COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.044   3.234  -0.495  1.00  0.00           C  
HETATM    2  C   UNL     1       0.566   3.038  -0.280  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.169   3.643   0.611  1.00  0.00           N  
HETATM    4  N   UNL     1      -1.387   3.239   0.510  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.471   2.356  -0.456  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.235   2.212  -0.975  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.693   1.650  -0.895  1.00  0.00           C  
HETATM    8  C   UNL     1       2.824   2.394   0.518  1.00  0.00           C  
HETATM    9  C   UNL     1       1.512   0.281   0.193  1.00  0.00           C  
HETATM   10  C   UNL     1       1.486  -1.115  -0.264  1.00  0.00           C  
HETATM   11  N   UNL     1       2.673   0.965   0.204  1.00  0.00           N  
HETATM   12  C   UNL     1       4.003   0.405  -0.099  1.00  0.00           C  
HETATM   13  C   UNL     1       5.002   1.342   0.625  1.00  0.00           C  
HETATM   14  O   UNL     1       0.486   0.820   0.562  1.00  0.00           O  
HETATM   15  C   UNL     1       4.328   2.726   0.430  1.00  0.00           C  
HETATM   16  C   UNL     1       3.011  -3.536  -2.551  1.00  0.00           C  
HETATM   17  C   UNL     1       2.177  -2.832  -1.511  1.00  0.00           C  
HETATM   18  N   UNL     1       2.298  -1.592  -1.199  1.00  0.00           N  
HETATM   19  C   UNL     1       0.620  -2.062   0.241  1.00  0.00           C  
HETATM   20  S   UNL     1       0.944  -3.579  -0.594  1.00  0.00           S  
HETATM   21  C   UNL     1      -0.395  -1.844   1.290  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.051  -1.190   2.474  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.004  -0.989   3.451  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.301  -1.434   3.260  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.651  -2.083   2.090  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.709  -2.287   1.100  1.00  0.00           C  
HETATM   27  F   UNL     1      -2.053  -2.917  -0.044  1.00  0.00           F  
HETATM   28  C   UNL     1      -2.615   0.651  -1.867  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.760  -0.004  -2.272  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.983   0.327  -1.717  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.068   1.316  -0.753  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.930   1.975  -0.335  1.00  0.00           C  
HETATM   33  H   UNL     1       2.309   2.922  -1.506  1.00  0.00           H  
HETATM   34  H   UNL     1       2.294   4.287  -0.363  1.00  0.00           H  
HETATM   35  H   UNL     1       2.458   2.594   1.525  1.00  0.00           H  
HETATM   36  H   UNL     1       4.085  -0.609   0.290  1.00  0.00           H  
HETATM   37  H   UNL     1       4.184   0.416  -1.174  1.00  0.00           H  
HETATM   38  H   UNL     1       5.078   1.091   1.683  1.00  0.00           H  
HETATM   39  H   UNL     1       5.981   1.314   0.147  1.00  0.00           H  
HETATM   40  H   UNL     1       4.575   3.141  -0.548  1.00  0.00           H  
HETATM   41  H   UNL     1       4.619   3.412   1.225  1.00  0.00           H  
HETATM   42  H   UNL     1       2.523  -3.455  -3.523  1.00  0.00           H  
HETATM   43  H   UNL     1       3.997  -3.073  -2.599  1.00  0.00           H  
HETATM   44  H   UNL     1       3.115  -4.587  -2.283  1.00  0.00           H  
HETATM   45  H   UNL     1       0.960  -0.842   2.626  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.738  -0.484   4.367  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.042  -1.273   4.029  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.665  -2.429   1.948  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.661   0.392  -2.301  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.701  -0.778  -3.023  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.876  -0.189  -2.037  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.025   1.571  -0.324  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.996   2.744   0.420  1.00  0.00           H  
CONECT    1    2    8   33   34                                       
CONECT    2    3    3    6    1                                       
CONECT    3    4    2    2                                            
CONECT    4    3    5    5                                            
CONECT    5    4    4    7    6                                       
CONECT    6    5    2                                                 
CONECT    7   28    5   32   32                                       
CONECT    8   11    1   15   35                                       
CONECT    9   14   14   11   10                                       
CONECT   10   18    9   19   19                                       
CONECT   11   12    9    8                                            
CONECT   12   11   13   36   37                                       
CONECT   13   12   15   38   39                                       
CONECT   14    9    9                                                 
CONECT   15   13    8   40   41                                       
CONECT   16   17   42   43   44                                       
CONECT   17   18   18   16   20                                       
CONECT   18   10   17   17                                            
CONECT   19   10   10   20   21                                       
CONECT   20   17   19                                                 
CONECT   21   19   22   22   26                                       
CONECT   22   21   21   23   45                                       
CONECT   23   22   24   24   46                                       
CONECT   24   23   23   25   47                                       
CONECT   25   26   26   24   48                                       
CONECT   26   21   27   25   25                                       
CONECT   27   26                                                      
CONECT   28   29   29    7   49                                       
CONECT   29   28   28   30   50                                       
CONECT   30   29   31   31   51                                       
CONECT   31   30   30   32   52                                       
CONECT   32    7    7   31   53                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    8                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
