COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.100  -0.848   0.047  1.00  0.00           C  
HETATM    2  O   UNL     1       3.364  -1.294  -0.046  1.00  0.00           O  
HETATM    3  C   UNL     1       1.757  -4.423   0.037  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.974   0.524   0.330  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.431   0.048   0.492  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.250  -1.258   0.566  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.212  -2.292   1.075  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.918  -1.803   0.378  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.834   0.839  -0.726  1.00  0.00           C  
HETATM   10  C   UNL     1       2.141  -5.273  -1.176  1.00  0.00           C  
HETATM   11  C   UNL     1       2.876  -5.461   0.153  1.00  0.00           C  
HETATM   12  C   UNL     1       4.683   2.872  -0.527  1.00  0.00           C  
HETATM   13  C   UNL     1       4.135   3.994   0.360  1.00  0.00           C  
HETATM   14  C   UNL     1       2.651   4.201   0.044  1.00  0.00           C  
HETATM   15  C   UNL     1       4.094   1.536  -0.069  1.00  0.00           C  
HETATM   16  S   UNL     1       0.215   2.628   0.196  1.00  0.00           S  
HETATM   17  C   UNL     1       0.356   0.931   0.176  1.00  0.00           C  
HETATM   18  C   UNL     1       1.664   0.555   0.086  1.00  0.00           C  
HETATM   19  C   UNL     1       2.584   1.676   0.032  1.00  0.00           C  
HETATM   20  C   UNL     1       1.953   2.856   0.081  1.00  0.00           C  
HETATM   21  N   UNL     1       1.323  -1.920   0.091  1.00  0.00           N  
HETATM   22  C   UNL     1       2.155  -2.970   0.023  1.00  0.00           C  
HETATM   23  N   UNL     1       3.368  -2.507  -0.057  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.715   0.049   0.242  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.013  -0.332   0.394  1.00  0.00           N  
HETATM   26  O   UNL     1      -2.171   1.723   0.350  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.155   0.800  -1.724  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.949   1.586  -0.702  1.00  0.00           O  
HETATM   29  H   UNL     1       0.811  -4.647   0.529  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.597   0.641   1.391  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.074  -1.156   1.273  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.621  -1.537  -0.421  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.114  -2.244   2.160  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.473  -3.299   0.752  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.040  -2.132   0.934  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.877  -2.171  -0.647  1.00  0.00           H  
HETATM   37  H   UNL     1       1.447  -6.055  -1.482  1.00  0.00           H  
HETATM   38  H   UNL     1       2.682  -4.780  -1.984  1.00  0.00           H  
HETATM   39  H   UNL     1       3.899  -5.092   0.219  1.00  0.00           H  
HETATM   40  H   UNL     1       2.664  -6.367   0.721  1.00  0.00           H  
HETATM   41  H   UNL     1       4.402   3.058  -1.564  1.00  0.00           H  
HETATM   42  H   UNL     1       5.769   2.839  -0.444  1.00  0.00           H  
HETATM   43  H   UNL     1       4.250   3.719   1.408  1.00  0.00           H  
HETATM   44  H   UNL     1       4.682   4.916   0.162  1.00  0.00           H  
HETATM   45  H   UNL     1       2.208   4.864   0.788  1.00  0.00           H  
HETATM   46  H   UNL     1       2.546   4.640  -0.948  1.00  0.00           H  
HETATM   47  H   UNL     1       4.342   0.760  -0.794  1.00  0.00           H  
HETATM   48  H   UNL     1       4.503   1.272   0.906  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.558  -0.908   0.226  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.167   2.075  -1.507  1.00  0.00           H  
CONECT    1   18   21   21    2                                       
CONECT    2    1   23                                                 
CONECT    3   22   10   11   29                                       
CONECT    4   24   25   26   26                                       
CONECT    5   25    6    9   30                                       
CONECT    6    5    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8   25    7   35   36                                       
CONECT    9    5   27   27   28                                       
CONECT   10    3   11   37   38                                       
CONECT   11    3   10   39   40                                       
CONECT   12   13   15   41   42                                       
CONECT   13   12   14   43   44                                       
CONECT   14   13   20   45   46                                       
CONECT   15   12   19   47   48                                       
CONECT   16   17   20                                                 
CONECT   17   16   18   18   24                                       
CONECT   18   17   17   19    1                                       
CONECT   19   15   18   20   20                                       
CONECT   20   14   16   19   19                                       
CONECT   21    1    1   22                                            
CONECT   22   21   23   23    3                                       
CONECT   23   22   22    2                                            
CONECT   24   17    4   49                                            
CONECT   25    4    5    8                                            
CONECT   26    4    4                                                 
CONECT   27    9    9                                                 
CONECT   28    9   50                                                 
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   24                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
