COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -0.829   1.877  -1.277  1.00  0.00           S  
HETATM    2  C   UNL     1       0.093   0.573  -2.014  1.00  0.00           C  
HETATM    3  C   UNL     1       1.323   1.003  -2.303  1.00  0.00           C  
HETATM    4  C   UNL     1       1.574   2.322  -1.967  1.00  0.00           C  
HETATM    5  C   UNL     1       0.548   2.964  -1.405  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.426  -0.817  -2.279  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.161  -1.667  -1.116  1.00  0.00           N  
HETATM    8  C   UNL     1       1.094  -2.417  -1.027  1.00  0.00           C  
HETATM    9  C   UNL     1       2.134  -1.576  -0.333  1.00  0.00           C  
HETATM   10  N   UNL     1       1.798  -0.388   0.068  1.00  0.00           N  
HETATM   11  C   UNL     1       2.681   0.426   0.700  1.00  0.00           C  
HETATM   12  C   UNL     1       3.997  -0.035   0.925  1.00  0.00           C  
HETATM   13  C   UNL     1       4.922   0.782   1.572  1.00  0.00           C  
HETATM   14  C   UNL     1       4.542   2.039   1.989  1.00  0.00           C  
HETATM   15  C   UNL     1       3.249   2.495   1.770  1.00  0.00           C  
HETATM   16  C   UNL     1       2.320   1.704   1.132  1.00  0.00           C  
HETATM   17  C   UNL     1       4.345  -1.385   0.458  1.00  0.00           C  
HETATM   18  N   UNL     1       3.374  -2.102  -0.154  1.00  0.00           N  
HETATM   19  O   UNL     1       5.462  -1.842   0.620  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.072  -1.758  -0.127  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.853  -2.462   0.836  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.363  -0.987  -0.218  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.213  -1.265   1.024  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.504  -0.493   0.933  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.610  -1.065   0.332  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.794  -0.357   0.249  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.872   0.923   0.766  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.766   1.494   1.367  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.584   0.784   1.456  1.00  0.00           C  
HETATM   30  H   UNL     1       2.066   0.369  -2.763  1.00  0.00           H  
HETATM   31  H   UNL     1       2.527   2.796  -2.145  1.00  0.00           H  
HETATM   32  H   UNL     1       0.560   3.993  -1.080  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.500  -0.775  -2.462  1.00  0.00           H  
HETATM   34  H   UNL     1       0.076  -1.231  -3.154  1.00  0.00           H  
HETATM   35  H   UNL     1       0.930  -3.333  -0.460  1.00  0.00           H  
HETATM   36  H   UNL     1       1.439  -2.667  -2.030  1.00  0.00           H  
HETATM   37  H   UNL     1       5.929   0.433   1.746  1.00  0.00           H  
HETATM   38  H   UNL     1       5.256   2.675   2.491  1.00  0.00           H  
HETATM   39  H   UNL     1       2.968   3.483   2.103  1.00  0.00           H  
HETATM   40  H   UNL     1       1.317   2.069   0.967  1.00  0.00           H  
HETATM   41  H   UNL     1       3.566  -2.998  -0.472  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.145   0.080  -0.277  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.910  -1.296  -1.109  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.430  -2.332   1.083  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.666  -0.956   1.915  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.548  -2.064  -0.073  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.658  -0.803  -0.221  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.798   1.476   0.700  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.827   2.494   1.771  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.721   1.229   1.929  1.00  0.00           H  
CONECT    1    5    2                                                 
CONECT    2    1    3    3    6                                       
CONECT    3    4    2    2   30                                       
CONECT    4    5    5    3   31                                       
CONECT    5    4    4    1   32                                       
CONECT    6    2    7   33   34                                       
CONECT    7    6    8   20                                            
CONECT    8    9    7   35   36                                       
CONECT    9   10   10    8   18                                       
CONECT   10   11    9    9                                            
CONECT   11   16   10   12   12                                       
CONECT   12   11   11   13   17                                       
CONECT   13   14   14   12   37                                       
CONECT   14   15   13   13   38                                       
CONECT   15   16   16   14   39                                       
CONECT   16   15   15   11   40                                       
CONECT   17   12   18   19   19                                       
CONECT   18    9   17   41                                            
CONECT   19   17   17                                                 
CONECT   20    7   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   42   43                                       
CONECT   23   22   24   44   45                                       
CONECT   24   23   29   29   25                                       
CONECT   25   24   26   26   46                                       
CONECT   26   25   25   27   47                                       
CONECT   27   28   28   26   48                                       
CONECT   28   29   27   27   49                                       
CONECT   29   24   24   28   50                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
