COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.636   0.519  -0.442  1.00  0.00           C  
HETATM    2  C   UNL     1       4.791  -0.655  -1.411  1.00  0.00           C  
HETATM    3  C   UNL     1       5.222  -1.902  -0.637  1.00  0.00           C  
HETATM    4  C   UNL     1       5.372  -3.081  -1.574  1.00  0.00           C  
HETATM    5  C   UNL     1       2.292   0.076   0.055  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.264   0.053   0.902  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.702   0.938  -1.225  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.219   0.196   0.069  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.217  -0.252  -1.243  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.845   0.061   0.020  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.911  -1.410  -0.397  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.413  -0.478  -1.897  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.421   0.417   0.724  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.616   0.191   0.067  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.613  -0.257  -1.243  1.00  0.00           C  
HETATM   16  S   UNL     1       4.175   3.191  -0.084  1.00  0.00           S  
HETATM   17  C   UNL     1      -3.640   0.277   0.937  1.00  0.00           C  
HETATM   18  C   UNL     1       1.163  -0.117   1.035  1.00  0.00           C  
HETATM   19  C   UNL     1       1.419  -1.375   1.866  1.00  0.00           C  
HETATM   20  C   UNL     1       0.339  -1.503   2.943  1.00  0.00           C  
HETATM   21  C   UNL     1       0.521  -2.824   3.694  1.00  0.00           C  
HETATM   22  C   UNL     1       0.459  -0.337   3.926  1.00  0.00           C  
HETATM   23  C   UNL     1       7.236  -3.124  -0.190  1.00  0.00           C  
HETATM   24  C   UNL     1       6.636  -1.708  -0.042  1.00  0.00           C  
HETATM   25  C   UNL     1       4.304   1.789  -1.227  1.00  0.00           C  
HETATM   26  F   UNL     1     -10.781  -0.477  -1.884  1.00  0.00           F  
HETATM   27  N   UNL     1      -0.098  -0.262   0.304  1.00  0.00           N  
HETATM   28  N   UNL     1       3.554   0.232   0.503  1.00  0.00           N  
HETATM   29  N   UNL     1       6.510  -3.743  -1.304  1.00  0.00           N  
HETATM   30  O   UNL     1      -6.043   0.413   0.716  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.423  -0.081   0.230  1.00  0.00           O  
HETATM   32  O   UNL     1       4.580  -3.384  -2.441  1.00  0.00           O  
HETATM   33  O   UNL     1       5.339   2.044  -2.179  1.00  0.00           O  
HETATM   34  O   UNL     1       2.065   0.090  -1.136  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.269   0.458   2.048  1.00  0.00           O  
HETATM   36  H   UNL     1       5.567   0.663   0.106  1.00  0.00           H  
HETATM   37  H   UNL     1       3.839  -0.845  -1.906  1.00  0.00           H  
HETATM   38  H   UNL     1       5.547  -0.412  -2.158  1.00  0.00           H  
HETATM   39  H   UNL     1       4.504  -2.128   0.152  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.004   0.471  -1.920  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.674   1.047  -1.706  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.326   1.919  -0.937  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.281  -0.424  -1.754  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.079  -1.637  -1.063  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.850  -2.042   0.489  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.852  -1.599  -0.914  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.411  -0.826  -2.919  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.424   0.766   1.746  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.552   0.362   0.577  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.593   1.325   1.234  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.742  -0.348   1.825  1.00  0.00           H  
HETATM   52  H   UNL     1       1.103   0.749   1.694  1.00  0.00           H  
HETATM   53  H   UNL     1       1.391  -2.251   1.218  1.00  0.00           H  
HETATM   54  H   UNL     1       2.398  -1.305   2.340  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.645  -1.484   2.475  1.00  0.00           H  
HETATM   56  H   UNL     1       1.506  -2.843   4.162  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.248  -2.914   4.461  1.00  0.00           H  
HETATM   58  H   UNL     1       0.436  -3.654   2.994  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.310  -0.428   4.693  1.00  0.00           H  
HETATM   60  H   UNL     1       1.444  -0.356   4.394  1.00  0.00           H  
HETATM   61  H   UNL     1       0.329   0.604   3.391  1.00  0.00           H  
HETATM   62  H   UNL     1       8.300  -3.061  -0.422  1.00  0.00           H  
HETATM   63  H   UNL     1       7.084  -3.696   0.726  1.00  0.00           H  
HETATM   64  H   UNL     1       7.206  -0.981  -0.620  1.00  0.00           H  
HETATM   65  H   UNL     1       6.581  -1.415   1.006  1.00  0.00           H  
HETATM   66  H   UNL     1       3.356   1.657  -1.748  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.094  -0.586  -0.611  1.00  0.00           H  
HETATM   68  H   UNL     1       3.745   0.155   1.451  1.00  0.00           H  
HETATM   69  H   UNL     1       6.812  -4.530  -1.785  1.00  0.00           H  
HETATM   70  H   UNL     1       5.464   1.334  -2.824  1.00  0.00           H  
HETATM   71  O   UNL     1       5.310   3.243   0.771  1.00  0.00           O  
HETATM   72  O   UNL     1       3.718   4.351  -0.766  1.00  0.00           O  
HETATM   73  O   UNL     1       3.025   2.822   0.842  1.00  0.00           O  
HETATM   74  H   UNL     1       2.835   3.487   1.518  1.00  0.00           H  
CONECT    1    2   28   25   36                                       
CONECT    2    3    1   37   38                                       
CONECT    3    4    2   24   39                                       
CONECT    4   32   32   29    3                                       
CONECT    5   18   28   34   34                                       
CONECT    6   35   35   31   27                                       
CONECT    7   10   40   41   42                                       
CONECT    8    9   30   13   13                                       
CONECT    9   12   12    8   43                                       
CONECT   10    7   11   17   30                                       
CONECT   11   10   44   45   46                                       
CONECT   12    9    9   15   47                                       
CONECT   13    8    8   14   48                                       
CONECT   14   15   15   13   49                                       
CONECT   15   12   26   14   14                                       
CONECT   16   25   71   71   72                                       
CONECT   16   72   73                                                 
CONECT   17   10   31   50   51                                       
CONECT   18   27    5   19   52                                       
CONECT   19   18   20   53   54                                       
CONECT   20   22   19   21   55                                       
CONECT   21   20   56   57   58                                       
CONECT   22   20   59   60   61                                       
CONECT   23   29   24   62   63                                       
CONECT   24    3   23   64   65                                       
CONECT   25   16    1   33   66                                       
CONECT   26   15                                                      
CONECT   27    6   18   67                                            
CONECT   28    5    1   68                                            
CONECT   29    4   23   69                                            
CONECT   30   10    8                                                 
CONECT   31   17    6                                                 
CONECT   32    4    4                                                 
CONECT   33   25   70                                                 
CONECT   34    5    5                                                 
CONECT   35    6    6                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   33                                                      
CONECT   71   16   16                                                 
CONECT   72   16   16                                                 
CONECT   73   16   74                                                 
CONECT   74   73                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
