COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.943  -0.691  -0.234  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.174  -1.333   0.627  1.00  0.00           C  
HETATM    3  O   UNL     1       0.734   2.149  -1.374  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.338  -0.072   0.082  1.00  0.00           C  
HETATM    5  C   UNL     1       9.101   1.153   0.537  1.00  0.00           C  
HETATM    6  C   UNL     1       7.276  -0.157   0.074  1.00  0.00           C  
HETATM    7  C   UNL     1       8.070  -0.925  -0.802  1.00  0.00           C  
HETATM    8  C   UNL     1       9.412  -0.575  -0.954  1.00  0.00           C  
HETATM    9  C   UNL     1       6.071  -1.766  -0.832  1.00  0.00           C  
HETATM   10  C   UNL     1       2.649   0.514   0.052  1.00  0.00           C  
HETATM   11  C   UNL     1       4.145   0.872   0.009  1.00  0.00           C  
HETATM   12  C   UNL     1       4.847  -0.258   0.778  1.00  0.00           C  
HETATM   13  C   UNL     1       2.580  -0.826   0.799  1.00  0.00           C  
HETATM   14  C   UNL     1       1.717  -1.815   0.012  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.122   0.639  -0.849  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.466   0.289  -0.983  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.116   1.462  -0.927  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.719  -0.759   0.101  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.214  -1.124   0.106  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.911   0.062   0.791  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.642   0.619   0.776  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.771   1.558  -0.060  1.00  0.00           C  
HETATM   23  F   UNL     1       4.369   2.102   0.638  1.00  0.00           F  
HETATM   24  F   UNL     1      -4.426  -2.299   0.834  1.00  0.00           F  
HETATM   25  N   UNL     1      -7.901  -1.040   0.791  1.00  0.00           N  
HETATM   26  N   UNL     1      10.247  -1.302  -1.808  1.00  0.00           N1+
HETATM   27  N   UNL     1      -6.080   0.471   0.008  1.00  0.00           N  
HETATM   28  N   UNL     1      -7.313   1.559  -1.428  1.00  0.00           N  
HETATM   29  N   UNL     1       9.878   0.458  -0.273  1.00  0.00           N  
HETATM   30  N   UNL     1       7.829   0.863   0.715  1.00  0.00           N  
HETATM   31  N   UNL     1       6.022  -0.713   0.032  1.00  0.00           N  
HETATM   32  N   UNL     1       7.271  -1.890  -1.319  1.00  0.00           N  
HETATM   33  O   UNL     1      -3.971   1.136   0.859  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.971  -1.720   0.848  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.664   2.006   0.724  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.797  -2.431  -1.270  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.117  -4.185   0.516  1.00  0.00           O  
HETATM   38  O   UNL     1       3.912  -1.330   0.913  1.00  0.00           O  
HETATM   39  O   UNL     1       1.919   1.516   0.763  1.00  0.00           O  
HETATM   40  O   UNL     1       0.609  -2.225   0.816  1.00  0.00           O  
HETATM   41  P   UNL     1       0.760   2.403   0.084  1.00  0.00           P  
HETATM   42  P   UNL     1      -0.819  -2.636   0.195  1.00  0.00           P  
HETATM   43  S   UNL     1       1.144   4.458   0.437  1.00  0.00           S  
HETATM   44  N   UNL     1     -10.291   0.959  -1.891  1.00  0.00           N1+
HETATM   45  H   UNL     1      -9.606  -2.127   1.219  1.00  0.00           H  
HETATM   46  H   UNL     1       9.525   1.987   1.077  1.00  0.00           H  
HETATM   47  H   UNL     1       5.235  -2.404  -1.076  1.00  0.00           H  
HETATM   48  H   UNL     1       2.256   0.405  -0.959  1.00  0.00           H  
HETATM   49  H   UNL     1       4.498   0.905  -1.022  1.00  0.00           H  
HETATM   50  H   UNL     1       5.148   0.097   1.764  1.00  0.00           H  
HETATM   51  H   UNL     1       2.156  -0.675   1.792  1.00  0.00           H  
HETATM   52  H   UNL     1       1.351  -1.335  -0.895  1.00  0.00           H  
HETATM   53  H   UNL     1       2.315  -2.687  -0.254  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.275   2.077  -1.210  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.346  -0.702  -0.921  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.580  -1.240  -0.914  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.221  -0.222   1.797  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.222   0.518   1.776  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.403   1.027  -0.939  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.363   2.417  -0.377  1.00  0.00           H  
HETATM   61  H   UNL     1      10.215  -0.899  -2.733  1.00  0.00           H  
HETATM   62  H   UNL     1      11.194  -1.271  -1.460  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.462  -4.795   0.152  1.00  0.00           H  
HETATM   64  H   UNL     1       0.114   5.068  -0.176  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.259   0.492  -2.784  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.240   0.960  -1.546  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.972   1.911  -1.997  1.00  0.00           H  
HETATM   68  H   UNL     1       9.935  -2.260  -1.849  1.00  0.00           H  
CONECT    1   16    2    2                                            
CONECT    2    1    1   25   45                                       
CONECT    3   41   41                                                 
CONECT    4   15   27   25   25                                       
CONECT    5   29   29   30   46                                       
CONECT    6   30   30    7   31                                       
CONECT    7    8    8    6   32                                       
CONECT    8   29   26    7    7                                       
CONECT    9   31   32   32   47                                       
CONECT   10   11   13   39   48                                       
CONECT   11   23   12   10   49                                       
CONECT   12   31   11   38   50                                       
CONECT   13   38   10   14   51                                       
CONECT   14   13   40   52   53                                       
CONECT   15   28   16   16    4                                       
CONECT   16   44   15   15    1                                       
CONECT   17   28   28   27   54                                       
CONECT   18   34   21   19   55                                       
CONECT   19   18   20   24   56                                       
CONECT   20   27   33   19   57                                       
CONECT   21   22   18   33   58                                       
CONECT   22   35   21   59   60                                       
CONECT   23   11                                                      
CONECT   24   19                                                      
CONECT   25    4    4    2                                            
CONECT   26    8   61   62   68                                       
CONECT   27   17    4   20                                            
CONECT   28   15   17   17                                            
CONECT   29    5    5    8                                            
CONECT   30    5    6    6                                            
CONECT   31    6   12    9                                            
CONECT   32    7    9    9                                            
CONECT   33   21   20                                                 
CONECT   34   42   18                                                 
CONECT   35   41   22                                                 
CONECT   36   42   42                                                 
CONECT   37   42   63                                                 
CONECT   38   12   13                                                 
CONECT   39   10   41                                                 
CONECT   40   14   42                                                 
CONECT   41    3    3   39   43                                       
CONECT   41   35                                                      
CONECT   42   40   36   36   37                                       
CONECT   42   34                                                      
CONECT   43   41   64                                                 
CONECT   44   16   65   66   67                                       
CONECT   45    2                                                      
CONECT   46    5                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   37                                                      
CONECT   64   43                                                      
CONECT   65   44                                                      
CONECT   66   44                                                      
CONECT   67   44                                                      
CONECT   68   26                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
