COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.207   1.773   0.538  1.00  0.00           C  
HETATM    2  C   UNL     1       1.179   1.831   0.316  1.00  0.00           C  
HETATM    3  C   UNL     1       1.870   0.645   0.072  1.00  0.00           C  
HETATM    4  C   UNL     1       0.390   3.854   0.668  1.00  0.00           C  
HETATM    5  N   UNL     1       1.191  -0.496   0.058  1.00  0.00           N  
HETATM    6  N   UNL     1      -0.781  -1.735   0.248  1.00  0.00           N  
HETATM    7  N   UNL     1      -0.813   0.582   0.507  1.00  0.00           N  
HETATM    8  C   UNL     1       5.987  -1.720  -0.995  1.00  0.00           C  
HETATM    9  C   UNL     1       7.486  -1.508  -1.219  1.00  0.00           C  
HETATM   10  C   UNL     1       8.123  -0.977   0.067  1.00  0.00           C  
HETATM   11  C   UNL     1       7.471   0.353   0.448  1.00  0.00           C  
HETATM   12  C   UNL     1       5.972   0.140   0.672  1.00  0.00           C  
HETATM   13  C   UNL     1       5.335  -0.390  -0.613  1.00  0.00           C  
HETATM   14  C   UNL     1       3.836  -0.603  -0.389  1.00  0.00           C  
HETATM   15  O   UNL     1       3.207   0.657  -0.148  1.00  0.00           O  
HETATM   16  N   UNL     1       1.524   3.165   0.405  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.622   3.036   0.749  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.119  -0.517   0.272  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.176  -1.775   0.341  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.941  -0.822  -0.313  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.795  -2.773   1.084  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.173  -2.817   1.179  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.944  -1.869   0.536  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.332  -0.866  -0.217  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.156   0.147  -0.911  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.699   0.757  -1.859  1.00  0.00           O  
HETATM   27  N   UNL     1      -6.413   0.395  -0.493  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.147   1.547  -1.022  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.046  -0.488   0.489  1.00  0.00           C  
HETATM   30  H   UNL     1       0.333   4.925   0.795  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.277  -2.560   0.166  1.00  0.00           H  
HETATM   32  H   UNL     1       5.533  -2.098  -1.911  1.00  0.00           H  
HETATM   33  H   UNL     1       5.839  -2.442  -0.191  1.00  0.00           H  
HETATM   34  H   UNL     1       7.951  -2.455  -1.491  1.00  0.00           H  
HETATM   35  H   UNL     1       7.634  -0.786  -2.023  1.00  0.00           H  
HETATM   36  H   UNL     1       7.975  -1.698   0.870  1.00  0.00           H  
HETATM   37  H   UNL     1       9.191  -0.826  -0.093  1.00  0.00           H  
HETATM   38  H   UNL     1       7.925   0.731   1.364  1.00  0.00           H  
HETATM   39  H   UNL     1       7.619   1.074  -0.355  1.00  0.00           H  
HETATM   40  H   UNL     1       5.824  -0.581   1.476  1.00  0.00           H  
HETATM   41  H   UNL     1       5.507   1.088   0.944  1.00  0.00           H  
HETATM   42  H   UNL     1       5.483   0.331  -1.417  1.00  0.00           H  
HETATM   43  H   UNL     1       3.398  -1.064  -1.275  1.00  0.00           H  
HETATM   44  H   UNL     1       3.686  -1.255   0.471  1.00  0.00           H  
HETATM   45  H   UNL     1       2.412   3.539   0.297  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.463  -0.047  -0.894  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.197  -3.518   1.589  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.648  -3.595   1.758  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.021  -1.907   0.612  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.697   1.249  -1.915  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.847   1.909  -0.269  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.444   2.340  -1.277  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.392  -0.596   1.355  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.997  -0.060   0.804  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.219  -1.467   0.041  1.00  0.00           H  
CONECT    1   17    2    2    7                                       
CONECT    2   16    1    1    3                                       
CONECT    3    2   15    5    5                                       
CONECT    4   16   17   17   30                                       
CONECT    5    3    3   18                                            
CONECT    6   18   19   31                                            
CONECT    7    1   18   18                                            
CONECT    8    9   13   32   33                                       
CONECT    9    8   10   34   35                                       
CONECT   10    9   11   36   37                                       
CONECT   11   10   12   38   39                                       
CONECT   12   13   11   40   41                                       
CONECT   13    8   14   12   42                                       
CONECT   14   15   13   43   44                                       
CONECT   15    3   14                                                 
CONECT   16    4    2   45                                            
CONECT   17    4    4    1                                            
CONECT   18    7    7    5    6                                       
CONECT   19    6   20   20   21                                       
CONECT   20   19   19   24   46                                       
CONECT   21   19   22   22   47                                       
CONECT   22   21   21   23   48                                       
CONECT   23   24   24   22   49                                       
CONECT   24   20   25   23   23                                       
CONECT   25   27   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   29   28   25                                            
CONECT   28   27   50   51   52                                       
CONECT   29   27   53   54   55                                       
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
