COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      17.459  74.038  43.359  1.00  0.00           C  
HETATM    2  C   UNL     1      17.175  74.293  44.694  1.00  0.00           C  
HETATM    3  C   UNL     1      17.196  75.599  45.183  1.00  0.00           C  
HETATM    4  C   UNL     1      17.507  76.662  44.337  1.00  0.00           C  
HETATM    5  C   UNL     1      17.791  76.402  42.998  1.00  0.00           C  
HETATM    6  C   UNL     1      17.760  75.095  42.500  1.00  0.00           C  
HETATM    7  C   UNL     1      18.083  74.826  41.168  1.00  0.00           C  
HETATM    8  C   UNL     1      17.676  73.873  40.331  1.00  0.00           C  
HETATM    9  N   UNL     1      18.312  74.018  39.160  1.00  0.00           N  
HETATM   10  C   UNL     1      19.149  75.051  39.230  1.00  0.00           C  
HETATM   11  C   UNL     1      20.103  75.611  38.158  1.00  0.00           C  
HETATM   12  N   UNL     1      19.031  75.589  40.515  1.00  0.00           N  
HETATM   13  C   UNL     1      19.783  76.756  40.987  1.00  0.00           C  
HETATM   14  C   UNL     1      20.971  76.971  40.104  1.00  0.00           C  
HETATM   15  N   UNL     1      20.587  76.886  38.676  1.00  0.00           N  
HETATM   16  C   UNL     1      20.684  78.016  37.988  1.00  0.00           C  
HETATM   17  O   UNL     1      21.123  78.971  38.634  1.00  0.00           O  
HETATM   18  C   UNL     1      20.473  78.251  36.497  1.00  0.00           C  
HETATM   19  S   UNL     1      20.187  79.775  35.880  1.00  0.00           S  
HETATM   20  C   UNL     1      20.642  77.405  35.475  1.00  0.00           C  
HETATM   21  C   UNL     1      20.486  77.973  34.249  1.00  0.00           C  
HETATM   22  C   UNL     1      20.220  79.297  34.265  1.00  0.00           C  
HETATM   23  C   UNL     1      20.018  80.286  33.078  1.00  0.00           C  
HETATM   24  C   UNL     1      19.611  79.632  31.757  1.00  0.00           C  
HETATM   25  F   UNL     1      20.443  78.642  31.446  1.00  0.00           F  
HETATM   26  F   UNL     1      18.369  79.216  31.845  1.00  0.00           F  
HETATM   27  F   UNL     1      19.667  80.543  30.812  1.00  0.00           F  
HETATM   28  O   UNL     1      21.275  80.991  32.833  1.00  0.00           O  
HETATM   29  O   UNL     1      19.066  81.314  33.417  1.00  0.00           O  
HETATM   30  H   UNL     1      17.447  73.024  42.987  1.00  0.00           H  
HETATM   31  H   UNL     1      16.936  73.475  45.358  1.00  0.00           H  
HETATM   32  H   UNL     1      16.970  75.787  46.222  1.00  0.00           H  
HETATM   33  H   UNL     1      17.528  77.674  44.714  1.00  0.00           H  
HETATM   34  H   UNL     1      18.038  77.219  42.337  1.00  0.00           H  
HETATM   35  H   UNL     1      16.950  73.107  40.559  1.00  0.00           H  
HETATM   36  H   UNL     1      20.941  74.920  37.985  1.00  0.00           H  
HETATM   37  H   UNL     1      19.591  75.739  37.193  1.00  0.00           H  
HETATM   38  H   UNL     1      19.137  77.646  40.957  1.00  0.00           H  
HETATM   39  H   UNL     1      20.119  76.584  42.020  1.00  0.00           H  
HETATM   40  H   UNL     1      21.391  77.968  40.304  1.00  0.00           H  
HETATM   41  H   UNL     1      21.715  76.190  40.317  1.00  0.00           H  
HETATM   42  H   UNL     1      20.882  76.361  35.611  1.00  0.00           H  
HETATM   43  H   UNL     1      20.569  77.408  33.332  1.00  0.00           H  
HETATM   44  H   UNL     1      21.376  81.144  31.901  1.00  0.00           H  
HETATM   45  H   UNL     1      18.857  81.260  34.342  1.00  0.00           H  
CONECT    1    2    6    6   30                                       
CONECT    2    1    3    3   31                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3    5    5   33                                       
CONECT    5    4    4    6   34                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   12                                       
CONECT   11   10   15   36   37                                       
CONECT   12    7   10   13                                            
CONECT   13   12   14   38   39                                       
CONECT   14   13   15   40   41                                       
CONECT   15   11   14   16                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   20   20                                       
CONECT   19   18   22                                                 
CONECT   20   18   18   21   42                                       
CONECT   21   20   22   22   43                                       
CONECT   22   19   21   21   23                                       
CONECT   23   22   24   28   29                                       
CONECT   24   23   25   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   23   44                                                 
CONECT   29   23   45                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
