COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.537   0.126   0.097  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.040  -0.980   0.131  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.382  -1.109   0.152  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.191   0.015   0.023  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.655   1.207  -0.232  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.414   2.276  -0.356  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.725   2.219  -0.234  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.337   1.064   0.021  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.571  -0.091   0.154  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.716   1.012   0.148  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.257  -2.076   0.142  1.00  0.00           N  
HETATM   12  C   UNL     1       1.132  -1.947   0.008  1.00  0.00           C  
HETATM   13  C   UNL     1       1.819  -1.006   0.762  1.00  0.00           C  
HETATM   14  C   UNL     1       3.196  -0.882   0.626  1.00  0.00           C  
HETATM   15  C   UNL     1       3.881  -1.698  -0.263  1.00  0.00           C  
HETATM   16  C   UNL     1       3.195  -2.635  -1.013  1.00  0.00           C  
HETATM   17  C   UNL     1       1.825  -2.766  -0.877  1.00  0.00           C  
HETATM   18  F   UNL     1       1.159  -3.686  -1.608  1.00  0.00           F  
HETATM   19  F   UNL     1       1.150  -0.212   1.627  1.00  0.00           F  
HETATM   20  N   UNL     1       3.892   0.067   1.385  1.00  0.00           N  
HETATM   21  S   UNL     1       5.189   0.862   0.730  1.00  0.00           S  
HETATM   22  C   UNL     1       4.507   1.731  -0.709  1.00  0.00           C  
HETATM   23  O   UNL     1       5.576   1.789   1.735  1.00  0.00           O  
HETATM   24  O   UNL     1       6.064  -0.178   0.315  1.00  0.00           O  
HETATM   25  C   UNL     1       5.621   2.512  -1.409  1.00  0.00           C  
HETATM   26  C   UNL     1       5.046   3.245  -2.622  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.378  -0.264   0.429  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.890  -0.045   0.520  1.00  0.00           C  
HETATM   29  O   UNL     1      -9.389   0.367  -0.754  1.00  0.00           O  
HETATM   30  H   UNL     1      -2.783  -1.986   0.257  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.948   3.229  -0.562  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.037  -1.044   0.356  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.243   1.821   0.052  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.655  -2.955   0.244  1.00  0.00           H  
HETATM   35  H   UNL     1       4.952  -1.601  -0.369  1.00  0.00           H  
HETATM   36  H   UNL     1       3.731  -3.269  -1.704  1.00  0.00           H  
HETATM   37  H   UNL     1       3.615   0.259   2.295  1.00  0.00           H  
HETATM   38  H   UNL     1       4.081   1.006  -1.403  1.00  0.00           H  
HETATM   39  H   UNL     1       3.729   2.421  -0.382  1.00  0.00           H  
HETATM   40  H   UNL     1       6.047   3.237  -0.715  1.00  0.00           H  
HETATM   41  H   UNL     1       6.398   1.822  -1.736  1.00  0.00           H  
HETATM   42  H   UNL     1       5.839   3.802  -3.120  1.00  0.00           H  
HETATM   43  H   UNL     1       4.620   2.520  -3.316  1.00  0.00           H  
HETATM   44  H   UNL     1       4.268   3.935  -2.295  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.161  -0.970  -0.372  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.011  -0.663   1.375  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.375  -0.975   0.816  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.101   0.726   1.260  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.343   0.525  -0.770  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   11    3                                       
CONECT    3    2    4   30                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    7   31                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9    9   10                                       
CONECT    9    4    8    8   32                                       
CONECT   10    8   27   33                                            
CONECT   11    2   12   34                                            
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   19   14                                       
CONECT   14   13   20   15   15                                       
CONECT   15   14   14   16   35                                       
CONECT   16   15   17   17   36                                       
CONECT   17   12   16   16   18                                       
CONECT   18   17                                                      
CONECT   19   13                                                      
CONECT   20   14   21   37                                            
CONECT   21   20   24   24   22                                       
CONECT   21   23   23                                                 
CONECT   22   21   25   38   39                                       
CONECT   23   21   21                                                 
CONECT   24   21   21                                                 
CONECT   25   22   26   40   41                                       
CONECT   26   25   42   43   44                                       
CONECT   27   10   28   45   46                                       
CONECT   28   27   29   47   48                                       
CONECT   29   28   49                                                 
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   20                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
