COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.278   2.554   4.444  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.761   2.274   3.455  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.371   1.921   2.209  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.601   2.342   1.740  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.778   1.765   0.520  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.960   1.939  -0.349  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.016   2.756   0.060  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.117   2.915  -0.754  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.177   2.265  -1.977  1.00  0.00           C  
HETATM   10  F   UNL     1      -7.258   2.424  -2.772  1.00  0.00           F  
HETATM   11  C   UNL     1      -5.132   1.452  -2.388  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.024   1.291  -1.584  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.723   1.027   0.239  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.845   1.099   1.235  1.00  0.00           C  
HETATM   15  C   UNL     1       0.490   0.401   1.292  1.00  0.00           C  
HETATM   16  C   UNL     1       1.479   1.117   0.370  1.00  0.00           C  
HETATM   17  C   UNL     1       2.865   0.487   0.521  1.00  0.00           C  
HETATM   18  C   UNL     1       3.854   1.203  -0.401  1.00  0.00           C  
HETATM   19  C   UNL     1       5.240   0.573  -0.250  1.00  0.00           C  
HETATM   20  C   UNL     1       6.229   1.289  -1.172  1.00  0.00           C  
HETATM   21  C   UNL     1       7.615   0.659  -1.021  1.00  0.00           C  
HETATM   22  O   UNL     1       8.050   0.785   0.334  1.00  0.00           O  
HETATM   23  O   UNL     1       7.550  -0.724  -1.374  1.00  0.00           O  
HETATM   24  C   UNL     1       8.604   1.375  -1.943  1.00  0.00           C  
HETATM   25  C   UNL     1       9.990   0.745  -1.792  1.00  0.00           C  
HETATM   26  N   UNL     1       0.334  -0.988   0.855  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.052  -1.932   1.737  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.269  -1.631   2.891  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.212  -3.362   1.288  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.591  -3.795   0.792  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.084  -4.279   2.148  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.707  -2.745   0.778  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.759  -2.104  -0.613  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.928  -3.152  -1.628  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.200  -2.567  -2.948  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.766  -4.047  -1.679  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.651  -4.810  -0.354  1.00  0.00           C  
HETATM   38  H   UNL     1      -3.221   2.934   2.194  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.971   3.262   1.013  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.934   3.546  -0.439  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.184   0.948  -3.342  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.208   0.661  -1.907  1.00  0.00           H  
HETATM   43  H   UNL     1       0.867   0.421   2.314  1.00  0.00           H  
HETATM   44  H   UNL     1       1.147   1.021  -0.664  1.00  0.00           H  
HETATM   45  H   UNL     1       1.528   2.173   0.639  1.00  0.00           H  
HETATM   46  H   UNL     1       3.197   0.584   1.554  1.00  0.00           H  
HETATM   47  H   UNL     1       2.816  -0.568   0.252  1.00  0.00           H  
HETATM   48  H   UNL     1       3.522   1.107  -1.435  1.00  0.00           H  
HETATM   49  H   UNL     1       3.903   2.259  -0.132  1.00  0.00           H  
HETATM   50  H   UNL     1       5.572   0.669   0.784  1.00  0.00           H  
HETATM   51  H   UNL     1       5.191  -0.482  -0.519  1.00  0.00           H  
HETATM   52  H   UNL     1       5.897   1.193  -2.206  1.00  0.00           H  
HETATM   53  H   UNL     1       6.278   2.344  -0.903  1.00  0.00           H  
HETATM   54  H   UNL     1       8.117   1.699   0.642  1.00  0.00           H  
HETATM   55  H   UNL     1       7.261  -0.885  -2.283  1.00  0.00           H  
HETATM   56  H   UNL     1       8.272   1.279  -2.977  1.00  0.00           H  
HETATM   57  H   UNL     1       8.653   2.430  -1.674  1.00  0.00           H  
HETATM   58  H   UNL     1      10.322   0.841  -0.758  1.00  0.00           H  
HETATM   59  H   UNL     1       9.941  -0.310  -2.061  1.00  0.00           H  
HETATM   60  H   UNL     1      10.695   1.255  -2.449  1.00  0.00           H  
HETATM   61  H   UNL     1       0.507  -1.229  -0.068  1.00  0.00           H  
HETATM   62  H   UNL     1       0.659  -3.803   0.803  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.786  -5.325   2.231  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.541  -3.849   3.039  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.662  -3.223   0.996  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.499  -1.980   1.526  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.599  -1.411  -0.663  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.831  -1.564  -0.800  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.367  -1.928  -3.241  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.321  -3.365  -3.681  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.114  -1.975  -2.902  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.889  -4.756  -2.497  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.861  -3.460  -1.839  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.743  -5.413  -0.357  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.521  -5.454  -0.227  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2   14   14    4                                       
CONECT    4    3    5   38                                            
CONECT    5    4   13   13    6                                       
CONECT    6    5   12   12    7                                       
CONECT    7    6    8    8   39                                       
CONECT    8    7    7    9   40                                       
CONECT    9   11   11    8   10                                       
CONECT   10    9                                                      
CONECT   11   12    9    9   41                                       
CONECT   12    6    6   11   42                                       
CONECT   13   14    5    5                                            
CONECT   14   15    3    3   13                                       
CONECT   15   26   16   14   43                                       
CONECT   16   17   15   44   45                                       
CONECT   17   18   16   46   47                                       
CONECT   18   19   17   48   49                                       
CONECT   19   18   20   50   51                                       
CONECT   20   19   21   52   53                                       
CONECT   21   22   23   20   24                                       
CONECT   22   21   54                                                 
CONECT   23   21   55                                                 
CONECT   24   21   25   56   57                                       
CONECT   25   24   58   59   60                                       
CONECT   26   27   15   61                                            
CONECT   27   28   28   29   26                                       
CONECT   28   27   27                                                 
CONECT   29   31   27   30   62                                       
CONECT   30   31   29   32   37                                       
CONECT   31   29   30   63   64                                       
CONECT   32   30   33   65   66                                       
CONECT   33   32   34   67   68                                       
CONECT   34   33   36   35                                            
CONECT   35   34   69   70   71                                       
CONECT   36   37   34   72   73                                       
CONECT   37   30   36   74   75                                       
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
