COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.853   0.174   2.925  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.020   1.121   3.892  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.354   0.979   5.118  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.514  -0.142   5.332  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.371  -1.097   4.318  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.032  -0.930   3.138  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.485   1.922   6.156  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.809   1.718   7.318  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.032   0.658   7.502  1.00  0.00           N  
HETATM   10  C   UNL     1       0.140  -0.266   6.577  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.893  -0.668  -5.124  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.700  -1.421  -5.950  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.874  -0.846  -6.414  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.175   0.450  -6.024  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.392   1.143  -5.238  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.236   0.649  -4.749  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.276   1.296  -3.870  1.00  0.00           C  
HETATM   18  C   UNL     1       0.828   0.630  -3.497  1.00  0.00           C  
HETATM   19  S   UNL     1       0.652  -0.950  -4.303  1.00  0.00           S  
HETATM   20  N   UNL     1       0.256  -1.584   1.188  1.00  0.00           N  
HETATM   21  C   UNL     1       0.154  -0.812   0.092  1.00  0.00           C  
HETATM   22  C   UNL     1       1.516  -0.624  -0.538  1.00  0.00           C  
HETATM   23  C   UNL     1       2.510  -1.058   0.563  1.00  0.00           C  
HETATM   24  C   UNL     1       1.642  -2.012   1.413  1.00  0.00           C  
HETATM   25  N   UNL     1       1.731   0.779  -0.898  1.00  0.00           N  
HETATM   26  S   UNL     1       2.135   1.182  -2.453  1.00  0.00           S  
HETATM   27  O   UNL     1       2.097   2.602  -2.506  1.00  0.00           O  
HETATM   28  O   UNL     1       3.258   0.376  -2.781  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.877  -0.331  -0.324  1.00  0.00           O  
HETATM   30  N   UNL     1       0.964  -1.350   6.824  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.872  -1.955   2.045  1.00  0.00           C  
HETATM   32  H   UNL     1      -2.366   0.282   1.981  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.659   1.973   3.715  1.00  0.00           H  
HETATM   34  H   UNL     1       0.261  -1.959   4.468  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.113   2.792   6.031  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.908   2.439   8.116  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.426  -2.427  -6.229  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.539  -1.396  -7.064  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.088   0.903  -6.382  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.447   2.304  -3.523  1.00  0.00           H  
HETATM   41  H   UNL     1       1.617  -1.262  -1.416  1.00  0.00           H  
HETATM   42  H   UNL     1       2.839  -0.201   1.152  1.00  0.00           H  
HETATM   43  H   UNL     1       3.363  -1.584   0.134  1.00  0.00           H  
HETATM   44  H   UNL     1       1.899  -1.918   2.467  1.00  0.00           H  
HETATM   45  H   UNL     1       1.777  -3.041   1.081  1.00  0.00           H  
HETATM   46  H   UNL     1       1.637   1.472  -0.226  1.00  0.00           H  
HETATM   47  H   UNL     1       1.416  -1.432   7.678  1.00  0.00           H  
HETATM   48  H   UNL     1       1.086  -2.031   6.144  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.685  -2.933   2.490  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.783  -1.996   1.449  1.00  0.00           H  
CONECT    1    2    2    6   32                                       
CONECT    2    1    1    3   33                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   34                                       
CONECT    6    1    5    5   31                                       
CONECT    7    3    8    8   35                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8   10   10                                            
CONECT   10    4    9    9   30                                       
CONECT   11   12   16   16   19                                       
CONECT   12   11   13   13   37                                       
CONECT   13   12   12   14   38                                       
CONECT   14   13   15   15   39                                       
CONECT   15   14   14   16                                            
CONECT   16   11   11   15   17                                       
CONECT   17   16   18   18   40                                       
CONECT   18   17   17   19   26                                       
CONECT   19   11   18                                                 
CONECT   20   21   24   31                                            
CONECT   21   20   22   29   29                                       
CONECT   22   21   23   25   41                                       
CONECT   23   22   24   42   43                                       
CONECT   24   20   23   44   45                                       
CONECT   25   22   26   46                                            
CONECT   26   18   25   27   27                                       
CONECT   26   28   28                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   21   21                                                 
CONECT   30   10   47   48                                            
CONECT   31    6   20   49   50                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   30                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
CONECT   50   31                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
