COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.262   4.275   0.166  1.00  0.00           O  
HETATM    2  C   UNL     1       5.228   3.588  -0.070  1.00  0.00           C  
HETATM    3  O   UNL     1       6.437   4.155  -0.206  1.00  0.00           O  
HETATM    4  C   UNL     1       5.076   2.095  -0.204  1.00  0.00           C  
HETATM    5  C   UNL     1       3.609   1.711   0.001  1.00  0.00           C  
HETATM    6  N   UNL     1       3.462   0.259  -0.129  1.00  0.00           N  
HETATM    7  C   UNL     1       2.214  -0.326   0.018  1.00  0.00           C  
HETATM    8  N   UNL     1       2.069  -1.643  -0.099  1.00  0.00           N  
HETATM    9  C   UNL     1       0.880  -2.211   0.040  1.00  0.00           C  
HETATM   10  C   UNL     1       0.761  -3.684  -0.098  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.424  -4.264   0.039  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.572  -5.567  -0.076  1.00  0.00           C  
HETATM   13  C   UNL     1       0.512  -6.385  -0.345  1.00  0.00           C  
HETATM   14  C   UNL     1       1.769  -5.819  -0.495  1.00  0.00           C  
HETATM   15  C   UNL     1       1.895  -4.445  -0.375  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.206  -1.498   0.299  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.139  -0.176   0.428  1.00  0.00           C  
HETATM   18  C   UNL     1       1.095   0.456   0.294  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.280   0.563   0.699  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.446  -0.299   0.803  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.590   0.417   1.528  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.352   1.245   0.514  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.764   2.355  -0.042  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.358   2.747   0.362  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.388   1.702  -0.198  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.635   0.879   0.153  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.327   1.639  -0.774  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.736   2.756  -1.334  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.451   3.117  -0.969  1.00  0.00           C  
HETATM   30  H   UNL     1       6.486   5.115  -0.108  1.00  0.00           H  
HETATM   31  H   UNL     1       5.397   1.785  -1.198  1.00  0.00           H  
HETATM   32  H   UNL     1       5.690   1.598   0.548  1.00  0.00           H  
HETATM   33  H   UNL     1       3.288   2.021   0.996  1.00  0.00           H  
HETATM   34  H   UNL     1       2.996   2.207  -0.750  1.00  0.00           H  
HETATM   35  H   UNL     1       4.237  -0.292  -0.318  1.00  0.00           H  
HETATM   36  H   UNL     1       1.182   1.527   0.399  1.00  0.00           H  
HETATM   37  H   UNL     1       2.858  -3.971  -0.490  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.552  -6.004   0.042  1.00  0.00           H  
HETATM   39  H   UNL     1       0.380  -7.452  -0.437  1.00  0.00           H  
HETATM   40  H   UNL     1       2.631  -6.435  -0.706  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.775  -0.578  -0.198  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.178  -1.199   1.356  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.405   2.156  -0.321  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.749   1.362  -1.168  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.258  -0.319   1.977  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.185   1.067   2.303  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.095   0.007   0.591  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.118   3.728  -0.048  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.282   2.773   1.449  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.987   3.990  -1.405  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.330   1.359  -1.061  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.277   3.347  -2.058  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   30                                                 
CONECT    4    2    5   31   32                                       
CONECT    5    4    6   33   34                                       
CONECT    6    5    7   35                                            
CONECT    7    6    8    8   18                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   16   16                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   13   38                                       
CONECT   13   12   12   14   39                                       
CONECT   14   13   15   15   40                                       
CONECT   15   10   14   14   37                                       
CONECT   16    9    9   17                                            
CONECT   17   16   18   18   19                                       
CONECT   18    7   17   17   36                                       
CONECT   19   17   20   25                                            
CONECT   20   19   21   41   42                                       
CONECT   21   20   22   45   46                                       
CONECT   22   21   23   26   26                                       
CONECT   23   22   24   29   29                                       
CONECT   24   23   25   48   49                                       
CONECT   25   19   24   43   44                                       
CONECT   26   22   22   27   47                                       
CONECT   27   26   28   28   51                                       
CONECT   28   27   27   29   52                                       
CONECT   29   23   23   28   50                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   18                                                      
CONECT   37   15                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   26                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   29                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
