COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     107.975  53.515  71.118  1.00  0.00           C  
HETATM    2  C   UNL     1     108.679  54.265  72.051  1.00  0.00           C  
HETATM    3  C   UNL     1     110.058  54.272  72.027  1.00  0.00           C  
HETATM    4  C   UNL     1     110.755  53.522  71.053  1.00  0.00           C  
HETATM    5  C   UNL     1     110.068  52.792  70.138  1.00  0.00           C  
HETATM    6  C   UNL     1     108.667  52.786  70.164  1.00  0.00           C  
HETATM    7  N   UNL     1     112.064  53.379  70.831  1.00  0.00           N  
HETATM    8  C   UNL     1     112.276  52.588  69.821  1.00  0.00           C  
HETATM    9  C   UNL     1     111.059  52.167  69.324  1.00  0.00           C  
HETATM   10  C   UNL     1     113.613  52.168  69.251  1.00  0.00           C  
HETATM   11  C   UNL     1     110.821  51.257  68.155  1.00  0.00           C  
HETATM   12  C   UNL     1     110.251  49.948  68.606  1.00  0.00           C  
HETATM   13  O   UNL     1     109.095  49.821  68.829  1.00  0.00           O  
HETATM   14  C   UNL     1     113.056  53.960  71.659  1.00  0.00           C  
HETATM   15  O   UNL     1     112.793  54.256  72.774  1.00  0.00           O  
HETATM   16  C   UNL     1     114.404  54.294  71.087  1.00  0.00           C  
HETATM   17  B   UNL     1     115.453  54.879  72.314  1.00  0.00           B  
HETATM   18  B   UNL     1     117.024  54.473  71.708  1.00  0.00           B  
HETATM   19  B   UNL     1     117.216  55.300  70.200  1.00  0.00           B  
HETATM   20  B   UNL     1     116.409  56.082  71.517  1.00  0.00           B  
HETATM   21  B   UNL     1     114.706  55.978  71.206  1.00  0.00           B  
HETATM   22  C   UNL     1     114.437  55.224  69.683  1.00  0.00           C  
HETATM   23  B   UNL     1     115.715  53.339  71.576  1.00  0.00           B  
HETATM   24  B   UNL     1     116.757  53.626  70.219  1.00  0.00           B  
HETATM   25  B   UNL     1     115.995  54.733  69.104  1.00  0.00           B  
HETATM   26  B   UNL     1     115.804  56.261  69.902  1.00  0.00           B  
HETATM   27  O   UNL     1     106.578  53.448  71.073  1.00  0.00           O  
HETATM   28  C   UNL     1     105.831  54.193  71.995  1.00  0.00           C  
HETATM   29  O   UNL     1     111.055  48.837  68.752  1.00  0.00           O  
HETATM   30  C   UNL     1     110.696  47.903  67.776  1.00  0.00           C  
HETATM   31  H   UNL     1     108.148  54.842  72.794  1.00  0.00           H  
HETATM   32  H   UNL     1     110.606  54.852  72.754  1.00  0.00           H  
HETATM   33  H   UNL     1     108.121  52.208  69.433  1.00  0.00           H  
HETATM   34  H   UNL     1     113.956  51.252  69.755  1.00  0.00           H  
HETATM   35  H   UNL     1     113.508  51.976  68.173  1.00  0.00           H  
HETATM   36  H   UNL     1     114.348  52.971  69.410  1.00  0.00           H  
HETATM   37  H   UNL     1     110.115  51.738  67.462  1.00  0.00           H  
HETATM   38  H   UNL     1     111.775  51.076  67.639  1.00  0.00           H  
HETATM   39  H   UNL     1     104.758  54.025  71.819  1.00  0.00           H  
HETATM   40  H   UNL     1     106.089  53.877  73.017  1.00  0.00           H  
HETATM   41  H   UNL     1     106.060  55.262  71.873  1.00  0.00           H  
HETATM   42  H   UNL     1     111.327  47.007  67.875  1.00  0.00           H  
HETATM   43  H   UNL     1     109.640  47.624  67.907  1.00  0.00           H  
HETATM   44  H   UNL     1     110.838  48.343  66.778  1.00  0.00           H  
CONECT    1    2    2    6   27                                       
CONECT    2    1    1    3   31                                       
CONECT    3    2    4    4   32                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6    9                                       
CONECT    6    1    5    5   33                                       
CONECT    7    4    8   14                                            
CONECT    8    7    9    9   10                                       
CONECT    9    5    8    8   11                                       
CONECT   10    8   34   35   36                                       
CONECT   11    9   12   37   38                                       
CONECT   12   11   13   13   29                                       
CONECT   13   12   12                                                 
CONECT   14    7   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   21   22                                       
CONECT   16   23                                                      
CONECT   17   16   18   20   21                                       
CONECT   17   23                                                      
CONECT   18   17   19   20   23                                       
CONECT   18   24                                                      
CONECT   19   18   20   24   25                                       
CONECT   19   26                                                      
CONECT   20   17   18   19   21                                       
CONECT   20   26                                                      
CONECT   21   16   17   20   22                                       
CONECT   21   26                                                      
CONECT   22   16   21   25   26                                       
CONECT   23   16   17   18   24                                       
CONECT   24   18   19   23   25                                       
CONECT   25   19   22   24   26                                       
CONECT   26   19   20   21   22                                       
CONECT   26   25                                                      
CONECT   27    1   28                                                 
CONECT   28   27   39   40   41                                       
CONECT   29   12   30                                                 
CONECT   30   29   42   43   44                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   28                                                      
CONECT   40   28                                                      
CONECT   41   28                                                      
CONECT   42   30                                                      
CONECT   43   30                                                      
CONECT   44   30                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
