COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1       0.748  -0.645  -0.603  1.00  0.00           C  
HETATM    2  O   UNK A   1       0.562  -1.685  -1.200  1.00  0.00           O  
HETATM    3  C   UNK A   1       2.151  -0.211  -0.265  1.00  0.00           C  
HETATM    4  C   UNK A   1       3.039  -1.432  -0.019  1.00  0.00           C  
HETATM    5  C   UNK A   1       2.611  -2.121   1.279  1.00  0.00           C  
HETATM    6  C   UNK A   1       1.205  -2.698   1.111  1.00  0.00           C  
HETATM    7  C   UNK A   1       3.591  -3.250   1.603  1.00  0.00           C  
HETATM    8  O   UNK A   1       4.402  -1.017   0.088  1.00  0.00           O  
HETATM    9  N   UNK A   1       2.142   0.657   0.919  1.00  0.00           N  
HETATM   10  C   UNK A   1       2.943   1.724   0.748  1.00  0.00           C  
HETATM   11  O   UNK A   1       3.125   2.594   1.573  1.00  0.00           O  
HETATM   12  C   UNK A   1       3.583   1.680  -0.622  1.00  0.00           C  
HETATM   13  C   UNK A   1       3.514   3.055  -1.289  1.00  0.00           C  
HETATM   14  C   UNK A   1       2.732   0.652  -1.407  1.00  0.00           C  
HETATM   15  O   UNK A   1       1.691   1.303  -2.137  1.00  0.00           O  
HETATM   16  H   UNK A   1       2.935  -2.129  -0.851  1.00  0.00           H  
HETATM   17  H   UNK A   1       2.612  -1.395   2.092  1.00  0.00           H  
HETATM   18  H   UNK A   1       1.155  -3.271   0.185  1.00  0.00           H  
HETATM   19  H   UNK A   1       0.976  -3.349   1.954  1.00  0.00           H  
HETATM   20  H   UNK A   1       0.480  -1.885   1.073  1.00  0.00           H  
HETATM   21  H   UNK A   1       3.658  -3.928   0.752  1.00  0.00           H  
HETATM   22  H   UNK A   1       4.575  -2.829   1.811  1.00  0.00           H  
HETATM   23  H   UNK A   1       3.238  -3.797   2.477  1.00  0.00           H  
HETATM   24  H   UNK A   1       4.567  -0.394   0.809  1.00  0.00           H  
HETATM   25  H   UNK A   1       1.626   0.484   1.721  1.00  0.00           H  
HETATM   26  H   UNK A   1       4.617   1.344  -0.549  1.00  0.00           H  
HETATM   27  H   UNK A   1       4.064   3.779  -0.688  1.00  0.00           H  
HETATM   28  H   UNK A   1       3.956   2.998  -2.284  1.00  0.00           H  
HETATM   29  H   UNK A   1       2.473   3.367  -1.372  1.00  0.00           H  
HETATM   30  H   UNK A   1       3.356   0.053  -2.070  1.00  0.00           H  
HETATM   31  H   UNK A   1       2.007   1.856  -2.865  1.00  0.00           H  
HETATM   32  S   UNK A   1      -0.583   0.331  -0.149  1.00  0.00           S  
HETATM   33  C   UNK A   1      -1.943  -0.667  -0.807  1.00  0.00           C  
HETATM   34  C   UNK A   1      -3.274   0.027  -0.512  1.00  0.00           C  
HETATM   35  C   UNK A   1      -4.406  -0.803  -1.059  1.00  0.00           C  
HETATM   36  O   UNK A   1      -5.260  -1.226  -0.317  1.00  0.00           O  
HETATM   37  O   UNK A   1      -4.466  -1.073  -2.373  1.00  0.00           O  
HETATM   38  N   UNK A   1      -3.435   0.178   0.937  1.00  0.00           N  
HETATM   39  C   UNK A   0      -4.220   1.156   1.429  1.00  0.00           C  
HETATM   40  C   UNK A   0      -4.387   1.311   2.919  1.00  0.00           C  
HETATM   41  O   UNK A   0      -4.793   1.913   0.673  1.00  0.00           O  
HETATM   42  H   UNK A   1      -1.823  -0.779  -1.884  1.00  0.00           H  
HETATM   43  H   UNK A   1      -1.934  -1.650  -0.336  1.00  0.00           H  
HETATM   44  H   UNK A   1      -3.284   1.010  -0.982  1.00  0.00           H  
HETATM   45  H   UNK A   1      -5.210  -1.610  -2.678  1.00  0.00           H  
HETATM   46  H   UNK A   1      -2.977  -0.427   1.541  1.00  0.00           H  
HETATM   47  H   UNK A   0      -3.619   1.984   3.302  1.00  0.00           H  
HETATM   48  H   UNK A   0      -5.372   1.724   3.134  1.00  0.00           H  
HETATM   49  H   UNK A   0      -4.288   0.338   3.399  1.00  0.00           H  
CONECT    1    2    2    3   32                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    9   14                                       
CONECT    4    3    5    8   16                                       
CONECT    5    4    6    7   17                                       
CONECT    6    5   18   19   20                                       
CONECT    7    5   21   22   23                                       
CONECT    8    4   24                                                 
CONECT    9    3   10   25                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   14   26                                       
CONECT   13   12   27   28   29                                       
CONECT   14    3   12   15   30                                       
CONECT   15   14   31                                                 
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32    1   33                                                 
CONECT   33   32   34   42   43                                       
CONECT   34   33   35   38   44                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   45                                                 
CONECT   38   34   39   46                                            
CONECT   39   38   40   41   41                                       
CONECT   40   39   47   48   49                                       
CONECT   41   39   39                                                 
CONECT   42   33                                                      
CONECT   43   33                                                      
CONECT   44   34                                                      
CONECT   45   37                                                      
CONECT   46   38                                                      
CONECT   47   40                                                      
CONECT   48   40                                                      
CONECT   49   40                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
