COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.959  -1.873   0.640  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.425  -2.527   1.729  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.786  -3.156   1.887  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.440  -2.512   2.637  1.00  0.00           O  
HETATM    5  N   UNL     1      -4.461  -1.932   2.229  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.641  -1.486   1.011  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.668  -0.731   0.185  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.970  -0.377  -0.938  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.087  -0.010   0.322  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.876   3.723   0.504  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.646   2.659  -0.571  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.223   1.324  -0.098  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.340   3.085  -1.866  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.167   2.508  -0.819  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.241   2.147   0.086  1.00  0.00           N  
HETATM   16  N   UNL     1      -4.554   2.697  -1.949  1.00  0.00           N  
HETATM   17  O   UNL     1      -3.365   2.494  -1.821  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.099   2.143  -0.559  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.746   1.807   0.013  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.487   0.306  -0.137  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.448  -0.439   0.679  1.00  0.00           N  
HETATM   22  O   UNL     1       0.090  -0.782   1.240  1.00  0.00           O  
HETATM   23  N   UNL     1       0.969   0.561  -0.292  1.00  0.00           N  
HETATM   24  C   UNL     1       2.330   0.253   0.154  1.00  0.00           C  
HETATM   25  C   UNL     1       3.247   1.392  -0.210  1.00  0.00           C  
HETATM   26  O   UNL     1       2.807   2.365  -0.785  1.00  0.00           O  
HETATM   27  C   UNL     1       2.813  -1.028  -0.528  1.00  0.00           C  
HETATM   28  C   UNL     1       1.957  -2.208  -0.062  1.00  0.00           C  
HETATM   29  C   UNL     1       2.433  -3.470  -0.734  1.00  0.00           C  
HETATM   30  C   UNL     1       1.894  -3.852  -1.948  1.00  0.00           C  
HETATM   31  C   UNL     1       3.412  -4.243  -0.139  1.00  0.00           C  
HETATM   32  C   UNL     1       2.335  -5.007  -2.567  1.00  0.00           C  
HETATM   33  C   UNL     1       3.849  -5.401  -0.755  1.00  0.00           C  
HETATM   34  C   UNL     1       3.314  -5.780  -1.972  1.00  0.00           C  
HETATM   35  C   UNL     1       5.448   2.437  -0.249  1.00  0.00           C  
HETATM   36  C   UNL     1       6.848   2.121   0.210  1.00  0.00           C  
HETATM   37  C   UNL     1       7.262   2.495   1.474  1.00  0.00           C  
HETATM   38  C   UNL     1       9.415   1.535   1.053  1.00  0.00           C  
HETATM   39  C   UNL     1       7.718   1.456  -0.634  1.00  0.00           C  
HETATM   40  N   UNL     1       4.556   1.330   0.104  1.00  0.00           N  
HETATM   41  C   UNL     1       8.547   2.205   1.895  1.00  0.00           C  
HETATM   42  C   UNL     1      10.811   1.208   1.517  1.00  0.00           C  
HETATM   43  C   UNL     1       8.999   1.155  -0.209  1.00  0.00           C  
HETATM   44  H   UNL     1      -6.469  -1.688  -0.294  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.748  -4.192   1.550  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.081  -3.126   2.935  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.512  -2.606   1.288  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.381   3.420   1.427  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.465   4.675   0.168  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.945   3.833   0.684  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.292   1.433   0.082  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.059   0.566  -0.864  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.728   1.020   0.825  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.929   4.036  -2.203  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.176   2.327  -2.632  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.409   3.194  -1.686  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.977   2.364  -0.523  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.721   2.076   1.069  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.600   0.021  -1.183  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.207  -0.722   1.575  1.00  0.00           H  
HETATM   61  H   UNL     1       0.827   1.175  -1.029  1.00  0.00           H  
HETATM   62  H   UNL     1       2.335   0.113   1.235  1.00  0.00           H  
HETATM   63  H   UNL     1       2.724  -0.920  -1.609  1.00  0.00           H  
HETATM   64  H   UNL     1       3.855  -1.209  -0.266  1.00  0.00           H  
HETATM   65  H   UNL     1       0.915  -2.027  -0.324  1.00  0.00           H  
HETATM   66  H   UNL     1       2.046  -2.316   1.019  1.00  0.00           H  
HETATM   67  H   UNL     1       1.129  -3.248  -2.413  1.00  0.00           H  
HETATM   68  H   UNL     1       3.837  -3.943   0.808  1.00  0.00           H  
HETATM   69  H   UNL     1       1.917  -5.302  -3.519  1.00  0.00           H  
HETATM   70  H   UNL     1       4.614  -6.005  -0.290  1.00  0.00           H  
HETATM   71  H   UNL     1       3.662  -6.679  -2.458  1.00  0.00           H  
HETATM   72  H   UNL     1       5.443   2.577  -1.330  1.00  0.00           H  
HETATM   73  H   UNL     1       5.104   3.350   0.237  1.00  0.00           H  
HETATM   74  H   UNL     1       6.584   3.018   2.132  1.00  0.00           H  
HETATM   75  H   UNL     1       7.393   1.159  -1.620  1.00  0.00           H  
HETATM   76  H   UNL     1       4.908   0.552   0.564  1.00  0.00           H  
HETATM   77  H   UNL     1       8.872   2.501   2.882  1.00  0.00           H  
HETATM   78  H   UNL     1      11.483   2.023   1.249  1.00  0.00           H  
HETATM   79  H   UNL     1      10.813   1.077   2.599  1.00  0.00           H  
HETATM   80  H   UNL     1      11.146   0.288   1.038  1.00  0.00           H  
HETATM   81  H   UNL     1       9.674   0.623  -0.863  1.00  0.00           H  
CONECT    1    2    2    6   44                                       
CONECT    2    1    1    4    3                                       
CONECT    3    2   45   46   47                                       
CONECT    4    2    5                                                 
CONECT    5    6    6    4                                            
CONECT    6    7    5    5    1                                       
CONECT    7   21    8    8    6                                       
CONECT    8    7    7                                                 
CONECT    9   23   22   22   20                                       
CONECT   10   11   48   49   50                                       
CONECT   11   10   14   12   13                                       
CONECT   12   11   51   52   53                                       
CONECT   13   11   54   55   56                                       
CONECT   14   11   16   16   15                                       
CONECT   15   14   18   18                                            
CONECT   16   14   14   17                                            
CONECT   17   16   18                                                 
CONECT   18   15   15   17   19                                       
CONECT   19   18   20   57   58                                       
CONECT   20    9   19   21   59                                       
CONECT   21   20    7   60                                            
CONECT   22    9    9                                                 
CONECT   23    9   24   61                                            
CONECT   24   25   27   23   62                                       
CONECT   25   24   40   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   63   64                                       
CONECT   28   29   27   65   66                                       
CONECT   29   30   30   28   31                                       
CONECT   30   29   29   32   67                                       
CONECT   31   29   33   33   68                                       
CONECT   32   30   34   34   69                                       
CONECT   33   34   31   31   70                                       
CONECT   34   32   32   33   71                                       
CONECT   35   36   40   72   73                                       
CONECT   36   35   37   37   39                                       
CONECT   37   36   36   41   74                                       
CONECT   38   43   42   41   41                                       
CONECT   39   43   43   36   75                                       
CONECT   40   25   35   76                                            
CONECT   41   37   38   38   77                                       
CONECT   42   38   78   79   80                                       
CONECT   43   39   39   38   81                                       
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
