COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -13.428  -0.770   0.064  1.00  0.00           O  
HETATM    2  C   UNL     1     -12.232  -0.169   0.162  1.00  0.00           C  
HETATM    3  O   UNL     1     -12.163   0.986   0.512  1.00  0.00           O  
HETATM    4  C   UNL     1     -10.975  -0.933  -0.164  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.760  -0.023   0.028  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.503  -0.788  -0.298  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.572  -1.948  -0.650  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.242  -0.153  -0.195  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.066  -0.741  -0.467  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.933   0.067  -0.299  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.570  -0.265  -0.504  1.00  0.00           C  
HETATM   12  S   UNL     1      -6.999   1.513   0.299  1.00  0.00           S  
HETATM   13  C   UNL     1      -5.254   1.362   0.128  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.237   2.298   0.345  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.919   1.951   0.138  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.936   2.864   0.350  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.340   4.163   0.785  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.594   0.658  -0.289  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.291   0.322  -0.490  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.025  -1.013  -0.926  1.00  0.00           C  
HETATM   21  C   UNL     1       0.484  -1.202  -1.097  1.00  0.00           C  
HETATM   22  O   UNL     1       1.125  -1.084   0.175  1.00  0.00           O  
HETATM   23  C   UNL     1       2.479  -1.228   0.199  1.00  0.00           C  
HETATM   24  C   UNL     1       3.286  -0.129   0.039  1.00  0.00           C  
HETATM   25  F   UNL     1       2.731   1.090  -0.142  1.00  0.00           F  
HETATM   26  C   UNL     1       4.699  -0.265   0.063  1.00  0.00           C  
HETATM   27  C   UNL     1       5.674   0.730  -0.083  1.00  0.00           C  
HETATM   28  C   UNL     1       6.955   0.298  -0.016  1.00  0.00           C  
HETATM   29  C   UNL     1       8.093   1.130  -0.136  1.00  0.00           C  
HETATM   30  C   UNL     1       9.474   0.535  -0.045  1.00  0.00           C  
HETATM   31  C   UNL     1      10.518   1.641  -0.205  1.00  0.00           C  
HETATM   32  C   UNL     1      11.900   1.046  -0.114  1.00  0.00           C  
HETATM   33  O   UNL     1      12.035  -0.142   0.061  1.00  0.00           O  
HETATM   34  O   UNL     1      12.980   1.835  -0.228  1.00  0.00           O  
HETATM   35  O   UNL     1       7.957   2.324  -0.312  1.00  0.00           O  
HETATM   36  S   UNL     1       7.006  -1.437   0.241  1.00  0.00           S  
HETATM   37  C   UNL     1       5.249  -1.540   0.252  1.00  0.00           C  
HETATM   38  C   UNL     1       4.411  -2.647   0.414  1.00  0.00           C  
HETATM   39  C   UNL     1       3.040  -2.494   0.394  1.00  0.00           C  
HETATM   40  O   UNL     1       2.234  -3.575   0.558  1.00  0.00           O  
HETATM   41  C   UNL     1       2.874  -4.838   0.752  1.00  0.00           C  
HETATM   42  H   UNL     1     -14.206  -0.239   0.284  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.892  -1.795   0.499  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.015  -1.273  -1.198  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.844   0.838  -0.635  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.720   0.317   1.063  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.997  -1.769  -0.792  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.304  -1.259  -0.834  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.485   3.296   0.674  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.997   4.609   0.038  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.871   4.080   1.733  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.459   4.793   0.916  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.398  -1.718  -0.184  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.524  -1.190  -1.879  1.00  0.00           H  
HETATM   55  H   UNL     1       0.681  -2.190  -1.513  1.00  0.00           H  
HETATM   56  H   UNL     1       0.872  -0.439  -1.771  1.00  0.00           H  
HETATM   57  H   UNL     1       5.422   1.768  -0.237  1.00  0.00           H  
HETATM   58  H   UNL     1       9.600   0.055   0.926  1.00  0.00           H  
HETATM   59  H   UNL     1       9.604  -0.205  -0.835  1.00  0.00           H  
HETATM   60  H   UNL     1      10.393   2.121  -1.176  1.00  0.00           H  
HETATM   61  H   UNL     1      10.389   2.381   0.585  1.00  0.00           H  
HETATM   62  H   UNL     1      13.845   1.408  -0.163  1.00  0.00           H  
HETATM   63  H   UNL     1       4.839  -3.627   0.560  1.00  0.00           H  
HETATM   64  H   UNL     1       2.118  -5.614   0.869  1.00  0.00           H  
HETATM   65  H   UNL     1       3.498  -5.066  -0.113  1.00  0.00           H  
HETATM   66  H   UNL     1       3.495  -4.797   1.647  1.00  0.00           H  
CONECT    1    2   42                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   43   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    5    8    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    9    6   12                                       
CONECT    9   10    8    8   47                                       
CONECT   10   11    9   13   13                                       
CONECT   11   18   18   10   48                                       
CONECT   12    8   13                                                 
CONECT   13   10   10   14   12                                       
CONECT   14   15   15   13   49                                       
CONECT   15   18   16   14   14                                       
CONECT   16   15   17                                                 
CONECT   17   16   50   51   52                                       
CONECT   18   19   11   11   15                                       
CONECT   19   20   18                                                 
CONECT   20   19   21   53   54                                       
CONECT   21   20   22   55   56                                       
CONECT   22   21   23                                                 
CONECT   23   22   39   39   24                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24                                                      
CONECT   26   24   24   37   27                                       
CONECT   27   26   28   28   57                                       
CONECT   28   36   27   27   29                                       
CONECT   29   28   35   35   30                                       
CONECT   30   29   31   58   59                                       
CONECT   31   32   30   60   61                                       
CONECT   32   33   33   34   31                                       
CONECT   33   32   32                                                 
CONECT   34   32   62                                                 
CONECT   35   29   29                                                 
CONECT   36   37   28                                                 
CONECT   37   38   38   26   36                                       
CONECT   38   39   37   37   63                                       
CONECT   39   40   23   23   38                                       
CONECT   40   41   39                                                 
CONECT   41   40   64   65   66                                       
CONECT   42    1                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   27                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   34                                                      
CONECT   63   38                                                      
CONECT   64   41                                                      
CONECT   65   41                                                      
CONECT   66   41                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
