COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.420   0.052  -8.703  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.081   0.413  -7.544  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.367   0.636  -6.381  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.992   0.497  -6.378  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.330   0.141  -7.538  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.045  -0.085  -8.700  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.213   0.740  -5.111  1.00  0.00           C  
HETATM    8  S   UNL     1      -0.068  -0.812  -4.183  1.00  0.00           S  
HETATM    9  O   UNL     1       0.798  -1.731  -4.833  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.316  -1.211  -3.633  1.00  0.00           O  
HETATM   11  N   UNL     1       0.800  -0.371  -2.844  1.00  0.00           N  
HETATM   12  C   UNL     1       0.275   0.649  -1.934  1.00  0.00           C  
HETATM   13  C   UNL     1       0.096   0.052  -0.567  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.947  -0.500  -0.293  1.00  0.00           O  
HETATM   15  N   UNL     1       1.075   0.123   0.376  1.00  0.00           N  
HETATM   16  C   UNL     1       2.255   1.009   0.270  1.00  0.00           C  
HETATM   17  C   UNL     1       2.541   1.373  -1.177  1.00  0.00           C  
HETATM   18  C   UNL     1       1.254   1.821  -1.869  1.00  0.00           C  
HETATM   19  S   UNL     1       3.568  -0.131   0.884  1.00  0.00           S  
HETATM   20  C   UNL     1       2.513  -1.067   2.074  1.00  0.00           C  
HETATM   21  C   UNL     1       1.094  -0.676   1.604  1.00  0.00           C  
HETATM   22  C   UNL     1       0.426   0.111   2.701  1.00  0.00           C  
HETATM   23  O   UNL     1       0.032   1.238   2.485  1.00  0.00           O  
HETATM   24  N   UNL     1       0.266  -0.434   3.923  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.383   0.331   4.989  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.437  -0.513   6.264  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.116   0.287   7.377  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.168  -0.521   8.598  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.738  -0.007   9.739  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.787  -0.766  10.884  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.231   1.198   9.735  1.00  0.00           N  
HETATM   32  H   UNL     1      -2.979  -0.122  -9.611  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.156   0.521  -7.546  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.883   0.918  -5.476  1.00  0.00           H  
HETATM   35  H   UNL     1       0.744   0.033  -7.536  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.529  -0.368  -9.605  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.731   1.480  -4.502  1.00  0.00           H  
HETATM   38  H   UNL     1       0.781   1.108  -5.361  1.00  0.00           H  
HETATM   39  H   UNL     1       1.656  -0.790  -2.662  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.687   1.003  -2.303  1.00  0.00           H  
HETATM   41  H   UNL     1       2.158   1.895   0.897  1.00  0.00           H  
HETATM   42  H   UNL     1       3.270   2.183  -1.209  1.00  0.00           H  
HETATM   43  H   UNL     1       2.946   0.504  -1.695  1.00  0.00           H  
HETATM   44  H   UNL     1       0.805   2.639  -1.306  1.00  0.00           H  
HETATM   45  H   UNL     1       1.484   2.159  -2.879  1.00  0.00           H  
HETATM   46  H   UNL     1       2.691  -0.737   3.097  1.00  0.00           H  
HETATM   47  H   UNL     1       2.674  -2.141   1.977  1.00  0.00           H  
HETATM   48  H   UNL     1       0.521  -1.587   1.435  1.00  0.00           H  
HETATM   49  H   UNL     1       0.581  -1.335   4.096  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.396   0.593   4.683  1.00  0.00           H  
HETATM   51  H   UNL     1       0.185   1.241   5.180  1.00  0.00           H  
HETATM   52  H   UNL     1       0.575  -0.774   6.570  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.006  -1.423   6.072  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.129   0.549   7.071  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.547   1.197   7.568  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.801  -1.419   8.600  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.188  -0.404  11.689  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.423  -1.666  10.886  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.196   1.734   8.927  1.00  0.00           H  
CONECT    1    2    2    6   32                                       
CONECT    2    1    1    3   33                                       
CONECT    3    2    4    4   34                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   35                                       
CONECT    6    1    5    5   36                                       
CONECT    7    4    8   37   38                                       
CONECT    8    7    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   39                                            
CONECT   12   11   13   18   40                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   21                                            
CONECT   16   15   17   19   41                                       
CONECT   17   16   18   42   43                                       
CONECT   18   12   17   44   45                                       
CONECT   19   16   20                                                 
CONECT   20   19   21   46   47                                       
CONECT   21   15   20   22   48                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   49                                            
CONECT   25   24   26   50   51                                       
CONECT   26   25   27   52   53                                       
CONECT   27   26   28   54   55                                       
CONECT   28   27   29   56                                            
CONECT   29   28   30   31   31                                       
CONECT   30   29   57   58                                            
CONECT   31   29   29   59                                            
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
