COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.871  -0.983   1.783  1.00  0.00           N  
HETATM    2  O   UNL     1       4.499  -2.203   2.134  1.00  0.00           O  
HETATM    3  C   UNL     1       3.899  -0.554   0.506  1.00  0.00           C  
HETATM    4  O   UNL     1       4.536  -1.166  -0.326  1.00  0.00           O  
HETATM    5  C   UNL     1       3.138   0.685   0.110  1.00  0.00           C  
HETATM    6  C   UNL     1       3.934   1.457  -0.944  1.00  0.00           C  
HETATM    7  C   UNL     1       5.240   1.963  -0.328  1.00  0.00           C  
HETATM    8  C   UNL     1       6.092   2.627  -1.411  1.00  0.00           C  
HETATM    9  C   UNL     1       4.924   2.983   0.769  1.00  0.00           C  
HETATM   10  C   UNL     1       1.799   0.292  -0.459  1.00  0.00           C  
HETATM   11  O   UNL     1       1.633   0.272  -1.661  1.00  0.00           O  
HETATM   12  N   UNL     1       0.786  -0.038   0.366  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.544  -0.313  -0.181  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.578   0.459   0.598  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.236   1.170   1.519  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.840  -1.811  -0.074  1.00  0.00           C  
HETATM   17  C   UNL     1       0.096  -2.573  -0.976  1.00  0.00           C  
HETATM   18  O   UNL     1       0.814  -1.977  -1.744  1.00  0.00           O  
HETATM   19  O   UNL     1       0.132  -3.914  -0.927  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.881   0.360   0.271  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.886   1.111   1.028  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.255   0.828   0.465  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.002  -0.224   0.962  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.258  -0.484   0.446  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.766   0.308  -0.567  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.019   1.360  -1.064  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.765   1.622  -0.544  1.00  0.00           C  
HETATM   28  H   UNL     1       3.418  -0.458   2.461  1.00  0.00           H  
HETATM   29  H   UNL     1       4.427  -2.427   3.072  1.00  0.00           H  
HETATM   30  H   UNL     1       2.989   1.315   0.987  1.00  0.00           H  
HETATM   31  H   UNL     1       4.159   0.799  -1.783  1.00  0.00           H  
HETATM   32  H   UNL     1       3.345   2.305  -1.295  1.00  0.00           H  
HETATM   33  H   UNL     1       5.787   1.125   0.102  1.00  0.00           H  
HETATM   34  H   UNL     1       5.544   3.465  -1.842  1.00  0.00           H  
HETATM   35  H   UNL     1       7.022   2.987  -0.972  1.00  0.00           H  
HETATM   36  H   UNL     1       6.316   1.901  -2.193  1.00  0.00           H  
HETATM   37  H   UNL     1       4.377   3.821   0.339  1.00  0.00           H  
HETATM   38  H   UNL     1       4.318   2.510   1.541  1.00  0.00           H  
HETATM   39  H   UNL     1       5.855   3.343   1.208  1.00  0.00           H  
HETATM   40  H   UNL     1       0.938  -0.092   1.323  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.577  -0.010  -1.227  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.697  -2.136   0.956  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.870  -2.000  -0.375  1.00  0.00           H  
HETATM   44  H   UNL     1       0.748  -4.358  -1.525  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.155  -0.208  -0.466  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.853   0.808   2.074  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.675   2.178   0.952  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.605  -0.842   1.753  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.841  -1.306   0.833  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.747   0.104  -0.971  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.416   1.978  -1.855  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.183   2.447  -0.929  1.00  0.00           H  
CONECT    1    2    3   28                                            
CONECT    2    1   29                                                 
CONECT    3    1    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   10   30                                       
CONECT    6    5    7   31   32                                       
CONECT    7    6    8    9   33                                       
CONECT    8    7   34   35   36                                       
CONECT    9    7   37   38   39                                       
CONECT   10    5   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   13   40   10                                            
CONECT   13   12   14   16   41                                       
CONECT   14   13   15   15   20                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   42   43                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   44                                                 
CONECT   20   21   45   14                                            
CONECT   21   20   22   46   47                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   48                                       
CONECT   24   23   25   25   49                                       
CONECT   25   24   24   26   50                                       
CONECT   26   25   27   27   51                                       
CONECT   27   22   26   26   52                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
