COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.245   1.184   0.047  1.00  0.00           C  
HETATM    2  C   UNL     1       2.047   1.918   0.868  1.00  0.00           C  
HETATM    3  C   UNL     1       3.470   1.634   0.445  1.00  0.00           C  
HETATM    4  N   UNL     1       3.379   0.686  -0.671  1.00  0.00           N  
HETATM    5  C   UNL     1       2.077   0.431  -0.894  1.00  0.00           C  
HETATM    6  O   UNL     1       1.652  -0.318  -1.754  1.00  0.00           O  
HETATM    7  O   UNL     1       1.650   2.736   1.858  1.00  0.00           O  
HETATM    8  C   UNL     1       4.507   0.117  -1.413  1.00  0.00           C  
HETATM    9  C   UNL     1       4.846  -1.239  -0.849  1.00  0.00           C  
HETATM   10  C   UNL     1       4.151   2.925  -0.014  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.421  -1.197   1.234  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.277  -2.160   1.719  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.648  -1.982   1.669  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.167  -0.817   1.123  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.928  -0.013   0.679  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.320   0.139   0.641  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.533   1.726  -0.116  1.00  0.00           S  
HETATM   18  N   UNL     1      -0.930   2.139  -0.355  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.229   1.148   0.102  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.118   1.517  -1.394  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.059   2.605   0.869  1.00  0.00           O  
HETATM   22  C   UNL     1       4.023   3.986   1.081  1.00  0.00           C  
HETATM   23  C   UNL     1       5.631   2.651  -0.288  1.00  0.00           C  
HETATM   24  C   UNL     1       3.480   3.428  -1.293  1.00  0.00           C  
HETATM   25  C   UNL     1       4.239  -2.371  -1.360  1.00  0.00           C  
HETATM   26  C   UNL     1       4.550  -3.615  -0.844  1.00  0.00           C  
HETATM   27  C   UNL     1       5.469  -3.727   0.185  1.00  0.00           C  
HETATM   28  C   UNL     1       6.077  -2.593   0.696  1.00  0.00           C  
HETATM   29  C   UNL     1       5.769  -1.350   0.175  1.00  0.00           C  
HETATM   30  F   UNL     1       5.773  -4.943   0.691  1.00  0.00           F  
HETATM   31  C   UNL     1      -4.659  -0.608   1.061  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.139  -0.915  -0.289  1.00  0.00           N  
HETATM   33  S   UNL     1      -6.757  -1.136  -0.562  1.00  0.00           S  
HETATM   34  C   UNL     1      -7.500   0.482  -0.213  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.841  -1.434  -1.949  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.151  -2.087   0.417  1.00  0.00           O  
HETATM   37  H   UNL     1       4.025   1.189   1.271  1.00  0.00           H  
HETATM   38  H   UNL     1       0.704   2.757   2.058  1.00  0.00           H  
HETATM   39  H   UNL     1       4.238   0.016  -2.464  1.00  0.00           H  
HETATM   40  H   UNL     1       5.371   0.775  -1.321  1.00  0.00           H  
HETATM   41  H   UNL     1       0.647  -1.353   1.286  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.873  -3.067   2.143  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.310  -2.745   2.052  1.00  0.00           H  
HETATM   44  H   UNL     1       4.501   3.628   1.992  1.00  0.00           H  
HETATM   45  H   UNL     1       4.508   4.906   0.754  1.00  0.00           H  
HETATM   46  H   UNL     1       2.969   4.181   1.276  1.00  0.00           H  
HETATM   47  H   UNL     1       5.749   2.275  -1.304  1.00  0.00           H  
HETATM   48  H   UNL     1       6.199   3.575  -0.174  1.00  0.00           H  
HETATM   49  H   UNL     1       6.000   1.908   0.419  1.00  0.00           H  
HETATM   50  H   UNL     1       2.426   3.624  -1.098  1.00  0.00           H  
HETATM   51  H   UNL     1       3.965   4.348  -1.620  1.00  0.00           H  
HETATM   52  H   UNL     1       3.571   2.672  -2.073  1.00  0.00           H  
HETATM   53  H   UNL     1       3.521  -2.283  -2.162  1.00  0.00           H  
HETATM   54  H   UNL     1       4.075  -4.499  -1.243  1.00  0.00           H  
HETATM   55  H   UNL     1       6.794  -2.679   1.498  1.00  0.00           H  
HETATM   56  H   UNL     1       6.246  -0.466   0.571  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.148  -1.266   1.778  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.891   0.429   1.302  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.508  -0.989  -1.023  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.073   1.230  -0.882  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.577   0.428  -0.369  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.296   0.760   0.821  1.00  0.00           H  
CONECT    1    2    2    5   19                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   10   37                                       
CONECT    4    3    5    8                                            
CONECT    5    1    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    2   38                                                 
CONECT    8    4    9   39   40                                       
CONECT    9    8   25   25   29                                       
CONECT   10    3   22   23   24                                       
CONECT   11   12   12   15   41                                       
CONECT   12   11   11   13   42                                       
CONECT   13   12   14   14   43                                       
CONECT   14   13   13   16   31                                       
CONECT   15   11   16   16   19                                       
CONECT   16   14   15   15   17                                       
CONECT   17   16   18   20   20                                       
CONECT   17   21   21                                                 
CONECT   18   17   19   19                                            
CONECT   19    1   15   18   18                                       
CONECT   20   17   17                                                 
CONECT   21   17   17                                                 
CONECT   22   10   44   45   46                                       
CONECT   23   10   47   48   49                                       
CONECT   24   10   50   51   52                                       
CONECT   25    9    9   26   53                                       
CONECT   26   25   27   27   54                                       
CONECT   27   26   26   28   30                                       
CONECT   28   27   29   29   55                                       
CONECT   29    9   28   28   56                                       
CONECT   30   27                                                      
CONECT   31   14   32   57   58                                       
CONECT   32   31   33   59                                            
CONECT   33   32   34   35   35                                       
CONECT   33   36   36                                                 
CONECT   34   33   60   61   62                                       
CONECT   35   33   33                                                 
CONECT   36   33   33                                                 
CONECT   37    3                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
