COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.056   4.321  -1.177  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.169  -3.140   0.059  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.826  -2.092   1.120  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.329  -1.934   1.204  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.433  -4.444   0.374  1.00  0.00           C  
HETATM    6  CA  UNL     1       1.775  -1.044   0.359  1.00  0.00           C  
HETATM    7  C   UNL     1       2.226   0.129  -0.473  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.678  -3.392   0.061  1.00  0.00           C  
HETATM    9  CA  UNL     1       3.953   1.660  -1.254  1.00  0.00           C  
HETATM   10  C   UNL     1       5.200   2.283  -0.624  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.928   3.230  -2.017  1.00  0.00           C  
HETATM   12  C   UNL     1       4.842   2.871   0.743  1.00  0.00           C  
HETATM   13  C   UNL     1       6.080   3.535   1.388  1.00  0.00           C  
HETATM   14  C   UNL     1       6.636   2.386   2.258  1.00  0.00           C  
HETATM   15  C   UNL     1       2.708  -1.399  -2.509  1.00  0.00           C  
HETATM   16  C   UNL     1       4.465   1.770   1.710  1.00  0.00           C  
HETATM   17  C   UNL     1       4.281   1.183  -2.671  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.516   2.012  -1.509  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.369  -2.544   2.477  1.00  0.00           C  
HETATM   20  C   UNL     1       2.361  -2.334  -0.218  1.00  0.00           C  
HETATM   21  C   UNL     1       1.967  -2.458  -1.691  1.00  0.00           C  
HETATM   22  C   UNL     1       0.458  -2.250  -1.835  1.00  0.00           C  
HETATM   23  C   UNL     1       2.340  -3.851  -2.203  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.233   1.884  -0.162  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.361   2.975   0.677  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.767   4.195   0.169  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.785   0.556   0.391  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.772  -0.664   0.785  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.432  -0.810   0.753  1.00  0.00           N  
HETATM   30  N   UNL     1       0.312  -1.121   0.342  1.00  0.00           N  
HETATM   31  N   UNL     1       3.515   0.520  -0.445  1.00  0.00           N  
HETATM   32  N   UNL     1       5.485   1.523   2.550  1.00  0.00           N  
HETATM   33  O   UNL     1       3.398   1.194   1.725  1.00  0.00           O  
HETATM   34  O   UNL     1       5.402   0.297  -2.628  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.469  -1.555   1.227  1.00  0.00           O  
HETATM   36  O   UNL     1       0.297  -2.539   2.048  1.00  0.00           O  
HETATM   37  O   UNL     1       1.428   0.721  -1.169  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.337   0.468   0.326  1.00  0.00           O  
HETATM   39  H   UNL     1      -7.377   5.273  -1.573  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.863  -2.778  -0.922  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.797  -4.847   1.319  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.615  -5.165  -0.423  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.364  -4.249   0.449  1.00  0.00           H  
HETATM   44  HA  UNL     1       2.120  -0.915   1.385  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.191  -2.530  -0.363  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.899  -4.277  -0.537  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.019  -3.551   1.084  1.00  0.00           H  
HETATM   48  HA  UNL     1       3.157   2.403  -1.296  1.00  0.00           H  
HETATM   49  H   UNL     1       5.966   1.518  -0.501  1.00  0.00           H  
HETATM   50  H   UNL     1       5.578   3.074  -1.272  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.150   3.330  -3.069  1.00  0.00           H  
HETATM   52  H   UNL     1       4.028   3.589   0.646  1.00  0.00           H  
HETATM   53  H   UNL     1       6.803   3.834   0.628  1.00  0.00           H  
HETATM   54  H   UNL     1       5.790   4.386   2.004  1.00  0.00           H  
HETATM   55  H   UNL     1       7.395   1.830   1.709  1.00  0.00           H  
HETATM   56  H   UNL     1       3.768  -1.421  -2.256  1.00  0.00           H  
HETATM   57  H   UNL     1       2.584  -1.607  -3.572  1.00  0.00           H  
HETATM   58  H   UNL     1       2.301  -0.414  -2.282  1.00  0.00           H  
HETATM   59  H1  UNL     1       3.421   0.660  -3.087  1.00  0.00           H  
HETATM   60  H2  UNL     1       4.522   2.043  -3.296  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.417   1.160  -2.165  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.918  -3.498   2.750  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.124  -1.797   3.233  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.451  -2.658   2.416  1.00  0.00           H  
HETATM   65  H   UNL     1       3.447  -2.310  -0.133  1.00  0.00           H  
HETATM   66  H   UNL     1       1.972  -3.189   0.335  1.00  0.00           H  
HETATM   67  H   UNL     1       0.229  -1.187  -1.755  1.00  0.00           H  
HETATM   68  H   UNL     1       0.131  -2.620  -2.807  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.061  -2.794  -1.046  1.00  0.00           H  
HETATM   70  H   UNL     1       1.812  -4.606  -1.621  1.00  0.00           H  
HETATM   71  H   UNL     1       2.060  -3.940  -3.253  1.00  0.00           H  
HETATM   72  H   UNL     1       3.415  -4.000  -2.101  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.139   2.875   1.730  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.867   5.047   0.825  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.108   0.467   1.428  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.224  -0.249  -0.198  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.869  -0.065   0.488  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.194  -0.587  -0.289  1.00  0.00           H  
HETATM   79  H   UNL     1       4.153   0.046   0.111  1.00  0.00           H  
HETATM   80  H   UNL     1       5.666  -0.044  -3.493  1.00  0.00           H  
HETATM   81  H   UNL     1       7.054   2.783   3.184  1.00  0.00           H  
HETATM   82  H   UNL     1       5.463   0.860   3.257  1.00  0.00           H  
CONECT    1   26   26   11   39                                       
CONECT    2    5    3    8   40                                       
CONECT    3   19    2   29    4                                       
CONECT    4    3   30   36   36                                       
CONECT    5    2   41   42   43                                       
CONECT    6   30   20    7   44                                       
CONECT    7   37   37    6   31                                       
CONECT    8    2   45   46   47                                       
CONECT    9   31   17   10   48                                       
CONECT   10    9   12   49   50                                       
CONECT   11    1   18   18   51                                       
CONECT   12   13   10   16   52                                       
CONECT   13   14   12   53   54                                       
CONECT   14   13   32   55   81                                       
CONECT   15   21   56   57   58                                       
CONECT   16   12   32   33   33                                       
CONECT   17    9   34   59   60                                       
CONECT   18   11   11   24   61                                       
CONECT   19    3   62   63   64                                       
CONECT   20    6   21   65   66                                       
CONECT   21   22   20   23   15                                       
CONECT   22   21   67   68   69                                       
CONECT   23   21   70   71   72                                       
CONECT   24   25   25   18   27                                       
CONECT   25   26   24   24   73                                       
CONECT   26    1    1   25   74                                       
CONECT   27   24   38   75   76                                       
CONECT   28   29   38   35   35                                       
CONECT   29    3   28   77                                            
CONECT   30    4    6   78                                            
CONECT   31    7    9   79                                            
CONECT   32   14   16   82                                            
CONECT   33   16   16                                                 
CONECT   34   17   80                                                 
CONECT   35   28   28                                                 
CONECT   36    4    4                                                 
CONECT   37    7    7                                                 
CONECT   38   28   27                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   34                                                      
CONECT   81   14                                                      
CONECT   82   32                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
