COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.865   5.321  -1.262  1.00  0.00           C  
HETATM    2  C   UNL     1       1.289  -0.380  -1.054  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.067  -2.339  -0.872  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.048  -0.290  -0.466  1.00  0.00           C  
HETATM    5  C   UNL     1       2.346  -2.612  -1.494  1.00  0.00           C  
HETATM    6  C   UNL     1       4.592  -4.089  -0.649  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.423  -0.967  -0.923  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.817  -1.595   1.312  1.00  0.00           C  
HETATM    9  N   UNL     1       2.910   4.494   1.234  1.00  0.00           N  
HETATM   10  C   UNL     1       3.234   3.257   1.417  1.00  0.00           C  
HETATM   11  C   UNL     1       2.386   2.157   0.821  1.00  0.00           C  
HETATM   12  N   UNL     1       1.204   2.549   0.043  1.00  0.00           N  
HETATM   13  C   UNL     1       0.940   3.898  -0.096  1.00  0.00           C  
HETATM   14  C   UNL     1       1.835   4.871   0.527  1.00  0.00           C  
HETATM   15  C   UNL     1       0.244   1.846  -0.617  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.640   2.745  -1.183  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.206   4.028  -0.857  1.00  0.00           C  
HETATM   18  O   UNL     1       1.597   6.059   0.401  1.00  0.00           O  
HETATM   19  C   UNL     1       0.162   0.376  -0.714  1.00  0.00           C  
HETATM   20  C   UNL     1       1.160  -1.756  -1.131  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.117  -1.607  -0.553  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.153   0.422  -0.135  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.329  -0.248  -0.003  1.00  0.00           C  
HETATM   24  S   UNL     1       3.234  -3.086   0.015  1.00  0.00           S  
HETATM   25  O   UNL     1       3.782  -1.915   0.605  1.00  0.00           O  
HETATM   26  O   UNL     1       2.390  -3.925   0.792  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.230  -0.281  -1.056  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.718  -1.622   0.260  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.621  -0.915   1.180  1.00  0.00           C  
HETATM   30  F   UNL     1      -2.737  -0.897   2.202  1.00  0.00           F  
HETATM   31  F   UNL     1      -6.887  -2.287   0.389  1.00  0.00           F  
HETATM   32  C   UNL     1       5.467  -4.588   0.503  1.00  0.00           C  
HETATM   33  H   UNL     1      -1.595   5.609  -0.505  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.110   6.101  -1.353  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.368   5.188  -2.219  1.00  0.00           H  
HETATM   36  H   UNL     1       2.236   0.099  -1.256  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.168  -3.412  -0.933  1.00  0.00           H  
HETATM   38  H   UNL     1       2.003  -3.508  -2.011  1.00  0.00           H  
HETATM   39  H   UNL     1       3.014  -2.049  -2.146  1.00  0.00           H  
HETATM   40  H   UNL     1       4.183  -4.942  -1.190  1.00  0.00           H  
HETATM   41  H   UNL     1       5.194  -3.483  -1.326  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.126  -0.989  -1.742  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.049  -2.106   2.234  1.00  0.00           H  
HETATM   44  H   UNL     1       4.111   3.009   1.995  1.00  0.00           H  
HETATM   45  H   UNL     1       3.027   1.557   0.174  1.00  0.00           H  
HETATM   46  H   UNL     1       2.050   1.516   1.636  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.511   2.498  -1.770  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.000   0.229  -1.980  1.00  0.00           H  
HETATM   49  H   UNL     1       5.876  -3.735   1.044  1.00  0.00           H  
HETATM   50  H   UNL     1       4.866  -5.194   1.180  1.00  0.00           H  
HETATM   51  H   UNL     1       6.283  -5.191   0.104  1.00  0.00           H  
CONECT    1   17   33   34   35                                       
CONECT    2   20   20   19   36                                       
CONECT    3   20   21   21   37                                       
CONECT    4   19   19   21   22                                       
CONECT    5   24   20   38   39                                       
CONECT    6   32   24   40   41                                       
CONECT    7   27   28   28   42                                       
CONECT    8   29   29   28   43                                       
CONECT    9   14   10   10                                            
CONECT   10    9    9   11   44                                       
CONECT   11   12   10   45   46                                       
CONECT   12   15   13   11                                            
CONECT   13   17   17   14   12                                       
CONECT   14   18   18   13    9                                       
CONECT   15   16   16   19   12                                       
CONECT   16   17   15   15   47                                       
CONECT   17    1   16   13   13                                       
CONECT   18   14   14                                                 
CONECT   19    2   15    4    4                                       
CONECT   20    5    2    2    3                                       
CONECT   21    3    3    4                                            
CONECT   22    4   23                                                 
CONECT   23   22   27   27   29                                       
CONECT   24    6   26   26   25                                       
CONECT   24   25    5                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   23   23    7   48                                       
CONECT   28    7    7    8   31                                       
CONECT   29   23   30    8    8                                       
CONECT   30   29                                                      
CONECT   31   28                                                      
CONECT   32    6   49   50   51                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   16                                                      
CONECT   48   27                                                      
CONECT   49   32                                                      
CONECT   50   32                                                      
CONECT   51   32                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
