COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.401   1.145  -0.092  1.00  0.00           C  
HETATM    2  C   UNL     1       5.498  -0.017  -0.142  1.00  0.00           C  
HETATM    3  C   UNL     1       7.001  -0.001  -0.031  1.00  0.00           C  
HETATM    4  C   UNL     1       8.932   0.579   1.441  1.00  0.00           C  
HETATM    5  C   UNL     1       7.406   0.508   1.355  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.723  -0.726  -1.888  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.609   0.696  -2.293  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.516  -4.529   1.264  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.745  -3.320   0.799  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.394  -2.263   0.158  1.00  0.00           C  
HETATM   11  C   UNL     1       0.627  -1.169  -0.028  1.00  0.00           C  
HETATM   12  C   UNL     1       0.618  -3.231   1.002  1.00  0.00           C  
HETATM   13  C   UNL     1       2.736  -0.046  -0.349  1.00  0.00           C  
HETATM   14  C   UNL     1       4.781   1.158   0.011  1.00  0.00           C  
HETATM   15  C   UNL     1       4.836  -1.206  -0.398  1.00  0.00           C  
HETATM   16  C   UNL     1       3.457  -1.223  -0.502  1.00  0.00           C  
HETATM   17  C   UNL     1       7.583   0.930  -1.098  1.00  0.00           C  
HETATM   18  C   UNL     1       9.104   0.989  -0.941  1.00  0.00           C  
HETATM   19  C   UNL     1       8.940   2.849   0.600  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.382  -1.298  -0.807  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.335   0.270  -2.625  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.271   0.130  -1.209  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.931   1.931   1.434  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.467   1.517   1.274  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.254   2.102   2.920  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.169   3.255   0.706  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.658  -0.869  -0.468  1.00  0.00           C  
HETATM   28  F   UNL     1       5.429   2.316   0.261  1.00  0.00           F  
HETATM   29  F   UNL     1       5.538  -2.351  -0.547  1.00  0.00           F  
HETATM   30  F   UNL     1      -5.204   1.670  -3.016  1.00  0.00           F  
HETATM   31  N   UNL     1      -0.680  -1.213  -0.237  1.00  0.00           N  
HETATM   32  N   UNL     1       1.267  -2.155   0.582  1.00  0.00           N  
HETATM   33  N   UNL     1       1.342  -0.061  -0.453  1.00  0.00           N  
HETATM   34  N   UNL     1       9.440   1.482   0.401  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.761  -2.306  -0.062  1.00  0.00           N  
HETATM   36  N   UNL     1      -6.554   0.569  -0.866  1.00  0.00           N  
HETATM   37  O   UNL     1      -6.667  -0.627   1.251  1.00  0.00           O  
HETATM   38  O   UNL     1      -8.352   1.094   0.687  1.00  0.00           O  
HETATM   39  S   UNL     1      -7.003   0.650   0.726  1.00  0.00           S  
HETATM   40  H   UNL     1       2.843   2.063   0.023  1.00  0.00           H  
HETATM   41  H   UNL     1       7.388  -1.010  -0.177  1.00  0.00           H  
HETATM   42  H   UNL     1       9.223   0.955   2.422  1.00  0.00           H  
HETATM   43  H   UNL     1       9.351  -0.416   1.295  1.00  0.00           H  
HETATM   44  H   UNL     1       6.985   1.500   1.516  1.00  0.00           H  
HETATM   45  H   UNL     1       7.030  -0.175   2.118  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.729  -1.057  -2.149  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.542  -5.272   0.468  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.030  -4.954   2.143  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.534  -4.234   1.519  1.00  0.00           H  
HETATM   50  H   UNL     1       1.150  -4.030   1.499  1.00  0.00           H  
HETATM   51  H   UNL     1       2.941  -2.151  -0.701  1.00  0.00           H  
HETATM   52  H   UNL     1       7.334   0.549  -2.088  1.00  0.00           H  
HETATM   53  H   UNL     1       7.166   1.929  -0.976  1.00  0.00           H  
HETATM   54  H   UNL     1       9.523  -0.008  -1.076  1.00  0.00           H  
HETATM   55  H   UNL     1       9.521   1.663  -1.690  1.00  0.00           H  
HETATM   56  H   UNL     1       9.266   3.217   1.573  1.00  0.00           H  
HETATM   57  H   UNL     1       9.332   3.497  -0.184  1.00  0.00           H  
HETATM   58  H   UNL     1       7.851   2.847   0.559  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.819   0.716  -3.462  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.823   2.286   1.700  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.298   0.573   1.793  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.238   1.395   0.216  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.297   2.397   3.034  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.084   1.158   3.439  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.610   2.871   3.346  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.939   3.134  -0.353  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.212   3.550   0.819  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.525   4.025   1.131  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.172  -1.314   0.372  1.00  0.00           H  
HETATM   70  H   UNL     1       0.875   0.705  -0.822  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.288  -3.036   0.300  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.180   0.826  -1.560  1.00  0.00           H  
CONECT    1   13   13   14   40                                       
CONECT    2   14   14   15    3                                       
CONECT    3    5    2   17   41                                       
CONECT    4    5   34   42   43                                       
CONECT    5    4    3   44   45                                       
CONECT    6   20   21   21   46                                       
CONECT    7   22   22   21   30                                       
CONECT    8    9   47   48   49                                       
CONECT    9   12    8   10   10                                       
CONECT   10    9    9   31   35                                       
CONECT   11   32   33   31   31                                       
CONECT   12   32   32    9   50                                       
CONECT   13   33    1    1   16                                       
CONECT   14    1   28    2    2                                       
CONECT   15   16   16    2   29                                       
CONECT   16   13   15   15   51                                       
CONECT   17    3   18   52   53                                       
CONECT   18   17   34   54   55                                       
CONECT   19   34   56   57   58                                       
CONECT   20   35   27   27    6                                       
CONECT   21    6    6    7   59                                       
CONECT   22   27   36    7    7                                       
CONECT   23   39   25   26   24                                       
CONECT   24   23   60   61   62                                       
CONECT   25   23   63   64   65                                       
CONECT   26   23   66   67   68                                       
CONECT   27   20   20   22   69                                       
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30    7                                                      
CONECT   31   11   11   10                                            
CONECT   32   12   12   11                                            
CONECT   33   11   13   70                                            
CONECT   34    4   19   18                                            
CONECT   35   10   20   71                                            
CONECT   36   22   39   72                                            
CONECT   37   39   39                                                 
CONECT   38   39   39                                                 
CONECT   39   36   38   38   37                                       
CONECT   39   37   23                                                 
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   12                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
