COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.624   1.387   0.483  1.00  0.00           N  
HETATM    2  N   UNL     1       3.470  -1.645   1.232  1.00  0.00           N  
HETATM    3  C   UNL     1       4.677  -1.391   0.736  1.00  0.00           C  
HETATM    4  C   UNL     1       6.979  -1.115  -0.120  1.00  0.00           C  
HETATM    5  C   UNL     1       8.423  -1.195  -0.544  1.00  0.00           C  
HETATM    6  C   UNL     1       2.490  -0.772   1.161  1.00  0.00           C  
HETATM    7  C   UNL     1       4.149   2.115  -0.643  1.00  0.00           C  
HETATM    8  C   UNL     1       4.264   3.203   0.426  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.592   0.602   0.380  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.662  -0.938  -0.079  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.296   0.201  -0.152  1.00  0.00           C  
HETATM   12  F   UNL     1      -2.849  -2.115  -1.374  1.00  0.00           F  
HETATM   13  C   UNL     1      -3.999  -1.495  -0.873  1.00  0.00           C  
HETATM   14  F   UNL     1      -4.882  -1.231  -1.926  1.00  0.00           F  
HETATM   15  F   UNL     1      -4.617  -2.339   0.054  1.00  0.00           F  
HETATM   16  C   UNL     1      -3.619  -0.201  -0.200  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.934   0.204   0.336  1.00  0.00           N  
HETATM   18  N   UNL     1      -6.358  -0.874  -0.222  1.00  0.00           N  
HETATM   19  C   UNL     1      -8.028   0.215   0.622  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.911   0.872   0.840  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.266   1.737   0.978  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.016   2.148   1.048  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.990   1.398   0.492  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.664   1.842   0.570  1.00  0.00           N  
HETATM   25  C   UNL     1       0.348   0.953   0.525  1.00  0.00           C  
HETATM   26  O   UNL     1       0.110  -0.239   0.520  1.00  0.00           O  
HETATM   27  C   UNL     1       2.679   0.466   0.554  1.00  0.00           C  
HETATM   28  S   UNL     1       6.147  -2.362   0.695  1.00  0.00           S  
HETATM   29  N   UNL     1       6.224  -0.102  -0.326  1.00  0.00           N  
HETATM   30  C   UNL     1       4.953  -0.169   0.109  1.00  0.00           C  
HETATM   31  C   UNL     1       3.915   0.782   0.020  1.00  0.00           C  
HETATM   32  O   UNL     1       3.054   2.414  -1.511  1.00  0.00           O  
HETATM   33  C   UNL     1       3.224   1.938  -2.847  1.00  0.00           C  
HETATM   34  H   UNL     1       1.812   2.335   0.401  1.00  0.00           H  
HETATM   35  H   UNL     1       8.834  -2.161  -0.250  1.00  0.00           H  
HETATM   36  H   UNL     1       8.490  -1.086  -1.626  1.00  0.00           H  
HETATM   37  H   UNL     1       8.988  -0.398  -0.062  1.00  0.00           H  
HETATM   38  H   UNL     1       1.525  -1.020   1.577  1.00  0.00           H  
HETATM   39  H   UNL     1       5.071   2.075  -1.223  1.00  0.00           H  
HETATM   40  H   UNL     1       5.100   2.975   1.088  1.00  0.00           H  
HETATM   41  H   UNL     1       4.433   4.167  -0.054  1.00  0.00           H  
HETATM   42  H   UNL     1       3.342   3.243   1.005  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.318  -1.719  -0.435  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.518  -0.404  -0.594  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.023   0.506   0.922  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.788   3.080   1.545  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.474   2.789   0.658  1.00  0.00           H  
HETATM   48  H   UNL     1       4.114   2.392  -3.284  1.00  0.00           H  
HETATM   49  H   UNL     1       3.339   0.854  -2.835  1.00  0.00           H  
HETATM   50  H   UNL     1       2.351   2.204  -3.442  1.00  0.00           H  
CONECT    1   25   27   34                                            
CONECT    2    3    6    6                                            
CONECT    3   30   30   28    2                                       
CONECT    4   28   29   29    5                                       
CONECT    5    4   35   36   37                                       
CONECT    6    2    2   27   38                                       
CONECT    7   31   32    8   39                                       
CONECT    8    7   40   41   42                                       
CONECT    9   21   21   17   16                                       
CONECT   10   19   18   18   43                                       
CONECT   11   16   16   23   44                                       
CONECT   12   13                                                      
CONECT   13   16   14   15   12                                       
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16    9   11   11   13                                       
CONECT   17    9   20   18                                            
CONECT   18   10   10   17                                            
CONECT   19   20   20   10   45                                       
CONECT   20   17   19   19                                            
CONECT   21   22    9    9                                            
CONECT   22   23   23   21   46                                       
CONECT   23   24   22   22   11                                       
CONECT   24   25   23   47                                            
CONECT   25   24   26   26    1                                       
CONECT   26   25   25                                                 
CONECT   27    1   31   31    6                                       
CONECT   28    3    4                                                 
CONECT   29    4    4   30                                            
CONECT   30   31    3    3   29                                       
CONECT   31   27   27   30    7                                       
CONECT   32    7   33                                                 
CONECT   33   32   48   49   50                                       
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   33                                                      
CONECT   49   33                                                      
CONECT   50   33                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
