COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.130  -1.869   0.911  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.205  -0.502   0.925  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.852  -1.682   0.609  1.00  0.00           C  
HETATM    4  C   UNL     1       0.045  -0.120   0.716  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.161  -2.710  -0.040  1.00  0.00           C  
HETATM    6  C   UNL     1       4.864   0.535  -0.482  1.00  0.00           C  
HETATM    7  C   UNL     1       4.123   1.077   0.566  1.00  0.00           C  
HETATM    8  C   UNL     1       2.320  -0.356  -0.066  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.922   2.997  -1.306  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.078   2.533   0.154  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.941   1.027   0.060  1.00  0.00           C  
HETATM   12  C   UNL     1       3.836   2.539   2.420  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.770  -3.888  -0.367  1.00  0.00           C  
HETATM   14  C   UNL     1       3.117  -0.843  -1.091  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.042   0.491   1.604  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.686   3.345  -0.788  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.705   1.374   0.578  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.549   1.838  -0.881  1.00  0.00           C  
HETATM   19  C   UNL     1       6.841   0.375  -1.792  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.114  -4.034  -0.028  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.754  -2.991   0.614  1.00  0.00           C  
HETATM   22  C   UNL     1       2.829   0.626   0.781  1.00  0.00           C  
HETATM   23  F   UNL     1      -4.519   3.792  -2.221  1.00  0.00           F  
HETATM   24  F   UNL     1      -0.872   2.872   0.660  1.00  0.00           F  
HETATM   25  F   UNL     1      -4.552  -0.105   0.474  1.00  0.00           F  
HETATM   26  N   UNL     1       4.345  -0.392  -1.267  1.00  0.00           N  
HETATM   27  N   UNL     1       1.018  -0.842   0.113  1.00  0.00           N  
HETATM   28  O   UNL     1       0.349   0.992   1.104  1.00  0.00           O  
HETATM   29  O   UNL     1       0.630  -2.338  -1.820  1.00  0.00           O  
HETATM   30  O   UNL     1       1.289  -3.287   0.383  1.00  0.00           O  
HETATM   31  O   UNL     1       6.132   0.969  -0.702  1.00  0.00           O  
HETATM   32  O   UNL     1       4.661   2.035   1.368  1.00  0.00           O  
HETATM   33  S   UNL     1       0.541  -2.369  -0.403  1.00  0.00           S  
HETATM   34  H   UNL     1       2.937   2.985   1.995  1.00  0.00           H  
HETATM   35  H   UNL     1       3.557   1.722   3.086  1.00  0.00           H  
HETATM   36  H   UNL     1       4.385   3.295   2.982  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.230  -4.678  -0.869  1.00  0.00           H  
HETATM   38  H   UNL     1       2.730  -1.605  -1.751  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.805  -0.019   2.192  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.422   1.100   2.262  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.197   4.248  -1.119  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.514   1.567  -1.285  1.00  0.00           H  
HETATM   43  H   UNL     1       6.923  -0.699  -1.630  1.00  0.00           H  
HETATM   44  H   UNL     1       6.301   0.562  -2.721  1.00  0.00           H  
HETATM   45  H   UNL     1       7.838   0.810  -1.857  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.645  -4.945  -0.262  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.796  -3.099   0.879  1.00  0.00           H  
HETATM   48  H   UNL     1       2.230   1.027   1.586  1.00  0.00           H  
CONECT    1   21   21    3                                            
CONECT    2   15    4    3                                            
CONECT    3    1    2    5    5                                       
CONECT    4   28   28    2   27                                       
CONECT    5    3    3   13   33                                       
CONECT    6    7    7   26   31                                       
CONECT    7   22   32    6    6                                       
CONECT    8   27   22   22   14                                       
CONECT    9   18   23   16   16                                       
CONECT   10   17   17   16   24                                       
CONECT   11   25   18   18   17                                       
CONECT   12   32   34   35   36                                       
CONECT   13   20   20    5   37                                       
CONECT   14    8   26   26   38                                       
CONECT   15   17    2   39   40                                       
CONECT   16    9    9   10   41                                       
CONECT   17   11   15   10   10                                       
CONECT   18   11   11    9   42                                       
CONECT   19   31   43   44   45                                       
CONECT   20   21   13   13   46                                       
CONECT   21    1    1   20   47                                       
CONECT   22    8    8    7   48                                       
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   14   14    6                                            
CONECT   27    4    8   33                                            
CONECT   28    4    4                                                 
CONECT   29   33   33                                                 
CONECT   30   33   33                                                 
CONECT   31    6   19                                                 
CONECT   32   12    7                                                 
CONECT   33   27    5   30   30                                       
CONECT   33   29   29                                                 
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
