COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.232   4.521   0.652  1.00  0.00           C  
HETATM    2  C   UNL     1       1.418   3.717   1.448  1.00  0.00           C  
HETATM    3  C   UNL     1       3.290   3.995  -0.025  1.00  0.00           C  
HETATM    4  C   UNL     1       1.657   2.382   1.571  1.00  0.00           C  
HETATM    5  C   UNL     1       4.650   2.043  -0.606  1.00  0.00           C  
HETATM    6  C   UNL     1       4.075  -0.095   0.313  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.418  -3.395  -0.560  1.00  0.00           C  
HETATM    8  C   UNL     1       3.567   2.622   0.078  1.00  0.00           C  
HETATM    9  C   UNL     1       2.740   1.804   0.887  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.229  -1.929   0.947  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.511  -1.453   0.338  1.00  0.00           C  
HETATM   12  C   UNL     1       4.889   0.709  -0.483  1.00  0.00           C  
HETATM   13  C   UNL     1       3.018   0.430   0.990  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.365  -1.112   1.054  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.266  -3.073   0.135  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.540  -2.580  -0.458  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.772   1.997   0.759  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.468   1.323  -0.893  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.770   2.310  -0.177  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.544   0.736   1.136  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.346  -0.046  -0.536  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.003  -1.587   1.683  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.297   1.695  -1.975  1.00  0.00           C  
HETATM   24  C   UNL     1       8.460  -0.477  -1.068  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.501  -0.363   0.670  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.027   0.638  -2.763  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.388  -0.809   1.834  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.277  -5.015  -0.810  1.00  0.00           C  
HETATM   29  C   UNL     1      10.738  -1.151  -1.249  1.00  0.00           C  
HETATM   30  C   UNL     1       6.051   0.092  -1.218  1.00  0.00           C  
HETATM   31  C   UNL     1       2.150  -0.456   1.845  1.00  0.00           C  
HETATM   32  C   UNL     1       7.298   0.140  -0.333  1.00  0.00           C  
HETATM   33  N   UNL     1       0.928  -0.798   1.112  1.00  0.00           N  
HETATM   34  O   UNL     1      -5.898  -0.921  -1.173  1.00  0.00           O  
HETATM   35  O   UNL     1       0.171  -2.016   2.808  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.421   2.866  -2.270  1.00  0.00           O  
HETATM   37  O   UNL     1       8.306  -0.911  -2.185  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.592   0.028   1.775  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.669  -2.895  -1.143  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.069   3.606  -0.398  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.170  -3.866   0.033  1.00  0.00           O  
HETATM   42  O   UNL     1       9.665  -0.544  -0.482  1.00  0.00           O  
HETATM   43  H   UNL     1       2.018   5.576   0.569  1.00  0.00           H  
HETATM   44  H   UNL     1       0.586   4.159   1.975  1.00  0.00           H  
HETATM   45  H   UNL     1       3.912   4.631  -0.638  1.00  0.00           H  
HETATM   46  H   UNL     1       1.018   1.772   2.192  1.00  0.00           H  
HETATM   47  H   UNL     1       5.290   2.654  -1.227  1.00  0.00           H  
HETATM   48  H   UNL     1       4.286  -1.151   0.394  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.444  -4.275  -1.185  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.176   2.792   1.182  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.702   0.093  -2.103  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.601   1.111  -3.560  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.306  -0.055  -3.197  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.768  -1.012   2.707  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.101  -0.019   2.070  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.928  -1.713   1.553  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.506  -4.699  -1.828  1.00  0.00           H  
HETATM   58  H   UNL     1       0.667  -5.560  -0.803  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.073  -5.662  -0.443  1.00  0.00           H  
HETATM   60  H   UNL     1      11.656  -1.142  -0.661  1.00  0.00           H  
HETATM   61  H   UNL     1      10.473  -2.180  -1.493  1.00  0.00           H  
HETATM   62  H   UNL     1      10.891  -0.588  -2.170  1.00  0.00           H  
HETATM   63  H   UNL     1       5.818  -0.945  -1.461  1.00  0.00           H  
HETATM   64  H   UNL     1       6.235   0.647  -2.137  1.00  0.00           H  
HETATM   65  H   UNL     1       2.693  -1.369   2.091  1.00  0.00           H  
HETATM   66  H   UNL     1       1.887   0.068   2.764  1.00  0.00           H  
HETATM   67  H   UNL     1       7.113  -0.415   0.586  1.00  0.00           H  
HETATM   68  H   UNL     1       7.531   1.177  -0.090  1.00  0.00           H  
HETATM   69  H   UNL     1       0.789  -0.455   0.215  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.280  -3.464  -0.654  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.573   4.264   0.109  1.00  0.00           H  
CONECT    1    2    2    3   43                                       
CONECT    2    1    1    4   44                                       
CONECT    3    1    8    8   45                                       
CONECT    4    2    9    9   46                                       
CONECT    5    8   12   12   47                                       
CONECT    6   12   13   13   48                                       
CONECT    7   15   15   16   49                                       
CONECT    8    3    3    5    9                                       
CONECT    9    4    4    8   13                                       
CONECT   10   14   14   15   22                                       
CONECT   11   14   16   16   25                                       
CONECT   12    5    5    6   30                                       
CONECT   13    6    6    9   31                                       
CONECT   14   10   10   11   38                                       
CONECT   15    7    7   10   41                                       
CONECT   16    7   11   11   39                                       
CONECT   17   19   20   20   50                                       
CONECT   18   19   19   21   23                                       
CONECT   19   17   18   18   40                                       
CONECT   20   17   17   25   38                                       
CONECT   21   18   25   34   34                                       
CONECT   22   10   33   35   35                                       
CONECT   23   18   26   36   36                                       
CONECT   24   32   37   37   42                                       
CONECT   25   11   20   21   27                                       
CONECT   26   23   51   52   53                                       
CONECT   27   25   54   55   56                                       
CONECT   28   41   57   58   59                                       
CONECT   29   42   60   61   62                                       
CONECT   30   12   32   63   64                                       
CONECT   31   13   33   65   66                                       
CONECT   32   24   30   67   68                                       
CONECT   33   22   31   69                                            
CONECT   34   21   21                                                 
CONECT   35   22   22                                                 
CONECT   36   23   23                                                 
CONECT   37   24   24                                                 
CONECT   38   14   20                                                 
CONECT   39   16   70                                                 
CONECT   40   19   71                                                 
CONECT   41   15   28                                                 
CONECT   42   24   29                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50   17                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
