COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      31.065   0.002  31.143  1.00  0.00           C  
HETATM    2  C   UNL     1      35.826   0.180  31.024  1.00  0.00           C  
HETATM    3  C   UNL     1      35.848   0.194  35.774  1.00  0.00           C  
HETATM    4  C   UNL     1      31.154  -0.405  35.895  1.00  0.00           C  
HETATM    5  N   UNL     1      33.446   0.061  31.469  1.00  0.00           N  
HETATM    6  C   UNL     1      32.353   0.122  30.648  1.00  0.00           C  
HETATM    7  C   UNL     1      32.758   0.313  29.238  1.00  0.00           C  
HETATM    8  C   UNL     1      34.103   0.320  29.241  1.00  0.00           C  
HETATM    9  C   UNL     1      34.521   0.174  30.616  1.00  0.00           C  
HETATM   10  C   UNL     1      35.002   0.450  28.014  1.00  0.00           C  
HETATM   11  C   UNL     1      31.915   0.481  27.970  1.00  0.00           C  
HETATM   12  C   UNL     1      32.092   1.768  27.177  1.00  0.00           C  
HETATM   13  C   UNL     1      31.282   1.943  25.904  1.00  0.00           C  
HETATM   14  O   UNL     1      30.662   2.997  25.762  1.00  0.00           O  
HETATM   15  O   UNL     1      31.292   1.058  25.049  1.00  0.00           O  
HETATM   16  N   UNL     1      35.391  -0.031  33.402  1.00  0.00           N  
HETATM   17  C   UNL     1      36.229   0.085  32.324  1.00  0.00           C  
HETATM   18  C   UNL     1      37.582   0.230  32.758  1.00  0.00           C  
HETATM   19  C   UNL     1      37.596   0.143  34.081  1.00  0.00           C  
HETATM   20  C   UNL     1      36.240   0.014  34.483  1.00  0.00           C  
HETATM   21  C   UNL     1      38.774   0.624  31.938  1.00  0.00           C  
HETATM   22  C   UNL     1      38.687   0.294  34.894  1.00  0.00           C  
HETATM   23  C   UNL     1      38.962   1.610  35.383  1.00  0.00           C  
HETATM   24  N   UNL     1      33.474   0.005  35.357  1.00  0.00           N  
HETATM   25  C   UNL     1      34.549   0.268  36.158  1.00  0.00           C  
HETATM   26  C   UNL     1      34.195   0.276  37.519  1.00  0.00           C  
HETATM   27  C   UNL     1      32.955  -0.221  37.606  1.00  0.00           C  
HETATM   28  C   UNL     1      32.458  -0.229  36.251  1.00  0.00           C  
HETATM   29  C   UNL     1      35.052   0.857  38.615  1.00  0.00           C  
HETATM   30  C   UNL     1      32.517  -1.001  38.646  1.00  0.00           C  
HETATM   31  C   UNL     1      33.294  -2.194  38.954  1.00  0.00           C  
HETATM   32  N   UNL     1      31.503  -0.227  33.501  1.00  0.00           N  
HETATM   33  C   UNL     1      30.697  -0.394  34.607  1.00  0.00           C  
HETATM   34  C   UNL     1      29.304  -0.478  34.245  1.00  0.00           C  
HETATM   35  C   UNL     1      29.247  -0.330  32.914  1.00  0.00           C  
HETATM   36  C   UNL     1      30.634  -0.168  32.449  1.00  0.00           C  
HETATM   37  C   UNL     1      28.110  -0.688  35.172  1.00  0.00           C  
HETATM   38  C   UNL     1      27.936  -0.240  32.148  1.00  0.00           C  
HETATM   39  C   UNL     1      27.055  -1.471  32.005  1.00  0.00           C  
HETATM   40  C   UNL     1      25.725  -1.128  31.356  1.00  0.00           C  
HETATM   41  O   UNL     1      24.703  -1.130  32.045  1.00  0.00           O  
HETATM   42  O   UNL     1      25.718  -0.848  30.156  1.00  0.00           O  
HETATM   43  H   UNL     1      30.264   0.048  30.385  1.00  0.00           H  
HETATM   44  H   UNL     1      36.607   0.267  30.250  1.00  0.00           H  
HETATM   45  H   UNL     1      36.625   0.284  36.551  1.00  0.00           H  
HETATM   46  H   UNL     1      30.420  -0.567  36.702  1.00  0.00           H  
HETATM   47  H   UNL     1      33.456  -0.044  32.483  1.00  0.00           H  
HETATM   48  H   UNL     1      36.117   0.455  28.016  1.00  0.00           H  
HETATM   49  H   UNL     1      34.693  -0.357  27.310  1.00  0.00           H  
HETATM   50  H   UNL     1      34.683   1.379  27.487  1.00  0.00           H  
HETATM   51  H   UNL     1      32.080  -0.392  27.297  1.00  0.00           H  
HETATM   52  H   UNL     1      30.837   0.348  28.222  1.00  0.00           H  
HETATM   53  H   UNL     1      31.907   2.638  27.849  1.00  0.00           H  
HETATM   54  H   UNL     1      33.173   1.905  26.942  1.00  0.00           H  
HETATM   55  H   UNL     1      30.785   1.167  24.252  1.00  0.00           H  
HETATM   56  H   UNL     1      39.830   0.737  32.276  1.00  0.00           H  
HETATM   57  H   UNL     1      38.804  -0.092  31.084  1.00  0.00           H  
HETATM   58  H   UNL     1      38.504   1.593  31.457  1.00  0.00           H  
HETATM   59  H   UNL     1      39.304  -0.586  35.139  1.00  0.00           H  
HETATM   60  H   UNL     1      38.345   2.490  35.138  1.00  0.00           H  
HETATM   61  H   UNL     1      39.841   1.731  36.038  1.00  0.00           H  
HETATM   62  H   UNL     1      33.623  -0.744  34.681  1.00  0.00           H  
HETATM   63  H   UNL     1      34.771   0.863  39.694  1.00  0.00           H  
HETATM   64  H   UNL     1      36.051   0.367  38.541  1.00  0.00           H  
HETATM   65  H   UNL     1      35.274   1.911  38.330  1.00  0.00           H  
HETATM   66  H   UNL     1      31.609  -0.692  39.192  1.00  0.00           H  
HETATM   67  H   UNL     1      34.201  -2.502  38.407  1.00  0.00           H  
HETATM   68  H   UNL     1      32.941  -2.821  39.790  1.00  0.00           H  
HETATM   69  H   UNL     1      27.032  -0.753  34.892  1.00  0.00           H  
HETATM   70  H   UNL     1      28.331  -1.617  35.747  1.00  0.00           H  
HETATM   71  H   UNL     1      28.176   0.117  35.940  1.00  0.00           H  
HETATM   72  H   UNL     1      27.325   0.582  32.588  1.00  0.00           H  
HETATM   73  H   UNL     1      28.148   0.162  31.130  1.00  0.00           H  
HETATM   74  H   UNL     1      27.579  -2.287  31.455  1.00  0.00           H  
HETATM   75  H   UNL     1      26.911  -1.986  32.983  1.00  0.00           H  
HETATM   76  H   UNL     1      24.886  -0.633  29.750  1.00  0.00           H  
CONECT    1    6   36   36   43                                       
CONECT    2    9   17   17   44                                       
CONECT    3   20   25   25   45                                       
CONECT    4   28   28   33   46                                       
CONECT    5    6    9   47                                            
CONECT    6    1    5    7    7                                       
CONECT    7    6    6    8   11                                       
CONECT    8    7    9    9   10                                       
CONECT    9    2    5    8    8                                       
CONECT   10    8   48   49   50                                       
CONECT   11    7   12   51   52                                       
CONECT   12   11   13   53   54                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   55                                                 
CONECT   16   17   20   20                                            
CONECT   17    2    2   16   18                                       
CONECT   18   17   19   19   21                                       
CONECT   19   18   18   20   22                                       
CONECT   20    3   16   16   19                                       
CONECT   21   18   56   57   58                                       
CONECT   22   19   23   23   59                                       
CONECT   23   22   22   60   61                                       
CONECT   24   25   28   62                                            
CONECT   25    3    3   24   26                                       
CONECT   26   25   27   27   29                                       
CONECT   27   26   26   28   30                                       
CONECT   28    4    4   24   27                                       
CONECT   29   26   63   64   65                                       
CONECT   30   27   31   31   66                                       
CONECT   31   30   30   67   68                                       
CONECT   32   33   33   36                                            
CONECT   33    4   32   32   34                                       
CONECT   34   33   35   35   37                                       
CONECT   35   34   34   36   38                                       
CONECT   36    1    1   32   35                                       
CONECT   37   34   69   70   71                                       
CONECT   38   35   39   72   73                                       
CONECT   39   38   40   74   75                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   76                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   15                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   42                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
