COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.170  -0.120   0.485  1.00  0.00           C  
HETATM    2  C   UNL     1       2.907  -0.265  -0.849  1.00  0.00           C  
HETATM    3  C   UNL     1       2.808   2.184   0.673  1.00  0.00           C  
HETATM    4  C   UNL     1       4.090   0.707  -0.878  1.00  0.00           C  
HETATM    5  C   UNL     1       3.571   2.131  -0.653  1.00  0.00           C  
HETATM    6  C   UNL     1       3.095  -4.009  -1.625  1.00  0.00           C  
HETATM    7  C   UNL     1       2.589  -2.597  -1.480  1.00  0.00           C  
HETATM    8  O   UNL     1       1.453  -2.324  -1.806  1.00  0.00           O  
HETATM    9  N   UNL     1       3.399  -1.638  -0.989  1.00  0.00           N  
HETATM   10  O   UNL     1       1.741   1.234   0.646  1.00  0.00           O  
HETATM   11  O   UNL     1       1.032  -0.984   0.497  1.00  0.00           O  
HETATM   12  C   UNL     1       0.335  -1.009   1.744  1.00  0.00           C  
HETATM   13  C   UNL     1       0.919  -2.109   2.634  1.00  0.00           C  
HETATM   14  O   UNL     1       0.674  -3.384   2.038  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.148  -1.291   1.494  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.733  -0.191   0.604  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.216  -0.472   0.354  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.789   0.612  -0.378  1.00  0.00           O  
HETATM   19  P   UNL     1      -5.338   0.652  -0.817  1.00  0.00           P  
HETATM   20  O   UNL     1      -5.629  -0.533  -1.867  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.194   0.475   0.377  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.664   2.071  -1.506  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.035  -0.166  -0.642  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.846  -1.316   2.741  1.00  0.00           O  
HETATM   25  C   UNL     1       2.236   3.588   0.877  1.00  0.00           C  
HETATM   26  O   UNL     1       1.624   3.671   2.166  1.00  0.00           O  
HETATM   27  O   UNL     1       4.674   3.039  -0.607  1.00  0.00           O  
HETATM   28  O   UNL     1       4.741   0.629  -2.148  1.00  0.00           O  
HETATM   29  H   UNL     1       2.839  -0.389   1.302  1.00  0.00           H  
HETATM   30  H   UNL     1       2.226  -0.037  -1.668  1.00  0.00           H  
HETATM   31  H   UNL     1       3.487   1.946   1.492  1.00  0.00           H  
HETATM   32  H   UNL     1       4.796   0.447  -0.090  1.00  0.00           H  
HETATM   33  H   UNL     1       2.904   2.409  -1.469  1.00  0.00           H  
HETATM   34  H   UNL     1       3.392  -4.391  -0.648  1.00  0.00           H  
HETATM   35  H   UNL     1       2.305  -4.638  -2.035  1.00  0.00           H  
HETATM   36  H   UNL     1       3.954  -4.021  -2.296  1.00  0.00           H  
HETATM   37  H   UNL     1       4.307  -1.857  -0.728  1.00  0.00           H  
HETATM   38  H   UNL     1       0.443  -0.045   2.240  1.00  0.00           H  
HETATM   39  H   UNL     1       1.993  -1.957   2.739  1.00  0.00           H  
HETATM   40  H   UNL     1       0.448  -2.070   3.616  1.00  0.00           H  
HETATM   41  H   UNL     1       1.018  -4.129   2.549  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.257  -2.255   0.998  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.625   0.773   1.101  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.319  -1.393  -0.220  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.731  -0.580   1.308  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.101  -0.481  -2.676  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.581   2.165  -1.797  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.089  -0.994  -1.140  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.792  -0.488   3.238  1.00  0.00           H  
HETATM   50  H   UNL     1       3.040   4.322   0.809  1.00  0.00           H  
HETATM   51  H   UNL     1       1.492   3.793   0.108  1.00  0.00           H  
HETATM   52  H   UNL     1       1.239   4.535   2.364  1.00  0.00           H  
HETATM   53  H   UNL     1       4.418   3.961  -0.466  1.00  0.00           H  
HETATM   54  H   UNL     1       5.501   1.221  -2.237  1.00  0.00           H  
CONECT    1    2   10   11   29                                       
CONECT    2    4    9    1   30                                       
CONECT    3    5   25   10   31                                       
CONECT    4   28    5    2   32                                       
CONECT    5   27    4    3   33                                       
CONECT    6    7   34   35   36                                       
CONECT    7    8    8    9    6                                       
CONECT    8    7    7                                                 
CONECT    9    2    7   37                                            
CONECT   10    3    1                                                 
CONECT   11    1   12                                                 
CONECT   12   11   15   13   38                                       
CONECT   13   12   14   39   40                                       
CONECT   14   13   41                                                 
CONECT   15   16   12   24   42                                       
CONECT   16   23   17   15   43                                       
CONECT   17   18   16   44   45                                       
CONECT   18   19   17                                                 
CONECT   19   21   21   20   18                                       
CONECT   19   22                                                      
CONECT   20   19   46                                                 
CONECT   21   19   19                                                 
CONECT   22   19   47                                                 
CONECT   23   16   48                                                 
CONECT   24   15   49                                                 
CONECT   25    3   26   50   51                                       
CONECT   26   25   52                                                 
CONECT   27    5   53                                                 
CONECT   28    4   54                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
