COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.117   3.264  -0.790  1.00  0.00           O  
HETATM    2  C   UNL     1       3.004   3.086  -0.334  1.00  0.00           C  
HETATM    3  N   UNL     1       2.217   4.125   0.030  1.00  0.00           N  
HETATM    4  C   UNL     1       0.988   3.926   0.528  1.00  0.00           C  
HETATM    5  O   UNL     1       0.330   4.905   0.836  1.00  0.00           O  
HETATM    6  C   UNL     1       2.451   1.727  -0.160  1.00  0.00           C  
HETATM    7  C   UNL     1       1.095   1.617   0.400  1.00  0.00           C  
HETATM    8  N   UNL     1       0.442   2.726   0.705  1.00  0.00           N  
HETATM    9  N   UNL     1       3.126   0.651  -0.485  1.00  0.00           N  
HETATM   10  C   UNL     1       2.599  -0.565  -0.316  1.00  0.00           C  
HETATM   11  C   UNL     1       3.347  -1.707  -0.674  1.00  0.00           C  
HETATM   12  C   UNL     1       2.817  -2.947  -0.506  1.00  0.00           C  
HETATM   13  C   UNL     1       3.622  -4.161  -0.891  1.00  0.00           C  
HETATM   14  C   UNL     1       1.530  -3.107   0.023  1.00  0.00           C  
HETATM   15  N   UNL     1       1.006  -4.381   0.188  1.00  0.00           N  
HETATM   16  C   UNL     1       0.773  -4.674   1.609  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.226  -4.549  -0.593  1.00  0.00           C  
HETATM   18  C   UNL     1       0.775  -2.000   0.384  1.00  0.00           C  
HETATM   19  C   UNL     1       1.298  -0.725   0.219  1.00  0.00           C  
HETATM   20  N   UNL     1       0.551   0.379   0.576  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.797   0.225   1.130  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.820   0.226  -0.007  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.737   1.461  -0.721  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.227   0.065   0.572  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.309  -1.170   1.286  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.250   0.067  -0.566  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.167   1.302  -1.279  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.657  -0.094   0.014  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.601  -0.210  -1.053  1.00  0.00           O  
HETATM   30  H   UNL     1       2.548   5.031  -0.071  1.00  0.00           H  
HETATM   31  H   UNL     1       4.340  -1.596  -1.084  1.00  0.00           H  
HETATM   32  H   UNL     1       4.210  -4.493  -0.035  1.00  0.00           H  
HETATM   33  H   UNL     1       2.948  -4.960  -1.201  1.00  0.00           H  
HETATM   34  H   UNL     1       4.289  -3.908  -1.714  1.00  0.00           H  
HETATM   35  H   UNL     1       0.068  -3.951   2.018  1.00  0.00           H  
HETATM   36  H   UNL     1       0.362  -5.679   1.709  1.00  0.00           H  
HETATM   37  H   UNL     1       1.715  -4.611   2.152  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.010  -4.394  -1.651  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.616  -5.556  -0.446  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.968  -3.821  -0.264  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.216  -2.130   0.791  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.860  -0.717   1.675  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.007   1.052   1.809  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.609  -0.600  -0.686  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.913   2.242  -0.178  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.437   0.892   1.251  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.134  -1.950   0.743  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.039  -0.760  -1.244  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.343   2.082  -0.737  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.695  -0.991   0.631  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.901   0.777   0.622  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.516  -0.315  -0.759  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    1    1    3                                       
CONECT    3    2   30    4                                            
CONECT    4    8    3    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    2    9    9    7                                       
CONECT    7   20    6    8    8                                       
CONECT    8    4    7    7                                            
CONECT    9    6    6   10                                            
CONECT   10    9   11   11   19                                       
CONECT   11   10   10   12   31                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   32   33   34                                       
CONECT   14   15   12   12   18                                       
CONECT   15   14   17   16                                            
CONECT   16   15   35   36   37                                       
CONECT   17   15   38   39   40                                       
CONECT   18   14   41   19   19                                       
CONECT   19   18   18   10   20                                       
CONECT   20    7   19   21                                            
CONECT   21   20   42   43   22                                       
CONECT   22   21   44   23   24                                       
CONECT   23   22   45                                                 
CONECT   24   26   22   46   25                                       
CONECT   25   24   47                                                 
CONECT   26   24   27   48   28                                       
CONECT   27   26   49                                                 
CONECT   28   26   50   51   29                                       
CONECT   29   28   52                                                 
CONECT   30    3                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
