COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.215   2.188   1.565  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.825   1.477   0.268  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.464   2.198  -0.921  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.521   2.620   0.042  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.181  -0.043  -0.218  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.784  -0.553  -0.468  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.338  -0.992   0.929  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.211  -2.022   0.799  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.476  -0.912  -1.350  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.611   0.105  -1.197  1.00  0.00           C  
HETATM   11  C   UNL     1       1.131  -1.413   0.427  1.00  0.00           C  
HETATM   12  O   UNL     1       1.397  -1.858   1.526  1.00  0.00           O  
HETATM   13  C   UNL     1       3.447  -0.879   0.213  1.00  0.00           C  
HETATM   14  C   UNL     1       4.220  -2.162  -0.194  1.00  0.00           C  
HETATM   15  C   UNL     1       5.693  -1.707  -0.152  1.00  0.00           C  
HETATM   16  C   UNL     1       4.313   0.226  -0.443  1.00  0.00           C  
HETATM   17  C   UNL     1       6.799   0.540  -0.281  1.00  0.00           C  
HETATM   18  C   UNL     1       8.164  -0.077  -0.116  1.00  0.00           C  
HETATM   19  C   UNL     1       9.227   1.024  -0.139  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.773  -1.813  -0.065  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.083  -3.288  -0.042  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.500   0.379   0.031  1.00  0.00           C  
HETATM   23  C   UNL     1      10.613   0.398   0.028  1.00  0.00           C  
HETATM   24  N   UNL     1      11.634   1.454   0.006  1.00  0.00           N  
HETATM   25  C   UNL     1      11.505   2.335   1.175  1.00  0.00           C  
HETATM   26  C   UNL     1      12.983   0.880  -0.075  1.00  0.00           C  
HETATM   27  O   UNL     1       6.687   1.742  -0.404  1.00  0.00           O  
HETATM   28  N   UNL     1       5.702  -0.243  -0.291  1.00  0.00           N  
HETATM   29  O   UNL     1       2.104  -0.884  -0.338  1.00  0.00           O  
HETATM   30  N   UNL     1      -0.138  -1.448  -0.025  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.885   0.407  -0.348  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.452  -1.384  -0.198  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.748  -0.938   0.050  1.00  0.00           N  
HETATM   34  C   UNL     1      -8.326   1.491   0.118  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.270   2.243  -0.090  1.00  0.00           N  
HETATM   36  N   UNL     1      -6.218   0.845  -0.105  1.00  0.00           N  
HETATM   37  H   UNL     1     -11.299   2.177   1.674  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.760   1.674   2.412  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.863   3.219   1.534  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.177   0.445   0.299  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.186   1.691  -1.845  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.548   2.187  -0.812  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.112   3.229  -0.952  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.868   3.642   0.080  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.121  -1.423  -1.031  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.978  -0.126   1.485  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.180  -1.439   1.456  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.822  -2.264   1.788  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.593  -2.925   0.324  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.798  -1.725  -2.001  1.00  0.00           H  
HETATM   51  H   UNL     1       0.397  -0.423  -1.782  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.936   0.439  -2.182  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.258   0.960  -0.621  1.00  0.00           H  
HETATM   54  H   UNL     1       3.423  -0.765   1.296  1.00  0.00           H  
HETATM   55  H   UNL     1       4.042  -2.963   0.524  1.00  0.00           H  
HETATM   56  H   UNL     1       3.940  -2.478  -1.199  1.00  0.00           H  
HETATM   57  H   UNL     1       6.142  -1.991   0.800  1.00  0.00           H  
HETATM   58  H   UNL     1       6.246  -2.163  -0.973  1.00  0.00           H  
HETATM   59  H   UNL     1       4.061   0.329  -1.499  1.00  0.00           H  
HETATM   60  H   UNL     1       4.174   1.174   0.075  1.00  0.00           H  
HETATM   61  H   UNL     1       8.211  -0.607   0.835  1.00  0.00           H  
HETATM   62  H   UNL     1       9.180   1.554  -1.090  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.052  -3.650   0.985  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.077  -3.456  -0.457  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.345  -3.823  -0.639  1.00  0.00           H  
HETATM   66  H   UNL     1      10.660  -0.133   0.979  1.00  0.00           H  
HETATM   67  H   UNL     1      10.796  -0.302  -0.788  1.00  0.00           H  
HETATM   68  H   UNL     1      11.627   1.749   2.086  1.00  0.00           H  
HETATM   69  H   UNL     1      12.272   3.107   1.133  1.00  0.00           H  
HETATM   70  H   UNL     1      10.519   2.800   1.172  1.00  0.00           H  
HETATM   71  H   UNL     1      13.073   0.289  -0.986  1.00  0.00           H  
HETATM   72  H   UNL     1      13.719   1.684  -0.090  1.00  0.00           H  
HETATM   73  H   UNL     1      13.159   0.242   0.791  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.701   1.360  -0.361  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.652  -2.104  -0.286  1.00  0.00           H  
HETATM   76  H   UNL     1       8.347  -0.776  -0.932  1.00  0.00           H  
HETATM   77  H   UNL     1       9.044   1.723   0.677  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    3   34    1   40                                       
CONECT    3    2   41   42   43                                       
CONECT    4   35   35   34   44                                       
CONECT    5   31   36   32   32                                       
CONECT    6    7   31   10   45                                       
CONECT    7    8    6   46   47                                       
CONECT    8    7   30   48   49                                       
CONECT    9   30   10   50   51                                       
CONECT   10    6    9   52   53                                       
CONECT   11   29   30   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   16   29   14   54                                       
CONECT   14   15   13   55   56                                       
CONECT   15   28   14   57   58                                       
CONECT   16   28   13   59   60                                       
CONECT   17   18   28   27   27                                       
CONECT   18   19   17   61   76                                       
CONECT   19   23   18   62   77                                       
CONECT   20   32   33   33   21                                       
CONECT   21   20   63   64   65                                       
CONECT   22   36   34   34   33                                       
CONECT   23   24   19   66   67                                       
CONECT   24   25   23   26                                            
CONECT   25   24   68   69   70                                       
CONECT   26   24   71   72   73                                       
CONECT   27   17   17                                                 
CONECT   28   17   16   15                                            
CONECT   29   13   11                                                 
CONECT   30    8   11    9                                            
CONECT   31    6    5   74                                            
CONECT   32    5    5   20   75                                       
CONECT   33   22   20   20                                            
CONECT   34    4   22   22    2                                       
CONECT   35    4    4   36                                            
CONECT   36   35    5   22                                            
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
