COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.937   1.111  -0.307  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.726  -0.131  -1.673  1.00  0.00           C  
HETATM    3  C   UNL     1     -13.207   1.695  -0.781  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.008  -1.124  -0.019  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.583  -1.253  -0.212  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.413  -1.893   0.539  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.102  -1.548  -0.171  1.00  0.00           C  
HETATM    8  C   UNL     1       1.068  -2.188   0.579  1.00  0.00           C  
HETATM    9  C   UNL     1       3.517  -2.326   0.396  1.00  0.00           C  
HETATM   10  C   UNL     1     -15.392   2.591  -0.434  1.00  0.00           C  
HETATM   11  C   UNL     1       5.967  -2.516   0.286  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.739   0.896   1.069  1.00  0.00           C  
HETATM   13  C   UNL     1       7.114  -2.031  -0.603  1.00  0.00           C  
HETATM   14  C   UNL     1       8.445  -2.638  -0.119  1.00  0.00           C  
HETATM   15  C   UNL     1       9.328  -1.407   0.202  1.00  0.00           C  
HETATM   16  C   UNL     1       8.640  -0.290  -0.624  1.00  0.00           C  
HETATM   17  C   UNL     1       8.139   1.710   0.831  1.00  0.00           C  
HETATM   18  C   UNL     1       9.875   2.962   0.476  1.00  0.00           C  
HETATM   19  C   UNL     1      10.881   3.941   0.414  1.00  0.00           C  
HETATM   20  C   UNL     1      12.043   2.604  -1.066  1.00  0.00           C  
HETATM   21  C   UNL     1      10.034   1.797  -0.295  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.576   0.357   1.529  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.553   0.009   0.620  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.745   0.223  -0.769  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.952   0.773  -1.222  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.346  -0.546   1.071  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.366  -0.874   0.159  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.563  -0.660  -1.210  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.163  -1.427   0.607  1.00  0.00           N  
HETATM   30  N   UNL     1      11.123   1.662  -1.043  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.838  -1.583   0.468  1.00  0.00           N  
HETATM   32  N   UNL     1       2.323  -1.858  -0.101  1.00  0.00           N  
HETATM   33  N   UNL     1       4.695  -2.017  -0.243  1.00  0.00           N  
HETATM   34  N   UNL     1       3.532  -3.063   1.470  1.00  0.00           N  
HETATM   35  N   UNL     1       8.926   1.026  -0.048  1.00  0.00           N  
HETATM   36  N   UNL     1       8.696   2.846   1.135  1.00  0.00           N  
HETATM   37  N   UNL     1      10.776   5.111   1.145  1.00  0.00           N  
HETATM   38  N   UNL     1      11.936   3.716  -0.362  1.00  0.00           N  
HETATM   39  O   UNL     1     -10.400   0.156   2.861  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.022  -0.437  -1.021  1.00  0.00           O  
HETATM   41  O   UNL     1     -14.170   2.021   0.103  1.00  0.00           O  
HETATM   42  O   UNL     1     -13.383   1.883  -1.968  1.00  0.00           O  
HETATM   43  O   UNL     1       9.040  -3.426  -1.151  1.00  0.00           O  
HETATM   44  O   UNL     1      10.671  -1.615  -0.240  1.00  0.00           O  
HETATM   45  O   UNL     1       7.235  -0.602  -0.508  1.00  0.00           O  
HETATM   46  H   UNL     1      -8.867   0.021  -2.733  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.454  -0.171  -0.232  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.611  -1.634  -1.233  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.384  -1.512   1.559  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.542  -2.975   0.558  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.131  -1.930  -1.192  1.00  0.00           H  
HETATM   52  H   UNL     1       0.027  -0.466  -0.191  1.00  0.00           H  
HETATM   53  H   UNL     1       1.096  -1.807   1.600  1.00  0.00           H  
HETATM   54  H   UNL     1       0.938  -3.270   0.599  1.00  0.00           H  
HETATM   55  H   UNL     1     -15.160   3.514  -0.966  1.00  0.00           H  
HETATM   56  H   UNL     1     -15.853   1.882  -1.122  1.00  0.00           H  
HETATM   57  H   UNL     1     -16.082   2.807   0.382  1.00  0.00           H  
HETATM   58  H   UNL     1       5.953  -3.606   0.299  1.00  0.00           H  
HETATM   59  H   UNL     1       6.110  -2.142   1.300  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.518   1.161   1.768  1.00  0.00           H  
HETATM   61  H   UNL     1       6.927  -2.319  -1.638  1.00  0.00           H  
HETATM   62  H   UNL     1       8.287  -3.238   0.777  1.00  0.00           H  
HETATM   63  H   UNL     1       9.302  -1.176   1.266  1.00  0.00           H  
HETATM   64  H   UNL     1       8.960  -0.330  -1.665  1.00  0.00           H  
HETATM   65  H   UNL     1       7.192   1.362   1.214  1.00  0.00           H  
HETATM   66  H   UNL     1      12.918   2.461  -1.683  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.114   0.932  -2.278  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.186  -0.714   2.126  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.785  -0.929  -1.909  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.159  -2.029   1.367  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.827  -2.131   1.268  1.00  0.00           H  
HETATM   72  H   UNL     1       2.312  -1.310  -0.900  1.00  0.00           H  
HETATM   73  H   UNL     1       4.683  -1.469  -1.043  1.00  0.00           H  
HETATM   74  H   UNL     1       4.374  -3.394   1.820  1.00  0.00           H  
HETATM   75  H   UNL     1      10.001   5.263   1.708  1.00  0.00           H  
HETATM   76  H   UNL     1      11.477   5.779   1.094  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.693  -0.712   3.170  1.00  0.00           H  
HETATM   78  H   UNL     1       9.881  -3.832  -0.901  1.00  0.00           H  
HETATM   79  H   UNL     1      11.114  -2.363   0.184  1.00  0.00           H  
CONECT    1   25    3   12   12                                       
CONECT    2   28   28   24   46                                       
CONECT    3    1   41   42   42                                       
CONECT    4   40   40   31   29                                       
CONECT    5    6   31   47   48                                       
CONECT    6    7    5   49   50                                       
CONECT    7    6    8   51   52                                       
CONECT    8    7   32   53   54                                       
CONECT    9   32   33   34   34                                       
CONECT   10   41   55   56   57                                       
CONECT   11   33   13   58   59                                       
CONECT   12    1    1   22   60                                       
CONECT   13   14   11   45   61                                       
CONECT   14   43   13   15   62                                       
CONECT   15   14   44   16   63                                       
CONECT   16   45   15   35   64                                       
CONECT   17   35   36   36   65                                       
CONECT   18   21   36   19   19                                       
CONECT   19   38   18   18   37                                       
CONECT   20   30   38   38   66                                       
CONECT   21   30   30   35   18                                       
CONECT   22   23   23   12   39                                       
CONECT   23   24   26   22   22                                       
CONECT   24    2   25   25   23                                       
CONECT   25   24   24    1   67                                       
CONECT   26   27   27   23   68                                       
CONECT   27   28   29   26   26                                       
CONECT   28    2    2   27   69                                       
CONECT   29    4   27   70                                            
CONECT   30   21   21   20                                            
CONECT   31    5    4   71                                            
CONECT   32    8    9   72                                            
CONECT   33    9   11   73                                            
CONECT   34    9    9   74                                            
CONECT   35   16   21   17                                            
CONECT   36   17   17   18                                            
CONECT   37   19   75   76                                            
CONECT   38   20   20   19                                            
CONECT   39   22   77                                                 
CONECT   40    4    4                                                 
CONECT   41    3   10                                                 
CONECT   42    3    3                                                 
CONECT   43   14   78                                                 
CONECT   44   15   79                                                 
CONECT   45   13   16                                                 
CONECT   46    2                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   20                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   39                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
