COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.073   0.375  -0.237  1.00  0.00           C  
HETATM    2  O   UNL     1       4.461   0.087  -0.420  1.00  0.00           O  
HETATM    3  C   UNL     1       2.830   0.817   1.208  1.00  0.00           C  
HETATM    4  O   UNL     1       3.164  -0.251   2.097  1.00  0.00           O  
HETATM    5  C   UNL     1       1.352   1.182   1.380  1.00  0.00           C  
HETATM    6  O   UNL     1       1.130   1.666   2.707  1.00  0.00           O  
HETATM    7  C   UNL     1       0.986   2.274   0.370  1.00  0.00           C  
HETATM    8  C   UNL     1       1.301   1.776  -1.043  1.00  0.00           C  
HETATM    9  O   UNL     1       2.684   1.424  -1.126  1.00  0.00           O  
HETATM   10  C   UNL     1       0.995   2.883  -2.054  1.00  0.00           C  
HETATM   11  O   UNL     1       1.177   2.381  -3.380  1.00  0.00           O  
HETATM   12  S   UNL     1      -0.783   2.651   0.499  1.00  0.00           S  
HETATM   13  O   UNL     1       1.035  -2.584   1.506  1.00  0.00           O  
HETATM   14  P   UNL     1       1.079  -2.858   0.052  1.00  0.00           P  
HETATM   15  O   UNL     1       2.578  -2.632  -0.490  1.00  0.00           O  
HETATM   16  O   UNL     1       0.633  -4.380  -0.221  1.00  0.00           O  
HETATM   17  O   UNL     1       0.075  -1.859  -0.713  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.310  -1.743  -0.382  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.969  -0.710  -1.299  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.410   0.580  -1.043  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.475  -0.675  -1.028  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.027  -1.978  -1.228  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.716  -0.233   0.418  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.121  -0.126   0.658  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.053   1.130   0.641  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.209   1.519   2.007  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.563   1.025   0.306  1.00  0.00           C  
HETATM   28  H   UNL     1       2.485  -0.518  -0.448  1.00  0.00           H  
HETATM   29  H   UNL     1       4.688  -0.200  -1.315  1.00  0.00           H  
HETATM   30  H   UNL     1       3.448   1.686   1.434  1.00  0.00           H  
HETATM   31  H   UNL     1       4.087  -0.535   2.041  1.00  0.00           H  
HETATM   32  H   UNL     1       0.736   0.301   1.204  1.00  0.00           H  
HETATM   33  H   UNL     1       1.342   1.025   3.399  1.00  0.00           H  
HETATM   34  H   UNL     1       1.567   3.173   0.577  1.00  0.00           H  
HETATM   35  H   UNL     1       0.690   0.901  -1.265  1.00  0.00           H  
HETATM   36  H   UNL     1       1.668   3.723  -1.888  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.036   3.213  -1.930  1.00  0.00           H  
HETATM   38  H   UNL     1       1.000   3.030  -4.074  1.00  0.00           H  
HETATM   39  H   UNL     1       3.238  -3.202  -0.072  1.00  0.00           H  
HETATM   40  H   UNL     1       0.639  -4.630  -1.155  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.797  -2.709  -0.514  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.410  -1.424   0.655  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.792  -0.983  -2.339  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.951   0.031  -1.710  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.980  -2.029  -1.073  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.283  -0.965   1.100  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.346   0.151   1.557  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.520   1.873  -0.005  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.812   2.375   2.220  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.088   0.312   0.980  1.00  0.00           H  
CONECT    1    3    2    9   28                                       
CONECT    2    1   29                                                 
CONECT    3    5    4    1   30                                       
CONECT    4    3   31                                                 
CONECT    5    7    3    6   32                                       
CONECT    6    5   33                                                 
CONECT    7   12    8    5   34                                       
CONECT    8    7    9   10   35                                       
CONECT    9    1    8                                                 
CONECT   10    8   11   37   36                                       
CONECT   11   10   38                                                 
CONECT   12   27    7                                                 
CONECT   13   14   14                                                 
CONECT   14   13   13   15   17                                       
CONECT   14   16                                                      
CONECT   15   14   39                                                 
CONECT   16   14   40                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   41   42                                       
CONECT   19   18   20   21   43                                       
CONECT   20   19   27                                                 
CONECT   21   19   22   23   44                                       
CONECT   22   21   45                                                 
CONECT   23   21   25   24   46                                       
CONECT   24   23   47                                                 
CONECT   25   23   27   26   48                                       
CONECT   26   25   49                                                 
CONECT   27   20   25   12   50                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
