COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.728  -0.681   5.624  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.517  -0.094   5.666  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.894   0.811   4.682  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.016   1.129   3.653  1.00  0.00           C  
HETATM    5  C   UNL     1       1.233   0.550   3.608  1.00  0.00           C  
HETATM    6  C   UNL     1       1.612  -0.364   4.591  1.00  0.00           C  
HETATM    7  C   UNL     1       2.951  -0.992   4.542  1.00  0.00           C  
HETATM    8  N   UNL     1       3.775  -0.695   3.578  1.00  0.00           N  
HETATM    9  N   UNL     1       3.326  -1.891   5.517  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.429   2.113   2.589  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.122   1.387   4.727  1.00  0.00           O  
HETATM   12  C   UNL     1       0.908   0.958  -4.477  1.00  0.00           C  
HETATM   13  C   UNL     1       1.565   1.920  -5.214  1.00  0.00           C  
HETATM   14  C   UNL     1       2.906   1.715  -5.505  1.00  0.00           C  
HETATM   15  C   UNL     1       3.514   0.558  -5.043  1.00  0.00           C  
HETATM   16  N   UNL     1       2.868  -0.339  -4.345  1.00  0.00           N  
HETATM   17  C   UNL     1       1.564  -0.207  -4.024  1.00  0.00           C  
HETATM   18  C   UNL     1       0.724  -1.113  -3.257  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.563  -0.799  -3.050  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.747   0.771  -3.872  1.00  0.00           S  
HETATM   21  N   UNL     1      -1.279   1.438   1.604  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.815   0.740   0.554  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.969   0.171  -0.242  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.182   0.287   0.709  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.746   1.444   1.635  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.720  -1.230  -0.586  1.00  0.00           N  
HETATM   27  S   UNL     1      -1.781  -1.718  -2.168  1.00  0.00           S  
HETATM   28  O   UNL     1      -1.329  -3.065  -2.174  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.036  -1.269  -2.662  1.00  0.00           O  
HETATM   30  O   UNL     1       0.357   0.583   0.287  1.00  0.00           O  
HETATM   31  H   UNL     1       1.020  -1.385   6.388  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.202  -0.339   6.465  1.00  0.00           H  
HETATM   33  H   UNL     1       1.915   0.798   2.808  1.00  0.00           H  
HETATM   34  H   UNL     1       3.511  -0.062   2.892  1.00  0.00           H  
HETATM   35  H   UNL     1       4.204  -2.303   5.485  1.00  0.00           H  
HETATM   36  H   UNL     1       2.714  -2.109   6.237  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.983   2.932   3.047  1.00  0.00           H  
HETATM   38  H   UNL     1       0.458   2.506   2.094  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.032   2.200   5.243  1.00  0.00           H  
HETATM   40  H   UNL     1       1.052   2.807  -5.554  1.00  0.00           H  
HETATM   41  H   UNL     1       3.463   2.441  -6.080  1.00  0.00           H  
HETATM   42  H   UNL     1       4.558   0.393  -5.267  1.00  0.00           H  
HETATM   43  H   UNL     1       1.133  -2.032  -2.862  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.133   0.761  -1.143  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.324  -0.633   1.274  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.086   0.548   0.158  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.103   1.269   2.650  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.128   2.393   1.259  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.519  -1.873   0.111  1.00  0.00           H  
CONECT    1    2    2    6   31                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2    4    4   11                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   33                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   34                                            
CONECT    9    7   35   36                                            
CONECT   10    4   21   37   38                                       
CONECT   11    3   39                                                 
CONECT   12   13   17   17   20                                       
CONECT   13   12   14   14   40                                       
CONECT   14   13   13   15   41                                       
CONECT   15   14   16   16   42                                       
CONECT   16   15   15   17                                            
CONECT   17   12   12   16   18                                       
CONECT   18   17   19   19   43                                       
CONECT   19   18   18   20   27                                       
CONECT   20   12   19                                                 
CONECT   21   10   22   25                                            
CONECT   22   21   23   30   30                                       
CONECT   23   22   24   26   44                                       
CONECT   24   23   25   45   46                                       
CONECT   25   21   24   47   48                                       
CONECT   26   23   27   49                                            
CONECT   27   19   26   28   28                                       
CONECT   27   29   29                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   22   22                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
