COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.209   4.218  -0.078  1.00  0.00           C  
HETATM    2  O   UNL     1       8.929   1.827  -0.036  1.00  0.00           O  
HETATM    3  O   UNL     1       4.951   0.327  -0.073  1.00  0.00           O  
HETATM    4  C   UNL     1       5.269  -0.808  -0.367  1.00  0.00           C  
HETATM    5  C   UNL     1       6.670  -1.250  -0.203  1.00  0.00           C  
HETATM    6  C   UNL     1       7.629  -0.366   0.293  1.00  0.00           C  
HETATM    7  C   UNL     1       8.940  -0.789   0.449  1.00  0.00           C  
HETATM    8  N   UNL     1       9.905   0.094   0.947  1.00  0.00           N  
HETATM    9  C   UNL     1       9.855   1.401   0.621  1.00  0.00           C  
HETATM   10  C   UNL     1      10.951   2.332   1.072  1.00  0.00           C  
HETATM   11  C   UNL     1      10.655   3.748   0.573  1.00  0.00           C  
HETATM   12  C   UNL     1       9.295  -2.089   0.111  1.00  0.00           C  
HETATM   13  C   UNL     1       8.346  -2.965  -0.381  1.00  0.00           C  
HETATM   14  C   UNL     1       7.038  -2.554  -0.540  1.00  0.00           C  
HETATM   15  N   UNL     1       4.344  -1.666  -0.842  1.00  0.00           N  
HETATM   16  C   UNL     1       2.999  -1.279  -0.906  1.00  0.00           C  
HETATM   17  C   UNL     1       2.668   0.032  -1.222  1.00  0.00           C  
HETATM   18  C   UNL     1       1.343   0.413  -1.287  1.00  0.00           C  
HETATM   19  C   UNL     1       1.997  -2.209  -0.662  1.00  0.00           C  
HETATM   20  C   UNL     1       0.672  -1.829  -0.727  1.00  0.00           C  
HETATM   21  C   UNL     1       0.340  -0.516  -1.037  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.003  -0.130  -1.103  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.939  -0.722  -0.260  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.533  -1.560   0.683  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.381  -2.148   1.509  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.734  -1.913   1.423  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.285  -0.424  -0.413  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.213  -1.032   0.439  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.654  -0.747   0.316  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.688  -1.668   0.343  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.557  -3.118   0.500  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.848  -0.972   0.196  1.00  0.00           C  
HETATM   33  S   UNL     1      -9.463  -1.677   0.163  1.00  0.00           S  
HETATM   34  C   UNL     1     -10.455  -0.179  -0.056  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.575   0.307   0.083  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.244   0.493   0.157  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.537   1.792   0.078  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.376   2.004   0.822  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.718   3.214   0.741  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.024   2.805  -0.749  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.362   4.013  -0.819  1.00  0.00           C  
HETATM   42  F   UNL     1      -3.564   5.403  -0.150  1.00  0.00           F  
HETATM   43  H   UNL     1       7.350   0.644   0.555  1.00  0.00           H  
HETATM   44  H   UNL     1      10.610  -0.235   1.527  1.00  0.00           H  
HETATM   45  H   UNL     1      11.000   2.334   2.161  1.00  0.00           H  
HETATM   46  H   UNL     1      11.905   1.995   0.666  1.00  0.00           H  
HETATM   47  H   UNL     1      10.605   3.746  -0.516  1.00  0.00           H  
HETATM   48  H   UNL     1       9.701   4.084   0.979  1.00  0.00           H  
HETATM   49  H   UNL     1      11.447   4.421   0.899  1.00  0.00           H  
HETATM   50  H   UNL     1      10.318  -2.416   0.233  1.00  0.00           H  
HETATM   51  H   UNL     1       8.628  -3.974  -0.642  1.00  0.00           H  
HETATM   52  H   UNL     1       6.299  -3.242  -0.922  1.00  0.00           H  
HETATM   53  H   UNL     1       4.609  -2.550  -1.138  1.00  0.00           H  
HETATM   54  H   UNL     1       3.447   0.754  -1.416  1.00  0.00           H  
HETATM   55  H   UNL     1       1.085   1.433  -1.532  1.00  0.00           H  
HETATM   56  H   UNL     1       2.255  -3.230  -0.421  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.108  -2.552  -0.537  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.282   0.550  -1.735  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.006  -2.824   2.263  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.418  -2.399   2.102  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.612   0.260  -1.182  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.457  -3.583  -0.482  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.673  -3.341   1.098  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.442  -3.511   0.999  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.283   0.496   0.783  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.168   0.315  -0.984  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.511  -0.445  -0.097  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.996   1.223   1.464  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.820   3.378   1.317  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.922   2.645  -1.327  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.743   4.800  -1.452  1.00  0.00           H  
CONECT    1   39   39   41   42                                       
CONECT    2    9    9                                                 
CONECT    3    4    4                                                 
CONECT    4    5   15    3    3                                       
CONECT    5    6    6   14    4                                       
CONECT    6    7    5    5   43                                       
CONECT    7    8   12   12    6                                       
CONECT    8    9    7   44                                            
CONECT    9   10    8    2    2                                       
CONECT   10   11    9   45   46                                       
CONECT   11   10   47   48   49                                       
CONECT   12    7    7   13   50                                       
CONECT   13   12   14   14   51                                       
CONECT   14   13   13    5   52                                       
CONECT   15    4   16   53                                            
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   54                                       
CONECT   18   17   21   21   55                                       
CONECT   19   16   20   20   56                                       
CONECT   20   19   19   21   57                                       
CONECT   21   18   18   20   22                                       
CONECT   22   21   23   58                                            
CONECT   23   22   27   24   24                                       
CONECT   24   23   23   25                                            
CONECT   25   26   26   24   59                                       
CONECT   26   28   25   25   60                                       
CONECT   27   28   28   23   61                                       
CONECT   28   29   27   27   26                                       
CONECT   29   30   28   36   36                                       
CONECT   30   31   32   29                                            
CONECT   31   30   62   63   64                                       
CONECT   32   33   30   35   35                                       
CONECT   33   34   32                                                 
CONECT   34   33   65   66   67                                       
CONECT   35   32   32   36                                            
CONECT   36   29   29   35   37                                       
CONECT   37   36   38   38   40                                       
CONECT   38   37   37   39   68                                       
CONECT   39   38    1    1   69                                       
CONECT   40   37   41   41   70                                       
CONECT   41   40   40    1   71                                       
CONECT   42    1                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   41                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
