COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     113.979 111.986 139.841  1.00  0.00           O  
HETATM    2  O   UNL     1     115.122 112.280 137.410  1.00  0.00           O  
HETATM    3  O   UNL     1     114.783 114.374 140.573  1.00  0.00           O  
HETATM    4  O   UNL     1     116.427 114.986 138.380  1.00  0.00           O  
HETATM    5  O   UNL     1     118.505 112.894 137.069  1.00  0.00           O  
HETATM    6  O   UNL     1     119.134 112.372 139.725  1.00  0.00           O  
HETATM    7  O   UNL     1     117.747 113.965 140.480  1.00  0.00           O  
HETATM    8  O   UNL     1     119.694 114.937 138.708  1.00  0.00           O  
HETATM    9  O   UNL     1     116.721 112.450 139.194  1.00  0.00           O  
HETATM   10  O   UNL     1     120.881 117.410 137.444  1.00  0.00           O  
HETATM   11  O   UNL     1     119.541 118.888 139.059  1.00  0.00           O  
HETATM   12  O   UNL     1     117.799 117.483 137.886  1.00  0.00           O  
HETATM   13  O   UNL     1     121.272 116.730 139.871  1.00  0.00           O  
HETATM   14  O   UNL     1     118.329 121.257 139.334  1.00  0.00           O  
HETATM   15  O   UNL     1     118.875 120.339 137.175  1.00  0.00           O  
HETATM   16  O   UNL     1     117.395 119.443 140.407  1.00  0.00           O  
HETATM   17  O   UNL     1     115.991 120.083 138.433  1.00  0.00           O  
HETATM   18  O   UNL     1     113.361 119.254 137.138  1.00  0.00           O  
HETATM   19  O   UNL     1     113.256 120.886 139.368  1.00  0.00           O  
HETATM   20  O   UNL     1     112.621 118.220 139.048  1.00  0.00           O  
HETATM   21  O   UNL     1     111.435 115.471 139.501  1.00  0.00           O  
HETATM   22  O   UNL     1     111.922 116.122 137.308  1.00  0.00           O  
HETATM   23  O   UNL     1     113.626 114.499 138.267  1.00  0.00           O  
HETATM   24  O   UNL     1     114.733 117.468 138.131  1.00  0.00           O  
HETATM   25  O   UNL     1     118.635 114.978 142.466  1.00  0.00           O  
HETATM   26  O   UNL     1     119.003 116.299 140.395  1.00  0.00           O  
HETATM   27  O   UNL     1     116.214 115.157 142.741  1.00  0.00           O  
HETATM   28  O   UNL     1     114.951 117.513 142.304  1.00  0.00           O  
HETATM   29  O   UNL     1     116.288 116.735 140.103  1.00  0.00           O  
HETATM   30  O   UNL     1     113.560 115.498 142.530  1.00  0.00           O  
HETATM   31  O   UNL     1     116.150 119.218 142.669  1.00  0.00           O  
HETATM   32  W   UNL     1     115.038 113.352 139.004  1.00  0.00           W  
HETATM   33  W   UNL     1     116.413 118.094 141.289  1.00  0.00           W  
HETATM   34  W   UNL     1     118.175 113.684 138.682  1.00  0.00           W  
HETATM   35  W   UNL     1     119.683 117.032 138.757  1.00  0.00           W  
HETATM   36  W   UNL     1     117.935 119.507 138.541  1.00  0.00           W  
HETATM   37  W   UNL     1     114.128 119.437 138.769  1.00  0.00           W  
HETATM   38  W   UNL     1     112.862 116.251 138.802  1.00  0.00           W  
HETATM   39  W   UNL     1     117.530 115.702 141.247  1.00  0.00           W  
HETATM   40  W   UNL     1     115.014 116.035 141.432  1.00  0.00           W  
HETATM   41  O   UNL     1     118.050 117.371 142.216  1.00  0.00           O  
HETATM   42  O   UNL     1     113.719 116.474 140.287  1.00  0.00           O  
HETATM   43  O   UNL     1     114.965 119.264 140.536  1.00  0.00           O  
HETATM   44  W   UNL     1     116.259 116.560 137.004  1.00  0.00           W  
HETATM   45  O   UNL     1     116.782 117.810 135.584  1.00  0.00           O  
HETATM   46  O   UNL     1     114.874 115.882 135.810  1.00  0.00           O  
HETATM   47  O   UNL     1     117.585 115.282 135.989  1.00  0.00           O  
CONECT    1   32                                                      
CONECT    2   32                                                      
CONECT    3   32   40                                                 
CONECT    4   32   34   44                                            
CONECT    5   34                                                      
CONECT    6   34                                                      
CONECT    7   34   39                                                 
CONECT    8   34   35                                                 
CONECT    9   32   34                                                 
CONECT   10   35                                                      
CONECT   11   35   36                                                 
CONECT   12   35   36   44                                            
CONECT   13   35                                                      
CONECT   14   36                                                      
CONECT   15   36                                                      
CONECT   16   33   36                                                 
CONECT   17   36   37                                                 
CONECT   18   37                                                      
CONECT   19   37                                                      
CONECT   20   37   38                                                 
CONECT   21   38                                                      
CONECT   22   38                                                      
CONECT   23   32   38                                                 
CONECT   24   37   38   44                                            
CONECT   25   39                                                      
CONECT   26   35   39                                                 
CONECT   27   39   40                                                 
CONECT   28   33   40                                                 
CONECT   29   33   39   40                                            
CONECT   30   40                                                      
CONECT   31   33                                                      
CONECT   32    1    2    3    4                                       
CONECT   32    9   23                                                 
CONECT   33   16   28   29   31                                       
CONECT   33   41   43                                                 
CONECT   34    4    5    6    7                                       
CONECT   34    8    9                                                 
CONECT   35    8   10   11   12                                       
CONECT   35   13   26                                                 
CONECT   36   11   12   14   15                                       
CONECT   36   16   17                                                 
CONECT   37   17   18   19   20                                       
CONECT   37   24   43                                                 
CONECT   38   20   21   22   23                                       
CONECT   38   24   42                                                 
CONECT   39    7   25   26   27                                       
CONECT   39   29   41                                                 
CONECT   40    3   27   28   29                                       
CONECT   40   30   42                                                 
CONECT   41   33   39                                                 
CONECT   42   38   40                                                 
CONECT   43   33   37                                                 
CONECT   44    4   12   24   45                                       
CONECT   44   46   47                                                 
CONECT   45   44                                                      
CONECT   46   44                                                      
CONECT   47   44                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
