COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNK A   1      -0.681  -1.026   0.443  1.00  0.00           S  
HETATM    2  C   UNK A   1      -2.405  -1.079   1.032  1.00  0.00           C  
HETATM    3  C   UNK A   1      -3.356  -0.713  -0.083  1.00  0.00           C  
HETATM    4  N   UNK A   1      -3.684   0.718   0.052  1.00  0.00           N  
HETATM    5  C   UNK A   0      -2.828   1.589  -0.609  1.00  0.00           C  
HETATM    6  C   UNK A   0      -1.405   1.592  -0.025  1.00  0.00           C  
HETATM    7  C   UNK A   0      -0.718   2.918  -0.357  1.00  0.00           C  
HETATM    8  O   UNK A   0      -1.442   3.993   0.245  1.00  0.00           O  
HETATM    9  C   UNK A   1      -4.612  -1.538   0.027  1.00  0.00           C  
HETATM   10  O   UNK A   1      -5.606  -1.062   0.522  1.00  0.00           O  
HETATM   11  O   UNK A   1      -4.627  -2.802  -0.426  1.00  0.00           O  
HETATM   12  C   UNK A   1      -0.619   0.452  -0.627  1.00  0.00           C  
HETATM   13  C   UNK A   1       0.838   0.885  -0.803  1.00  0.00           C  
HETATM   14  N   UNK A   1       1.619  -0.197  -1.458  1.00  0.00           N  
HETATM   15  N   UNK A   1       2.937  -0.147  -0.833  1.00  0.00           N  
HETATM   16  C   UNK A   1       2.651   0.081   0.604  1.00  0.00           C  
HETATM   17  C   UNK A   1       1.501   1.102   0.577  1.00  0.00           C  
HETATM   18  C   UNK A   1       3.719  -1.373  -0.999  1.00  0.00           C  
HETATM   19  S   UNK A   1       5.354  -1.099  -0.247  1.00  0.00           S  
HETATM   20  C   UNK A   1       4.927  -0.492   1.413  1.00  0.00           C  
HETATM   21  C   UNK A   1       3.893   0.636   1.286  1.00  0.00           C  
HETATM   22  H   UNK A   1      -2.634  -2.084   1.386  1.00  0.00           H  
HETATM   23  H   UNK A   1      -2.527  -0.371   1.853  1.00  0.00           H  
HETATM   24  H   UNK A   1      -2.880  -0.892  -1.047  1.00  0.00           H  
HETATM   25  H   UNK A   1      -3.784   0.976   1.022  1.00  0.00           H  
HETATM   26  H   UNK A   0      -2.776   1.300  -1.659  1.00  0.00           H  
HETATM   27  H   UNK A   0      -3.236   2.598  -0.545  1.00  0.00           H  
HETATM   28  H   UNK A   0      -1.455   1.468   1.057  1.00  0.00           H  
HETATM   29  H   UNK A   0       0.301   2.906   0.028  1.00  0.00           H  
HETATM   30  H   UNK A   0      -0.696   3.055  -1.438  1.00  0.00           H  
HETATM   31  H   UNK A   0      -1.063   4.866   0.076  1.00  0.00           H  
HETATM   32  H   UNK A   1      -5.455  -3.291  -0.333  1.00  0.00           H  
HETATM   33  H   UNK A   1      -1.039   0.205  -1.602  1.00  0.00           H  
HETATM   34  H   UNK A   1       0.890   1.799  -1.394  1.00  0.00           H  
HETATM   35  H   UNK A   1       1.684  -0.043  -2.453  1.00  0.00           H  
HETATM   36  H   UNK A   1       2.326  -0.845   1.079  1.00  0.00           H  
HETATM   37  H   UNK A   1       1.889   2.118   0.659  1.00  0.00           H  
HETATM   38  H   UNK A   1       0.790   0.899   1.378  1.00  0.00           H  
HETATM   39  H   UNK A   1       3.217  -2.201  -0.499  1.00  0.00           H  
HETATM   40  H   UNK A   1       3.833  -1.597  -2.060  1.00  0.00           H  
HETATM   41  H   UNK A   1       4.507  -1.307   2.001  1.00  0.00           H  
HETATM   42  H   UNK A   1       5.824  -0.112   1.903  1.00  0.00           H  
HETATM   43  H   UNK A   1       4.308   1.447   0.687  1.00  0.00           H  
HETATM   44  H   UNK A   1       3.632   1.007   2.277  1.00  0.00           H  
CONECT    1   12    2                                                 
CONECT    2    3    1   22   23                                       
CONECT    3    4    9    2   24                                       
CONECT    4    5    3   25                                            
CONECT    5    4    6   26   27                                       
CONECT    6    5    7   12   28                                       
CONECT    7    6    8   29   30                                       
CONECT    8    7   31                                                 
CONECT    9   10   10    3   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   32                                                 
CONECT   12    6   13    1   33                                       
CONECT   13   14   12   17   34                                       
CONECT   14   15   13   35                                            
CONECT   15   18   14   16                                            
CONECT   16   15   17   21   36                                       
CONECT   17   13   16   37   38                                       
CONECT   18   15   19   39   40                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   41   42                                       
CONECT   21   16   20   43   44                                       
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
