COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.954  -3.205   0.570  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.907  -2.095   0.075  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.124  -1.260   0.018  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.330  -1.744   0.531  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.462  -0.962   0.477  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.407   0.306  -0.089  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.559   1.098  -0.142  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.801   0.775   0.318  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.582   1.791   0.070  1.00  0.00           N  
HETATM   10  N   UNL     1      -6.914   2.724  -0.511  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.672   2.354  -0.660  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.208   0.791  -0.601  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.071   0.017  -0.545  1.00  0.00           C  
HETATM   14  N   UNL     1       0.257  -1.625  -0.416  1.00  0.00           N  
HETATM   15  C   UNL     1       1.465  -2.451  -0.354  1.00  0.00           C  
HETATM   16  C   UNL     1       1.235  -3.749  -1.130  1.00  0.00           C  
HETATM   17  C   UNL     1       2.639  -1.686  -0.975  1.00  0.00           C  
HETATM   18  C   UNL     1       2.997  -0.539  -0.062  1.00  0.00           C  
HETATM   19  C   UNL     1       3.749   0.574  -0.335  1.00  0.00           C  
HETATM   20  C   UNL     1       4.412   0.999  -1.510  1.00  0.00           C  
HETATM   21  O   UNL     1       4.382   0.267  -2.654  1.00  0.00           O  
HETATM   22  C   UNL     1       5.088   2.191  -1.432  1.00  0.00           C  
HETATM   23  C   UNL     1       5.108   2.934  -0.244  1.00  0.00           C  
HETATM   24  C   UNL     1       1.782  -2.780   1.107  1.00  0.00           C  
HETATM   25  C   UNL     1       1.733  -1.498   1.946  1.00  0.00           C  
HETATM   26  C   UNL     1       2.584  -0.452   1.267  1.00  0.00           C  
HETATM   27  N   UNL     1       3.053   0.658   1.791  1.00  0.00           N  
HETATM   28  N   UNL     1       3.789   1.331   0.822  1.00  0.00           N  
HETATM   29  C   UNL     1       4.469   2.517   0.877  1.00  0.00           C  
HETATM   30  C   UNL     1       4.507   3.334   2.142  1.00  0.00           C  
HETATM   31  H   UNL     1      -3.374  -2.730   0.970  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.395  -1.336   0.873  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.087  -0.150   0.798  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.880   2.935  -1.111  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.169   1.777  -1.039  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.139   0.396  -0.939  1.00  0.00           H  
HETATM   37  H   UNL     1       0.294  -0.740  -0.810  1.00  0.00           H  
HETATM   38  H   UNL     1       1.008  -3.516  -2.170  1.00  0.00           H  
HETATM   39  H   UNL     1       2.134  -4.364  -1.084  1.00  0.00           H  
HETATM   40  H   UNL     1       0.400  -4.293  -0.688  1.00  0.00           H  
HETATM   41  H   UNL     1       3.496  -2.351  -1.082  1.00  0.00           H  
HETATM   42  H   UNL     1       2.349  -1.299  -1.953  1.00  0.00           H  
HETATM   43  H   UNL     1       4.872   0.662  -3.387  1.00  0.00           H  
HETATM   44  H   UNL     1       5.612   2.562  -2.300  1.00  0.00           H  
HETATM   45  H   UNL     1       5.651   3.867  -0.220  1.00  0.00           H  
HETATM   46  H   UNL     1       1.048  -3.491   1.487  1.00  0.00           H  
HETATM   47  H   UNL     1       2.778  -3.218   1.172  1.00  0.00           H  
HETATM   48  H   UNL     1       0.704  -1.145   2.017  1.00  0.00           H  
HETATM   49  H   UNL     1       2.123  -1.697   2.944  1.00  0.00           H  
HETATM   50  H   UNL     1       5.364   3.032   2.745  1.00  0.00           H  
HETATM   51  H   UNL     1       4.595   4.391   1.890  1.00  0.00           H  
HETATM   52  H   UNL     1       3.589   3.171   2.708  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   14    3                                       
CONECT    3    2   13   13    4                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   32                                       
CONECT    6   12   12    5    7                                       
CONECT    7    6    8   11                                            
CONECT    8    7    9    9   33                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   11                                            
CONECT   11    7   10   10   34                                       
CONECT   12   13    6    6   35                                       
CONECT   13    3    3   12   36                                       
CONECT   14    2   15   37                                            
CONECT   15   16   24   14   17                                       
CONECT   16   15   38   39   40                                       
CONECT   17   15   18   41   42                                       
CONECT   18   17   26   19   19                                       
CONECT   19   18   18   28   20                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   43                                                 
CONECT   22   20   20   23   44                                       
CONECT   23   29   29   22   45                                       
CONECT   24   15   25   46   47                                       
CONECT   25   24   26   48   49                                       
CONECT   26   25   18   27   27                                       
CONECT   27   26   26   28                                            
CONECT   28   27   19   29                                            
CONECT   29   28   30   23   23                                       
CONECT   30   29   50   51   52                                       
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
