COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.068  -0.575   1.486  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.399   0.140   0.333  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.687   0.040  -0.197  1.00  0.00           C  
HETATM    4  O   UNL     1       1.738   0.628   0.128  1.00  0.00           O  
HETATM    5  O   UNL     1       4.426   2.920   0.382  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.212   1.957  -0.503  1.00  0.00           C  
HETATM    7  C   UNL     1       1.135   1.937   0.224  1.00  0.00           C  
HETATM    8  C   UNL     1       2.136   2.885  -0.474  1.00  0.00           C  
HETATM    9  C   UNL     1       3.489   2.145  -0.368  1.00  0.00           C  
HETATM   10  C   UNL     1       3.145   0.838   0.380  1.00  0.00           C  
HETATM   11  C   UNL     1       3.555  -1.122  -1.156  1.00  0.00           C  
HETATM   12  C   UNL     1       5.531  -1.764  -0.536  1.00  0.00           C  
HETATM   13  C   UNL     1       5.180  -0.662   0.262  1.00  0.00           C  
HETATM   14  C   UNL     1       7.198  -0.828   1.349  1.00  0.00           C  
HETATM   15  C   UNL     1       6.782  -2.367  -0.321  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.682   1.621  -1.324  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.391   1.000  -0.321  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.622  -0.763   0.420  1.00  0.00           C  
HETATM   19  S   UNL     1      -7.248  -0.891  -0.248  1.00  0.00           S  
HETATM   20  O   UNL     1      -7.219  -1.974  -1.168  1.00  0.00           O  
HETATM   21  O   UNL     1      -8.141  -0.833   0.855  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.288  -1.470   1.562  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.014  -1.375   2.092  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.150   1.094   0.193  1.00  0.00           O  
HETATM   25  O   UNL     1       2.197   4.139   0.209  1.00  0.00           O  
HETATM   26  N   UNL     1       3.930  -0.277  -0.154  1.00  0.00           N  
HETATM   27  N   UNL     1       6.037  -0.231   1.181  1.00  0.00           N  
HETATM   28  N   UNL     1       7.576  -1.862   0.618  1.00  0.00           N  
HETATM   29  N   UNL     1       7.179  -3.461  -1.070  1.00  0.00           N  
HETATM   30  N   UNL     1       4.494  -1.995  -1.376  1.00  0.00           N  
HETATM   31  H   UNL     1      -2.072  -0.506   1.899  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.949   0.591  -1.088  1.00  0.00           H  
HETATM   33  H   UNL     1       4.631   3.779  -0.012  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.600   2.976  -0.521  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.079   1.601  -1.524  1.00  0.00           H  
HETATM   36  H   UNL     1       1.006   2.220   1.268  1.00  0.00           H  
HETATM   37  H   UNL     1       1.860   3.030  -1.518  1.00  0.00           H  
HETATM   38  H   UNL     1       3.883   1.927  -1.361  1.00  0.00           H  
HETATM   39  H   UNL     1       3.326   0.952   1.449  1.00  0.00           H  
HETATM   40  H   UNL     1       2.614  -1.076  -1.685  1.00  0.00           H  
HETATM   41  H   UNL     1       7.872  -0.453   2.105  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.024  -2.098   2.040  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.757  -1.933   2.981  1.00  0.00           H  
HETATM   44  H   UNL     1       2.810   4.773  -0.187  1.00  0.00           H  
HETATM   45  H   UNL     1       6.591  -3.820  -1.752  1.00  0.00           H  
HETATM   46  H   UNL     1       8.045  -3.868  -0.912  1.00  0.00           H  
HETATM   47  F   UNL     1      -7.512   0.438  -1.118  1.00  0.00           F  
CONECT    1    2    2   23   31                                       
CONECT    2   17    1    1    3                                       
CONECT    3    2   18   18   32                                       
CONECT    4    7   10                                                 
CONECT    5    9   33                                                 
CONECT    6    7   24   34   35                                       
CONECT    7    4    6    8   36                                       
CONECT    8   25    7    9   37                                       
CONECT    9   10    8    5   38                                       
CONECT   10    4   26    9   39                                       
CONECT   11   26   30   30   40                                       
CONECT   12   13   13   15   30                                       
CONECT   13   27   26   12   12                                       
CONECT   14   27   27   28   41                                       
CONECT   15   28   28   12   29                                       
CONECT   16   17   17                                                 
CONECT   17   24   16   16    2                                       
CONECT   18    3    3   22   19                                       
CONECT   19   18   21   21   20                                       
CONECT   19   20   47                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   23   23   18   42                                       
CONECT   23    1   22   22   43                                       
CONECT   24    6   17                                                 
CONECT   25    8   44                                                 
CONECT   26   10   13   11                                            
CONECT   27   14   14   13                                            
CONECT   28   14   15   15                                            
CONECT   29   15   45   46                                            
CONECT   30   12   11   11                                            
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
CONECT   47   19                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
