COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -5.978   0.274   0.567  1.00  0.00           F  
HETATM    2  C   UNL     1      -4.725  -0.124   0.253  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.361  -1.454   0.346  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.360  -2.487   0.799  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.124  -1.811   0.031  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.768   0.800  -0.178  1.00  0.00           C  
HETATM    7  S   UNL     1      -4.176   2.509  -0.322  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.590   3.162  -0.900  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.546   0.370  -0.477  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.237  -0.913  -0.370  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.954  -1.327  -0.689  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.302  -1.966   0.469  1.00  0.00           C  
HETATM   13  C   UNL     1       1.020  -1.218   0.721  1.00  0.00           C  
HETATM   14  O   UNL     1       2.163  -2.595   2.208  1.00  0.00           O  
HETATM   15  N   UNL     1       3.018  -2.628   0.192  1.00  0.00           N  
HETATM   16  N   UNL     1       4.048  -2.367  -1.895  1.00  0.00           N  
HETATM   17  N   UNL     1       1.916  -1.467  -1.548  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.123  -0.187  -1.128  1.00  0.00           C  
HETATM   19  C   UNL     1       1.304  -0.506  -0.619  1.00  0.00           C  
HETATM   20  C   UNL     1       2.138   0.736  -0.440  1.00  0.00           C  
HETATM   21  C   UNL     1       2.926   1.262  -1.383  1.00  0.00           C  
HETATM   22  C   UNL     1       3.598   2.404  -1.013  1.00  0.00           C  
HETATM   23  C   UNL     1       3.332   2.795   0.269  1.00  0.00           C  
HETATM   24  S   UNL     1       2.197   1.663   0.991  1.00  0.00           S  
HETATM   25  C   UNL     1       3.888   3.943   0.920  1.00  0.00           C  
HETATM   26  N   UNL     1       4.329   4.854   1.436  1.00  0.00           N  
HETATM   27  C   UNL     1       2.105  -2.186   1.068  1.00  0.00           C  
HETATM   28  C   UNL     1       4.013  -3.615   0.617  1.00  0.00           C  
HETATM   29  C   UNL     1       3.029  -2.161  -1.112  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.891  -2.883  -0.066  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.839  -3.298   1.308  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.073  -2.027   1.484  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.819   2.952  -0.159  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.324   2.689  -1.845  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.672   4.240  -1.044  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.945  -1.888   1.346  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.101  -3.014   0.249  1.00  0.00           H  
HETATM   38  H   UNL     1       0.895  -0.491   1.524  1.00  0.00           H  
HETATM   39  H   UNL     1       4.819  -2.856  -1.569  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.129  -0.111  -2.215  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.485   0.739  -0.681  1.00  0.00           H  
HETATM   42  H   UNL     1       3.029   0.822  -2.365  1.00  0.00           H  
HETATM   43  H   UNL     1       4.269   2.938  -1.669  1.00  0.00           H  
HETATM   44  H   UNL     1       3.626  -4.620   0.445  1.00  0.00           H  
HETATM   45  H   UNL     1       4.930  -3.477   0.045  1.00  0.00           H  
HETATM   46  H   UNL     1       4.224  -3.485   1.679  1.00  0.00           H  
HETATM   47  H   UNL     1       1.550  -1.610  -2.435  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1    6    6                                       
CONECT    3    4    5    5    2                                       
CONECT    4    3   30   31   32                                       
CONECT    5    3    3   10                                            
CONECT    6    2    2    9    7                                       
CONECT    7    6    8                                                 
CONECT    8    7   33   34   35                                       
CONECT    9   10   10    6                                            
CONECT   10    5   11    9    9                                       
CONECT   11   18   10   12                                            
CONECT   12   11   13   36   37                                       
CONECT   13   19   12   27   38                                       
CONECT   14   27   27                                                 
CONECT   15   27   29   28                                            
CONECT   16   29   29   39                                            
CONECT   17   19   29   47                                            
CONECT   18   19   11   40   41                                       
CONECT   19   20   18   13   17                                       
CONECT   20   21   21   24   19                                       
CONECT   21   22   20   20   42                                       
CONECT   22   21   23   23   43                                       
CONECT   23   22   22   25   24                                       
CONECT   24   23   20                                                 
CONECT   25   26   26   26   23                                       
CONECT   26   25   25   25                                            
CONECT   27   13   14   14   15                                       
CONECT   28   15   44   45   46                                       
CONECT   29   17   15   16   16                                       
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   17                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
