COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -3.204  -1.746  -0.668  1.00  0.00           F  
HETATM    2  C   UNL     1      -2.050  -1.190  -0.239  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.063  -0.130   0.673  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.264   0.370   1.155  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.472  -0.101   0.640  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.063   0.530  -0.469  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.696   1.637  -1.271  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.607   1.810  -2.184  1.00  0.00           N  
HETATM    9  N   UNL     1      -6.610   0.844  -2.040  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.282   0.043  -0.976  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.889  -1.057  -0.376  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.299  -1.663   0.709  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.093  -1.195   1.213  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.264   1.392   2.204  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.314   2.780   1.564  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.829  -1.658  -0.687  1.00  0.00           C  
HETATM   17  N   UNL     1       0.285  -1.090  -0.246  1.00  0.00           N  
HETATM   18  C   UNL     1       0.241  -0.083   0.614  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.907   0.391   1.071  1.00  0.00           N  
HETATM   20  N   UNL     1       1.429   0.483   1.051  1.00  0.00           N  
HETATM   21  C   UNL     1       2.652  -0.081   0.677  1.00  0.00           C  
HETATM   22  C   UNL     1       3.741   0.730   0.382  1.00  0.00           C  
HETATM   23  C   UNL     1       4.939   0.162   0.016  1.00  0.00           C  
HETATM   24  S   UNL     1       6.505   0.863  -0.421  1.00  0.00           S  
HETATM   25  O   UNL     1       7.040   1.467   0.749  1.00  0.00           O  
HETATM   26  O   UNL     1       6.335   1.541  -1.658  1.00  0.00           O  
HETATM   27  N   UNL     1       7.400  -0.513  -0.723  1.00  0.00           N  
HETATM   28  C   UNL     1       6.479  -1.623  -0.487  1.00  0.00           C  
HETATM   29  C   UNL     1       5.097  -1.210  -0.071  1.00  0.00           C  
HETATM   30  C   UNL     1       3.998  -2.017   0.226  1.00  0.00           C  
HETATM   31  C   UNL     1       2.796  -1.461   0.600  1.00  0.00           C  
HETATM   32  H   UNL     1      -3.808   2.238  -1.145  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.401   0.757  -2.596  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.825  -1.434  -0.762  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.775  -2.516   1.170  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.640  -1.685   2.062  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.136   1.256   2.844  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.357   1.299   2.802  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.314   3.541   2.345  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.442   2.917   0.924  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.221   2.873   0.967  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.783  -2.479  -1.388  1.00  0.00           H  
HETATM   43  H   UNL     1       1.411   1.271   1.616  1.00  0.00           H  
HETATM   44  H   UNL     1       3.648   1.805   0.441  1.00  0.00           H  
HETATM   45  H   UNL     1       8.329  -0.566  -0.996  1.00  0.00           H  
HETATM   46  H   UNL     1       6.403  -2.210  -1.402  1.00  0.00           H  
HETATM   47  H   UNL     1       6.898  -2.260   0.292  1.00  0.00           H  
HETATM   48  H   UNL     1       4.094  -3.091   0.166  1.00  0.00           H  
HETATM   49  H   UNL     1       1.957  -2.101   0.831  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3   16                                       
CONECT    3    2    2    4   19                                       
CONECT    4    3    5   14                                            
CONECT    5    4    6    6   13                                       
CONECT    6    5    5    7   10                                       
CONECT    7    6    8    8   32                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   33                                            
CONECT   10    6    9   11   11                                       
CONECT   11   10   10   12   34                                       
CONECT   12   11   13   13   35                                       
CONECT   13    5   12   12   36                                       
CONECT   14    4   15   37   38                                       
CONECT   15   14   39   40   41                                       
CONECT   16    2   17   17   42                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19   19   20                                       
CONECT   19    3   18   18                                            
CONECT   20   18   21   43                                            
CONECT   21   20   22   22   31                                       
CONECT   22   21   21   23   44                                       
CONECT   23   22   24   29   29                                       
CONECT   24   23   25   25   26                                       
CONECT   24   26   27                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28   45                                            
CONECT   28   27   29   46   47                                       
CONECT   29   23   23   28   30                                       
CONECT   30   29   31   31   48                                       
CONECT   31   21   30   30   49                                       
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
