COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.267  -2.197  -1.087  1.00  0.00           O  
HETATM    2  C   UNL     1       1.937  -1.264  -0.376  1.00  0.00           C  
HETATM    3  N   UNL     1       2.866  -0.399   0.074  1.00  0.00           N  
HETATM    4  N   UNL     1       2.493   0.674   0.898  1.00  0.00           N  
HETATM    5  C   UNL     1       3.314   1.111   1.806  1.00  0.00           C  
HETATM    6  C   UNL     1       4.634   0.472   1.961  1.00  0.00           C  
HETATM    7  C   UNL     1       5.403   0.688   3.105  1.00  0.00           C  
HETATM    8  C   UNL     1       6.634   0.077   3.226  1.00  0.00           C  
HETATM    9  C   UNL     1       7.106  -0.746   2.218  1.00  0.00           C  
HETATM   10  C   UNL     1       6.349  -0.963   1.079  1.00  0.00           C  
HETATM   11  C   UNL     1       5.119  -0.359   0.947  1.00  0.00           C  
HETATM   12  C   UNL     1       4.279  -0.574  -0.288  1.00  0.00           C  
HETATM   13  C   UNL     1       4.659   0.429  -1.346  1.00  0.00           C  
HETATM   14  C   UNL     1       4.186   1.726  -1.271  1.00  0.00           C  
HETATM   15  C   UNL     1       4.535   2.646  -2.242  1.00  0.00           C  
HETATM   16  C   UNL     1       5.356   2.270  -3.288  1.00  0.00           C  
HETATM   17  C   UNL     1       5.830   0.973  -3.363  1.00  0.00           C  
HETATM   18  C   UNL     1       5.485   0.054  -2.390  1.00  0.00           C  
HETATM   19  C   UNL     1       0.532  -1.081  -0.017  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.400  -1.945  -0.473  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.813  -1.760  -0.112  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.784  -2.655  -0.583  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.424  -3.698  -1.376  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.083  -4.922  -0.723  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.117  -2.470  -0.234  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.065  -3.334  -0.687  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.414  -3.083  -0.290  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.480  -1.406   0.575  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.521  -0.521   1.041  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.929   0.629   1.925  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.247   1.830   1.073  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.289   2.795   0.828  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.599   3.840   0.074  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.812   3.969  -0.444  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.096   5.075  -1.226  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.758   3.066  -0.234  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.514   1.991   0.508  1.00  0.00           C  
HETATM   38  N   UNL     1      -6.505   1.048   0.726  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.196  -0.693   0.709  1.00  0.00           C  
HETATM   40  H   UNL     1       3.032   1.936   2.443  1.00  0.00           H  
HETATM   41  H   UNL     1       5.036   1.330   3.893  1.00  0.00           H  
HETATM   42  H   UNL     1       7.232   0.241   4.110  1.00  0.00           H  
HETATM   43  H   UNL     1       8.071  -1.221   2.319  1.00  0.00           H  
HETATM   44  H   UNL     1       6.722  -1.606   0.296  1.00  0.00           H  
HETATM   45  H   UNL     1       4.438  -1.585  -0.663  1.00  0.00           H  
HETATM   46  H   UNL     1       3.545   2.020  -0.454  1.00  0.00           H  
HETATM   47  H   UNL     1       4.165   3.659  -2.183  1.00  0.00           H  
HETATM   48  H   UNL     1       5.628   2.988  -4.047  1.00  0.00           H  
HETATM   49  H   UNL     1       6.471   0.679  -4.180  1.00  0.00           H  
HETATM   50  H   UNL     1       5.857  -0.958  -2.446  1.00  0.00           H  
HETATM   51  H   UNL     1       0.239  -0.254   0.613  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.108  -2.772  -1.103  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.237  -4.755  -0.056  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.937  -5.275  -0.144  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.816  -5.670  -1.469  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.485  -3.115   0.798  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.721  -2.099  -0.645  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.067  -3.844  -0.718  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.516  -1.266   0.844  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.812   0.349   2.501  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.113   0.871   2.606  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.298   2.699   1.247  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.412   5.744  -1.388  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.980   5.182  -1.612  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.385   1.170   0.336  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.319   0.266   1.268  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.453   0.001   1.075  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   19    1    1                                       
CONECT    3    4   12    2                                            
CONECT    4    5    5    3                                            
CONECT    5    6    4    4   40                                       
CONECT    6    7    5   11   11                                       
CONECT    7    8    8    6   41                                       
CONECT    8    7    7    9   42                                       
CONECT    9    8   10   10   43                                       
CONECT   10    9    9   11   44                                       
CONECT   11    6    6   10   12                                       
CONECT   12   11    3   13   45                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   16   16   47                                       
CONECT   16   15   15   17   48                                       
CONECT   17   18   18   16   49                                       
CONECT   18   13   17   17   50                                       
CONECT   19   20   20    2   51                                       
CONECT   20   21   19   19   52                                       
CONECT   21   39   20   22   22                                       
CONECT   22   21   21   25   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   53   54   55                                       
CONECT   25   28   28   22   26                                       
CONECT   26   25   27                                                 
CONECT   27   26   56   57   58                                       
CONECT   28   29   25   25   59                                       
CONECT   29   30   39   39   28                                       
CONECT   30   31   29   60   61                                       
CONECT   31   37   30   32   32                                       
CONECT   32   31   31   33   62                                       
CONECT   33   34   34   32                                            
CONECT   34   36   35   33   33                                       
CONECT   35   34   63   64                                            
CONECT   36   37   37   34                                            
CONECT   37   38   36   36   31                                       
CONECT   38   37   65   66                                            
CONECT   39   29   29   21   67                                       
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
