -0.898  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.629  -3.816  -0.162  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.997  -5.839  -0.437  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.443  -5.670  -0.624  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.548  -3.480  -0.541  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.202   3.200   2.083  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.023   4.088  -0.061  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.854   3.535  -2.155  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.072   1.100  -2.901  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.766   2.832  -3.178  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.590   1.855  -2.266  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.349   2.301   2.941  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.905   1.476   3.194  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.583   0.641   2.344  1.00  0.00           H  
HETATM   60  H   UNL     1       7.872  -1.639   0.495  1.00  0.00           H  
HETATM   61  H   UNL     1       7.732  -0.947  -1.140  1.00  0.00           H  
HETATM   62  H   UNL     1       9.576   0.052   1.079  1.00  0.00           H  
HETATM   63  H   UNL     1      10.077  -0.861  -0.366  1.00  0.00           H  
HETATM   64  H   UNL     1       8.674   2.312   0.811  1.00  0.00           H  
HETATM   65  H   UNL     1       8.535   3.003  -0.824  1.00  0.00           H  
HETATM   66  H   UNL     1       6.830   1.312  -1.408  1.00  0.00           H  
HETATM   67  H   UNL     1       6.330   2.225   0.036  1.00  0.00           H  
HETATM   68  H   UNL     1      11.491   0.934  -1.137  1.00  0.00           H  
HETATM   69  H   UNL     1      10.832   2.582  -1.273  1.00  0.00           H  
HETATM   70  H   UNL     1      11.087   1.855   0.331  1.00  0.00           H  
CONECT    1    6    6    7    2                                       
CONECT    2    1    3    3                                            
CONECT    3    2    2    4   14                                       
CONECT    4    3    5    5   17                                       
CONECT    5    4    4    6   41                                       
CONECT    6    1    1    5                                            
CONECT    7    1    8   42                                            
CONECT    8    7   13   13    9                                       
CONECT    9    8   10   10   43                                       
CONECT   10    9    9   11   44                                       
CONECT   11   10   12   12   34                                       
CONECT   12   11   11   13   45                                       
CONECT   13    8    8   12   46                                       
CONECT   14    3   15   18                                            
CONECT   15   14   16   20   20                                       
CONECT   16   15   17   26                                            
CONECT   17    4   16   25   25                                       
CONECT   18   14   21   19   19                                       
CONECT   19   18   18   20   24                                       
CONECT   20   15   15   19                                            
CONECT   21   18   22   22   47                                       
CONECT   22   21   21   23   48                                       
CONECT   23   22   24   24   49                                       
CONECT   24   19   23   23   50                                       
CONECT   25   17   17                                                 
CONECT   26   16   31   31   27                                       
CONECT   27   26   33   28   28                                       
CONECT   28   27   27   29   51                                       
CONECT   29   28   30   30   52                                       
CONECT   30   29   29   31   53                                       
CONECT   31   26   26   30   32                                       
CONECT   32   31   54   55   56                                       
CONECT   33   27   57   58   59                                       
CONECT   34   11   35   39                                            
CONECT   35   34   36   60   61                                       
CONECT   36   35   37   62   63                                       
CONECT   37   36   40   38                                            
CONECT   38   37   39   64   65                                       
CONECT   39   34   38   66   67                                       
CONECT   40   37   68   69   70                                       
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
CONECT   69   40                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
