COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.076   1.046  -0.131  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.822  -0.328   0.025  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.506  -0.798   0.132  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.457   0.095   0.084  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.708   1.465  -0.072  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.015   1.935  -0.178  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.414   1.199  -0.211  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.038   0.012  -0.117  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.139  -0.972   0.036  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.532  -0.184  -0.168  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.580   2.416  -0.122  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.266  -2.126   0.284  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.793   3.605  -0.256  1.00  0.00           O  
HETATM   14  N   UNL     1       0.686   1.965  -0.019  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.974  -2.542   0.299  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.184  -2.378   1.436  1.00  0.00           C  
HETATM   17  N   UNL     1       1.067  -2.795   1.414  1.00  0.00           N  
HETATM   18  C   UNL     1       1.575  -3.364   0.329  1.00  0.00           C  
HETATM   19  N   UNL     1       0.854  -3.536  -0.770  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.406  -3.149  -0.821  1.00  0.00           C  
HETATM   21  C   UNL     1       2.986  -3.818   0.346  1.00  0.00           C  
HETATM   22  N   UNL     1       3.778  -3.596  -0.722  1.00  0.00           N  
HETATM   23  O   UNL     1       3.428  -4.391   1.322  1.00  0.00           O  
HETATM   24  C   UNL     1       5.134  -4.149  -0.756  1.00  0.00           C  
HETATM   25  C   UNL     1       3.283  -2.801  -1.849  1.00  0.00           C  
HETATM   26  C   UNL     1       1.745   2.869   0.034  1.00  0.00           C  
HETATM   27  N   UNL     1       1.519   4.167  -0.117  1.00  0.00           N  
HETATM   28  C   UNL     1       2.526   5.022  -0.066  1.00  0.00           C  
HETATM   29  C   UNL     1       3.813   4.565   0.144  1.00  0.00           C  
HETATM   30  N   UNL     1       4.043   3.272   0.296  1.00  0.00           N  
HETATM   31  C   UNL     1       3.042   2.413   0.252  1.00  0.00           C  
HETATM   32  C   UNL     1       4.958   5.543   0.200  1.00  0.00           C  
HETATM   33  H   UNL     1      -0.441  -0.262   0.166  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.201   2.992  -0.298  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.344  -2.027   0.138  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.021   0.782  -0.293  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.785  -0.831  -1.008  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.870  -0.645   0.760  1.00  0.00           H  
HETATM   39  H   UNL     1       0.860   1.012   0.019  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.591  -1.915   2.323  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.988  -3.297  -1.718  1.00  0.00           H  
HETATM   42  H   UNL     1       5.110  -5.141  -1.209  1.00  0.00           H  
HETATM   43  H   UNL     1       5.779  -3.496  -1.344  1.00  0.00           H  
HETATM   44  H   UNL     1       5.522  -4.223   0.260  1.00  0.00           H  
HETATM   45  H   UNL     1       2.257  -2.490  -1.651  1.00  0.00           H  
HETATM   46  H   UNL     1       3.912  -1.919  -1.975  1.00  0.00           H  
HETATM   47  H   UNL     1       3.312  -3.401  -2.758  1.00  0.00           H  
HETATM   48  H   UNL     1       2.343   6.079  -0.190  1.00  0.00           H  
HETATM   49  H   UNL     1       3.230   1.357   0.381  1.00  0.00           H  
HETATM   50  H   UNL     1       5.103   5.875   1.229  1.00  0.00           H  
HETATM   51  H   UNL     1       5.868   5.059  -0.156  1.00  0.00           H  
HETATM   52  H   UNL     1       4.733   6.403  -0.431  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3    9                                       
CONECT    3    2    4    4   12                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   34                                       
CONECT    7    1    8                                                 
CONECT    8    7    9    9   10                                       
CONECT    9    2    8    8   35                                       
CONECT   10    8   36   37   38                                       
CONECT   11    5   13   13   14                                       
CONECT   12    3   15                                                 
CONECT   13   11   11                                                 
CONECT   14   11   26   39                                            
CONECT   15   12   16   16   20                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20                                            
CONECT   20   15   19   19   41                                       
CONECT   21   18   22   23   23                                       
CONECT   22   21   24   25                                            
CONECT   23   21   21                                                 
CONECT   24   22   42   43   44                                       
CONECT   25   22   45   46   47                                       
CONECT   26   14   27   27   31                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   29   48                                       
CONECT   29   28   28   30   32                                       
CONECT   30   29   31   31                                            
CONECT   31   26   30   30   49                                       
CONECT   32   29   50   51   52                                       
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   20                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   31                                                      
CONECT   50   32                                                      
CONECT   51   32                                                      
CONECT   52   32                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
