COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.137   1.229  -0.740  1.00  0.00           C  
HETATM    2  C   UNL     1       1.489  -0.834  -0.844  1.00  0.00           C  
HETATM    3  C   UNL     1       0.349  -0.063  -0.984  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.845  -0.488  -0.436  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.901  -1.690   0.255  1.00  0.00           C  
HETATM    6  C   UNL     1       0.244  -2.462   0.394  1.00  0.00           C  
HETATM    7  C   UNL     1       1.436  -2.032  -0.156  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.182  -1.352   0.586  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.983  -1.584  -0.523  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.112  -0.815  -0.731  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.443   0.186   0.164  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.646   0.419   1.270  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.516  -0.347   1.483  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.674   1.024  -0.066  1.00  0.00           C  
HETATM   15  O   UNL     1       4.704  -2.226   1.975  1.00  0.00           O  
HETATM   16  N   UNL     1       4.602  -1.370   0.852  1.00  0.00           N  
HETATM   17  C   UNL     1       4.008  -0.166   0.975  1.00  0.00           C  
HETATM   18  O   UNL     1       3.648   0.225   2.065  1.00  0.00           O  
HETATM   19  C   UNL     1       3.790   0.694  -0.244  1.00  0.00           C  
HETATM   20  C   UNL     1       2.886   1.876   0.119  1.00  0.00           C  
HETATM   21  C   UNL     1       3.588   2.744   1.166  1.00  0.00           C  
HETATM   22  O   UNL     1       4.847   3.183   0.652  1.00  0.00           O  
HETATM   23  C   UNL     1       5.752   2.122   0.340  1.00  0.00           C  
HETATM   24  S   UNL     1       3.009  -0.292  -1.551  1.00  0.00           S  
HETATM   25  O   UNL     1       3.739  -1.490  -1.775  1.00  0.00           O  
HETATM   26  O   UNL     1       2.615   0.539  -2.634  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.074  -2.111   0.796  1.00  0.00           O  
HETATM   28  F   UNL     1      -7.771   0.422   0.560  1.00  0.00           F  
HETATM   29  F   UNL     1      -6.475   2.302   0.468  1.00  0.00           F  
HETATM   30  F   UNL     1      -6.919   1.125  -1.439  1.00  0.00           F  
HETATM   31  H   UNL     1       5.806   0.394  -0.948  1.00  0.00           H  
HETATM   32  H   UNL     1       4.985   1.810  -1.650  1.00  0.00           H  
HETATM   33  H   UNL     1       0.393   0.873  -1.521  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.735   0.114  -0.545  1.00  0.00           H  
HETATM   35  H   UNL     1       0.204  -3.398   0.932  1.00  0.00           H  
HETATM   36  H   UNL     1       2.328  -2.632  -0.049  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.725  -2.365  -1.222  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.736  -0.995  -1.594  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.906   1.202   1.967  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.894  -0.165   2.346  1.00  0.00           H  
HETATM   41  H   UNL     1       5.146  -3.066   1.790  1.00  0.00           H  
HETATM   42  H   UNL     1       4.959  -1.649  -0.005  1.00  0.00           H  
HETATM   43  H   UNL     1       2.688   2.471  -0.774  1.00  0.00           H  
HETATM   44  H   UNL     1       1.945   1.504   0.525  1.00  0.00           H  
HETATM   45  H   UNL     1       2.968   3.610   1.396  1.00  0.00           H  
HETATM   46  H   UNL     1       3.749   2.160   2.073  1.00  0.00           H  
HETATM   47  H   UNL     1       5.941   1.530   1.236  1.00  0.00           H  
HETATM   48  H   UNL     1       6.691   2.539  -0.024  1.00  0.00           H  
CONECT    1   19   23   31   32                                       
CONECT    2    3    3    7   24                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    6   27                                       
CONECT    6    5    7    7   35                                       
CONECT    7    2    6    6   36                                       
CONECT    8    9    9   13   27                                       
CONECT    9    8    8   10   37                                       
CONECT   10    9   11   11   38                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   39                                       
CONECT   13    8   12   12   40                                       
CONECT   14   11   28   29   30                                       
CONECT   15   16   41                                                 
CONECT   16   15   17   42                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19    1   17   20   24                                       
CONECT   20   19   21   43   44                                       
CONECT   21   20   22   45   46                                       
CONECT   22   21   23                                                 
CONECT   23    1   22   47   48                                       
CONECT   24    2   19   25   25                                       
CONECT   24   26   26                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27    5    8                                                 
CONECT   28   14                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
