COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.578   0.775   0.179  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.435  -0.057   1.281  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.010  -1.313   1.276  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.729  -1.742   0.175  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.873  -0.915  -0.924  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.300   0.342  -0.925  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.502   1.045   0.077  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.894   0.952   0.072  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.661   2.099   0.189  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.045   3.337   0.311  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.666   3.431   0.317  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.892   2.294   0.201  1.00  0.00           C  
HETATM   13  C   UNL     1       7.594  -0.121   0.279  1.00  0.00           C  
HETATM   14  C   UNL     1       8.184  -0.434   1.489  1.00  0.00           C  
HETATM   15  C   UNL     1       9.502  -0.090   1.725  1.00  0.00           C  
HETATM   16  C   UNL     1      10.230   0.568   0.751  1.00  0.00           C  
HETATM   17  C   UNL     1       9.640   0.881  -0.459  1.00  0.00           C  
HETATM   18  C   UNL     1       8.322   0.538  -0.695  1.00  0.00           C  
HETATM   19  N   UNL     1       3.844   0.299   0.143  1.00  0.00           N  
HETATM   20  C   UNL     1       5.248   0.677   0.369  1.00  0.00           C  
HETATM   21  C   UNL     1       5.581   1.870  -0.533  1.00  0.00           C  
HETATM   22  N   UNL     1       4.604   2.943  -0.301  1.00  0.00           N  
HETATM   23  C   UNL     1       3.248   2.518  -0.672  1.00  0.00           C  
HETATM   24  C   UNL     1       2.819   1.351   0.223  1.00  0.00           C  
HETATM   25  C   UNL     1       0.184  -2.626  -0.282  1.00  0.00           C  
HETATM   26  C   UNL     1       1.053  -0.440  -0.089  1.00  0.00           C  
HETATM   27  N   UNL     1       2.209  -1.339  -0.166  1.00  0.00           N  
HETATM   28  C   UNL     1       1.690  -2.703  -0.294  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.903  -3.355  -0.349  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.013  -2.505  -0.266  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.554  -1.233  -0.147  1.00  0.00           C  
HETATM   32  C   UNL     1       2.167  -3.318  -1.610  1.00  0.00           C  
HETATM   33  C   UNL     1       2.174  -3.554   0.882  1.00  0.00           C  
HETATM   34  C   UNL     1       3.507  -0.976  -0.135  1.00  0.00           C  
HETATM   35  O   UNL     1       4.373  -1.799  -0.358  1.00  0.00           O  
HETATM   36  C   UNL     1       4.987   4.167  -1.016  1.00  0.00           C  
HETATM   37  C   UNL     1       6.159  -0.502   0.019  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.332  -0.082  -0.035  1.00  0.00           N  
HETATM   39  C   UNL     1      -3.677  -0.175  -0.041  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.210  -1.263  -0.143  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.018   2.012   0.183  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.192  -1.287  -0.162  1.00  0.00           C  
HETATM   43  H   UNL     1      -7.874   0.277   2.141  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.413   0.987  -1.783  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.899  -1.960   2.133  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.177  -2.724   0.173  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.434  -1.252  -1.783  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.372  -0.012  -0.024  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.815   2.371   0.206  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.646   4.230   0.402  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.193   4.397   0.413  1.00  0.00           H  
HETATM   52  H   UNL     1       7.616  -0.948   2.250  1.00  0.00           H  
HETATM   53  H   UNL     1       7.861   0.782  -1.640  1.00  0.00           H  
HETATM   54  H   UNL     1       6.036  -0.757  -1.033  1.00  0.00           H  
HETATM   55  H   UNL     1       5.894  -1.361   0.635  1.00  0.00           H  
HETATM   56  H   UNL     1       9.963  -0.335   2.671  1.00  0.00           H  
HETATM   57  H   UNL     1      11.259   0.837   0.936  1.00  0.00           H  
HETATM   58  H   UNL     1      10.208   1.395  -1.220  1.00  0.00           H  
HETATM   59  H   UNL     1       5.389   0.955   1.413  1.00  0.00           H  
HETATM   60  H   UNL     1       1.863   0.957  -0.122  1.00  0.00           H  
HETATM   61  H   UNL     1       2.727   1.694   1.254  1.00  0.00           H  
HETATM   62  H   UNL     1       6.582   2.233  -0.299  1.00  0.00           H  
HETATM   63  H   UNL     1       5.540   1.561  -1.577  1.00  0.00           H  
HETATM   64  H   UNL     1       2.557   3.350  -0.540  1.00  0.00           H  
HETATM   65  H   UNL     1       3.240   2.199  -1.714  1.00  0.00           H  
HETATM   66  H   UNL     1       5.034   3.963  -2.086  1.00  0.00           H  
HETATM   67  H   UNL     1       4.247   4.945  -0.827  1.00  0.00           H  
HETATM   68  H   UNL     1       5.964   4.502  -0.667  1.00  0.00           H  
HETATM   69  H   UNL     1       1.068   0.102   0.856  1.00  0.00           H  
HETATM   70  H   UNL     1       1.077   0.265  -0.920  1.00  0.00           H  
HETATM   71  H   UNL     1       1.810  -2.714  -2.444  1.00  0.00           H  
HETATM   72  H   UNL     1       3.257  -3.348  -1.624  1.00  0.00           H  
HETATM   73  H   UNL     1       1.775  -4.331  -1.702  1.00  0.00           H  
HETATM   74  H   UNL     1       1.850  -4.586   0.742  1.00  0.00           H  
HETATM   75  H   UNL     1       3.262  -3.519   0.933  1.00  0.00           H  
HETATM   76  H   UNL     1       1.753  -3.165   1.810  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.944  -2.777  -0.290  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.906   0.785   0.046  1.00  0.00           H  
CONECT    1    2    6    6   41                                       
CONECT    2    1    3    3   43                                       
CONECT    3    2    2    4   45                                       
CONECT    4    3    5    5   46                                       
CONECT    5    4    4    6   47                                       
CONECT    6    1    1    5   44                                       
CONECT    7    8   12   12   39                                       
CONECT    8    7    9    9   48                                       
CONECT    9    8    8   10   41                                       
CONECT   10    9   11   11   50                                       
CONECT   11   10   10   12   51                                       
CONECT   12    7    7   11   49                                       
CONECT   13   14   18   18   37                                       
CONECT   14   13   15   15   52                                       
CONECT   15   14   14   16   56                                       
CONECT   16   15   17   17   57                                       
CONECT   17   16   16   18   58                                       
CONECT   18   13   13   17   53                                       
CONECT   19   20   24   34                                            
CONECT   20   19   21   37   59                                       
CONECT   21   20   22   62   63                                       
CONECT   22   21   23   36                                            
CONECT   23   22   24   64   65                                       
CONECT   24   19   23   60   61                                       
CONECT   25   28   29   29   42                                       
CONECT   26   27   42   69   70                                       
CONECT   27   26   28   34                                            
CONECT   28   25   27   32   33                                       
CONECT   29   25   25   30                                            
CONECT   30   29   31   77                                            
CONECT   31   30   38   42   42                                       
CONECT   32   28   71   72   73                                       
CONECT   33   28   74   75   76                                       
CONECT   34   19   27   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   22   66   67   68                                       
CONECT   37   13   20   54   55                                       
CONECT   38   31   39   78                                            
CONECT   39    7   38   40   40                                       
CONECT   40   39   39                                                 
CONECT   41    1    9                                                 
CONECT   42   25   26   31   31                                       
CONECT   43    2                                                      
CONECT   44    6                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49   12                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   14                                                      
CONECT   53   18                                                      
CONECT   54   37                                                      
CONECT   55   37                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   20                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   30                                                      
CONECT   78   38                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
