COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.245   2.782   0.492  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.365   2.985   0.925  1.00  0.00           O  
HETATM    3  N   UNL     1      -2.392   3.803   0.252  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.138   3.562  -0.234  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.308   4.632  -0.462  1.00  0.00           N  
HETATM    6  N   UNL     1      -0.691   2.360  -0.492  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.459   1.258  -0.289  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.977  -0.015  -0.566  1.00  0.00           C  
HETATM    9  C   UNL     1       0.420  -0.198  -1.100  1.00  0.00           C  
HETATM   10  C   UNL     1       1.395  -0.362   0.068  1.00  0.00           C  
HETATM   11  N   UNL     1       2.757  -0.540  -0.453  1.00  0.00           N  
HETATM   12  C   UNL     1       3.723  -0.701   0.642  1.00  0.00           C  
HETATM   13  C   UNL     1       5.127  -0.884   0.061  1.00  0.00           C  
HETATM   14  C   UNL     1       6.141  -1.180   1.185  1.00  0.00           C  
HETATM   15  C   UNL     1       7.440  -0.445   0.809  1.00  0.00           C  
HETATM   16  C   UNL     1       7.169   0.272  -0.530  1.00  0.00           C  
HETATM   17  C   UNL     1       5.630   0.440  -0.566  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.794  -1.124  -0.345  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.606  -2.458  -0.517  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.688  -3.107  -0.162  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.839  -4.475  -0.209  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.100  -5.087   0.215  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.643  -2.228   0.260  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.102  -0.953   0.155  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.586   0.309   0.433  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.772   1.420   0.219  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.672   4.715   0.425  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.617   5.533  -0.278  1.00  0.00           H  
HETATM   29  H   UNL     1       0.587   4.486  -0.807  1.00  0.00           H  
HETATM   30  H   UNL     1       0.455  -1.087  -1.730  1.00  0.00           H  
HETATM   31  H   UNL     1       0.701   0.676  -1.688  1.00  0.00           H  
HETATM   32  H   UNL     1       1.360   0.526   0.698  1.00  0.00           H  
HETATM   33  H   UNL     1       1.114  -1.236   0.655  1.00  0.00           H  
HETATM   34  H   UNL     1       2.801  -1.320  -1.092  1.00  0.00           H  
HETATM   35  H   UNL     1       3.704   0.185   1.276  1.00  0.00           H  
HETATM   36  H   UNL     1       3.458  -1.577   1.234  1.00  0.00           H  
HETATM   37  H   UNL     1       5.132  -1.685  -0.678  1.00  0.00           H  
HETATM   38  H   UNL     1       5.763  -0.807   2.137  1.00  0.00           H  
HETATM   39  H   UNL     1       6.324  -2.252   1.250  1.00  0.00           H  
HETATM   40  H   UNL     1       7.692   0.284   1.579  1.00  0.00           H  
HETATM   41  H   UNL     1       8.253  -1.161   0.692  1.00  0.00           H  
HETATM   42  H   UNL     1       7.660   1.245  -0.547  1.00  0.00           H  
HETATM   43  H   UNL     1       7.506  -0.342  -1.365  1.00  0.00           H  
HETATM   44  H   UNL     1       5.276   0.540  -1.592  1.00  0.00           H  
HETATM   45  H   UNL     1       5.320   1.295   0.036  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.110  -5.033  -0.523  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.914  -4.711  -0.405  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.032  -6.170   0.108  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.293  -4.837   1.258  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.532  -2.452   0.575  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.588   0.434   0.815  1.00  0.00           H  
CONECT    1    2    2    3   26                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   27                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4   28   29                                            
CONECT    6    4    4    7                                            
CONECT    7    6    8    8   26                                       
CONECT    8    7    7    9   18                                       
CONECT    9    8   10   30   31                                       
CONECT   10    9   11   32   33                                       
CONECT   11   10   12   34                                            
CONECT   12   11   13   35   36                                       
CONECT   13   12   14   17   37                                       
CONECT   14   13   15   38   39                                       
CONECT   15   14   16   40   41                                       
CONECT   16   15   17   42   43                                       
CONECT   17   13   16   44   45                                       
CONECT   18    8   19   24   24                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   21   23                                       
CONECT   21   20   22   46                                            
CONECT   22   21   47   48   49                                       
CONECT   23   20   24   50                                            
CONECT   24   18   18   23   25                                       
CONECT   25   24   26   26   51                                       
CONECT   26    1    7   25   25                                       
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
