COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.101   0.303   0.033  1.00  0.00           N  
HETATM    2  C   UNL     1      10.227   0.126  -0.252  1.00  0.00           C  
HETATM    3  O   UNL     1      11.626  -0.065  -0.035  1.00  0.00           O  
HETATM    4  C   UNL     1       9.438  -0.594   0.843  1.00  0.00           C  
HETATM    5  C   UNL     1       0.680  -0.093   0.507  1.00  0.00           C  
HETATM    6  C   UNL     1       2.017  -0.276   0.716  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.207   0.855  -0.811  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.536   0.499  -0.190  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.313  -0.658   0.442  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.021  -0.709   1.943  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.812  -0.447   0.220  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.937  -3.406   0.446  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.969   1.798   0.440  1.00  0.00           C  
HETATM   14  C   UNL     1       7.997  -0.397   0.620  1.00  0.00           C  
HETATM   15  C   UNL     1       6.847  -0.240   0.441  1.00  0.00           C  
HETATM   16  C   UNL     1       5.498  -0.056   0.232  1.00  0.00           C  
HETATM   17  C   UNL     1       4.348   0.101   0.054  1.00  0.00           C  
HETATM   18  C   UNL     1       2.946   0.293  -0.163  1.00  0.00           C  
HETATM   19  C   UNL     1       2.503   1.048  -1.256  1.00  0.00           C  
HETATM   20  C   UNL     1       1.166   1.230  -1.462  1.00  0.00           C  
HETATM   21  C   UNL     1       0.239   0.657  -0.587  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.042   2.456  -0.043  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.591   1.515  -1.757  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.090  -2.157  -1.716  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.478  -2.520   0.095  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.353   2.250   1.381  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.510   3.622   0.610  1.00  0.00           O  
HETATM   28  S   UNL     1      -3.802  -2.220  -0.326  1.00  0.00           S  
HETATM   29  H   UNL     1      -1.795  -0.228   0.785  1.00  0.00           H  
HETATM   30  H   UNL     1       9.997   1.191  -0.225  1.00  0.00           H  
HETATM   31  H   UNL     1       9.951  -0.280  -1.225  1.00  0.00           H  
HETATM   32  H   UNL     1      12.189   0.365  -0.694  1.00  0.00           H  
HETATM   33  H   UNL     1       9.668  -1.659   0.816  1.00  0.00           H  
HETATM   34  H   UNL     1       9.714  -0.188   1.816  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.037  -0.532   1.185  1.00  0.00           H  
HETATM   36  H   UNL     1       2.358  -0.859   1.559  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.737   0.529  -1.260  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.328   0.229   2.405  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.575  -1.533   2.393  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.953  -0.859   2.101  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.019  -0.411  -0.849  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.365  -1.272   0.670  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.119   0.491   0.682  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.732  -4.406   0.063  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.794  -3.395   1.526  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.965  -3.131   0.212  1.00  0.00           H  
HETATM   47  H   UNL     1       3.220   1.488  -1.934  1.00  0.00           H  
HETATM   48  H   UNL     1       0.824   1.813  -2.305  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.493   2.130  -0.837  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.283   4.024   0.191  1.00  0.00           H  
CONECT    1    7    8   29                                            
CONECT    2    3    4   30   31                                       
CONECT    3    2   32                                                 
CONECT    4    2   14   33   34                                       
CONECT    5    6    6   21   35                                       
CONECT    6   18    5    5   36                                       
CONECT    7   21   23   23    1                                       
CONECT    8    1    9   13   37                                       
CONECT    9   28   10    8   11                                       
CONECT   10    9   38   39   40                                       
CONECT   11    9   41   42   43                                       
CONECT   12   28   44   45   46                                       
CONECT   13    8   26   26   22                                       
CONECT   14    4   15   15   15                                       
CONECT   15   14   14   14   16                                       
CONECT   16   15   17   17   17                                       
CONECT   17   16   16   16   18                                       
CONECT   18   17   19   19    6                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   21   21   48                                       
CONECT   21   20   20    5    7                                       
CONECT   22   13   27   49                                            
CONECT   23    7    7                                                 
CONECT   24   28   28                                                 
CONECT   25   28   28                                                 
CONECT   26   13   13                                                 
CONECT   27   22   50                                                 
CONECT   28   12   24   24   25                                       
CONECT   28   25    9                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
