COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       7.217   4.128  -0.475  1.00  0.00           F  
HETATM    2  C   UNL     1       6.549   3.077   0.048  1.00  0.00           C  
HETATM    3  C   UNL     1       7.115   1.814   0.023  1.00  0.00           C  
HETATM    4  C   UNL     1       5.300   3.263   0.616  1.00  0.00           C  
HETATM    5  C   UNL     1       4.618   2.188   1.152  1.00  0.00           C  
HETATM    6  C   UNL     1       5.182   0.926   1.121  1.00  0.00           C  
HETATM    7  C   UNL     1       6.431   0.739   0.559  1.00  0.00           C  
HETATM    8  C   UNL     1       4.437  -0.246   1.706  1.00  0.00           C  
HETATM    9  N   UNL     1       3.545  -0.813   0.691  1.00  0.00           N  
HETATM   10  C   UNL     1       4.099  -1.750  -0.280  1.00  0.00           C  
HETATM   11  C   UNL     1       5.210  -2.569   0.415  1.00  0.00           C  
HETATM   12  C   UNL     1       4.560  -3.882   0.883  1.00  0.00           C  
HETATM   13  C   UNL     1       3.065  -2.804  -0.707  1.00  0.00           C  
HETATM   14  C   UNL     1       3.078  -3.817   0.458  1.00  0.00           C  
HETATM   15  C   UNL     1       1.700  -2.223  -0.885  1.00  0.00           C  
HETATM   16  O   UNL     1       0.843  -2.813  -1.738  1.00  0.00           O  
HETATM   17  C   UNL     1       2.253  -0.453   0.698  1.00  0.00           C  
HETATM   18  O   UNL     1       1.870   0.423   1.450  1.00  0.00           O  
HETATM   19  C   UNL     1       1.302  -1.114  -0.206  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.063  -0.586  -0.372  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.049  -1.259   0.135  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.375  -0.968   0.057  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.295  -1.635   0.872  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.228   0.607  -1.056  1.00  0.00           N  
HETATM   25  S   UNL     1      -1.663   0.789  -1.893  1.00  0.00           S  
HETATM   26  O   UNL     1      -1.554   0.012  -3.077  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.974   2.176  -1.886  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.851  -0.012  -0.851  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.185   0.290  -0.929  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.091  -0.370  -0.103  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.637  -1.332   0.790  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.454  -0.066  -0.173  1.00  0.00           N  
HETATM   33  S   UNL     1      -7.162   0.841   1.018  1.00  0.00           S  
HETATM   34  O   UNL     1      -8.495   1.035   0.565  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.891   0.123   2.213  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.248   2.408   0.996  1.00  0.00           C  
HETATM   37  H   UNL     1       8.091   1.668  -0.416  1.00  0.00           H  
HETATM   38  H   UNL     1       4.859   4.249   0.641  1.00  0.00           H  
HETATM   39  H   UNL     1       3.644   2.333   1.595  1.00  0.00           H  
HETATM   40  H   UNL     1       6.872  -0.246   0.539  1.00  0.00           H  
HETATM   41  H   UNL     1       5.149  -1.006   2.028  1.00  0.00           H  
HETATM   42  H   UNL     1       3.849   0.087   2.561  1.00  0.00           H  
HETATM   43  H   UNL     1       4.482  -1.216  -1.150  1.00  0.00           H  
HETATM   44  H   UNL     1       6.014  -2.780  -0.290  1.00  0.00           H  
HETATM   45  H   UNL     1       5.600  -2.018   1.271  1.00  0.00           H  
HETATM   46  H   UNL     1       5.048  -4.732   0.406  1.00  0.00           H  
HETATM   47  H   UNL     1       4.634  -3.970   1.967  1.00  0.00           H  
HETATM   48  H   UNL     1       3.386  -3.286  -1.630  1.00  0.00           H  
HETATM   49  H   UNL     1       2.734  -4.794   0.118  1.00  0.00           H  
HETATM   50  H   UNL     1       2.460  -3.460   1.282  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.002  -2.368  -1.888  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.953  -2.388   1.567  1.00  0.00           H  
HETATM   53  H   UNL     1       0.452   1.299  -1.050  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.532   1.038  -1.628  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.342  -1.848   1.426  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.985  -0.386  -0.919  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.420   2.916   0.047  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.594   3.041   1.814  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.183   2.210   1.115  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    4                                       
CONECT    3    2    2    7   37                                       
CONECT    4    2    5    5   38                                       
CONECT    5    4    4    6   39                                       
CONECT    6    5    7    7    8                                       
CONECT    7    3    6    6   40                                       
CONECT    8    6    9   41   42                                       
CONECT    9    8   10   17                                            
CONECT   10    9   11   13   43                                       
CONECT   11   10   12   44   45                                       
CONECT   12   11   14   46   47                                       
CONECT   13   10   14   15   48                                       
CONECT   14   12   13   49   50                                       
CONECT   15   13   16   19   19                                       
CONECT   16   15   51                                                 
CONECT   17    9   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   15   15   17   20                                       
CONECT   20   19   24   21   21                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   23   28                                       
CONECT   23   22   22   31   52                                       
CONECT   24   20   25   53                                            
CONECT   25   24   27   27   26                                       
CONECT   25   26   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   22   25   29   29                                       
CONECT   29   28   28   30   54                                       
CONECT   30   29   31   31   32                                       
CONECT   31   23   30   30   55                                       
CONECT   32   30   33   56                                            
CONECT   33   32   35   35   36                                       
CONECT   33   34   34                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   33   57   58   59                                       
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   36                                                      
CONECT   58   36                                                      
CONECT   59   36                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
