COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.977   3.513  -1.894  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.931   3.327  -1.495  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.574   3.086  -0.976  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.509   1.778  -0.403  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.316   1.395   0.124  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.180   0.129   0.702  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.338  -0.799   0.739  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.337  -2.105   0.345  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.635  -0.494   1.195  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.373  -1.566   1.072  1.00  0.00           N  
HETATM   11  N   UNL     1      -4.581  -2.591   0.540  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.025  -3.957   0.250  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.232   2.255   0.087  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.015   1.862   0.626  1.00  0.00           C  
HETATM   15  C   UNL     1       0.119   0.604   1.204  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.957  -0.259   1.241  1.00  0.00           C  
HETATM   17  N   UNL     1       1.079   2.731   0.587  1.00  0.00           N  
HETATM   18  C   UNL     1       2.361   2.225   0.441  1.00  0.00           C  
HETATM   19  N   UNL     1       2.530   0.930   0.217  1.00  0.00           N  
HETATM   20  C   UNL     1       3.736   0.403   0.071  1.00  0.00           C  
HETATM   21  C   UNL     1       4.879   1.217   0.150  1.00  0.00           C  
HETATM   22  C   UNL     1       6.186   0.653  -0.008  1.00  0.00           C  
HETATM   23  N   UNL     1       7.222   0.205  -0.133  1.00  0.00           N  
HETATM   24  C   UNL     1       4.720   2.591   0.386  1.00  0.00           C  
HETATM   25  C   UNL     1       3.452   3.088   0.526  1.00  0.00           C  
HETATM   26  N   UNL     1       3.871  -0.954  -0.161  1.00  0.00           N  
HETATM   27  C   UNL     1       2.681  -1.805  -0.244  1.00  0.00           C  
HETATM   28  C   UNL     1       3.057  -3.243   0.118  1.00  0.00           C  
HETATM   29  C   UNL     1       1.815  -4.132   0.032  1.00  0.00           C  
HETATM   30  C   UNL     1       1.259  -4.094  -1.393  1.00  0.00           C  
HETATM   31  C   UNL     1       0.883  -2.655  -1.755  1.00  0.00           C  
HETATM   32  C   UNL     1       2.125  -1.766  -1.668  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.855   3.161  -1.792  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.339   3.829  -0.214  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.494  -2.651  -0.052  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.964   0.460   1.579  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.873  -4.583   1.129  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.083  -3.947  -0.011  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.449  -4.357  -0.584  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.334   3.232  -0.363  1.00  0.00           H  
HETATM   41  H   UNL     1       1.067   0.301   1.622  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.850  -1.235   1.691  1.00  0.00           H  
HETATM   43  H   UNL     1       0.941   3.688   0.662  1.00  0.00           H  
HETATM   44  H   UNL     1       5.579   3.242   0.453  1.00  0.00           H  
HETATM   45  H   UNL     1       3.299   4.142   0.708  1.00  0.00           H  
HETATM   46  H   UNL     1       4.753  -1.342  -0.268  1.00  0.00           H  
HETATM   47  H   UNL     1       1.925  -1.441   0.452  1.00  0.00           H  
HETATM   48  H   UNL     1       3.814  -3.607  -0.577  1.00  0.00           H  
HETATM   49  H   UNL     1       3.454  -3.271   1.133  1.00  0.00           H  
HETATM   50  H   UNL     1       2.083  -5.157   0.289  1.00  0.00           H  
HETATM   51  H   UNL     1       1.059  -3.769   0.727  1.00  0.00           H  
HETATM   52  H   UNL     1       2.015  -4.457  -2.089  1.00  0.00           H  
HETATM   53  H   UNL     1       0.374  -4.727  -1.455  1.00  0.00           H  
HETATM   54  H   UNL     1       0.486  -2.628  -2.770  1.00  0.00           H  
HETATM   55  H   UNL     1       0.126  -2.292  -1.059  1.00  0.00           H  
HETATM   56  H   UNL     1       1.857  -0.742  -1.926  1.00  0.00           H  
HETATM   57  H   UNL     1       2.881  -2.130  -2.364  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3    4    2   33   34                                       
CONECT    4    5    3                                                 
CONECT    5   13    6    6    4                                       
CONECT    6   16    5    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   11   35                                       
CONECT    9    7   10   10   36                                       
CONECT   10   11    9    9                                            
CONECT   11    8   12   10                                            
CONECT   12   11   37   38   39                                       
CONECT   13   14   14    5   40                                       
CONECT   14   17   15   13   13                                       
CONECT   15   14   16   16   41                                       
CONECT   16   15   15    6   42                                       
CONECT   17   18   14   43                                            
CONECT   18   19   19   25   17                                       
CONECT   19   20   18   18                                            
CONECT   20   26   21   21   19                                       
CONECT   21   22   20   20   24                                       
CONECT   22   23   23   23   21                                       
CONECT   23   22   22   22                                            
CONECT   24   21   25   25   44                                       
CONECT   25   24   24   18   45                                       
CONECT   26   27   20   46                                            
CONECT   27   32   26   28   47                                       
CONECT   28   27   29   48   49                                       
CONECT   29   30   28   50   51                                       
CONECT   30   31   29   52   53                                       
CONECT   31   32   30   54   55                                       
CONECT   32   31   27   56   57                                       
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
