COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.349   1.711   1.839  1.00  0.00           C  
HETATM    2  C   UNL     1       0.959   0.333  -0.598  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.032  -0.951  -0.290  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.436  -1.058  -0.155  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.612  -0.049   0.053  1.00  0.00           C  
HETATM    6  C   UNL     1       0.271   2.950   1.212  1.00  0.00           C  
HETATM    7  C   UNL     1       1.720   2.660   0.815  1.00  0.00           C  
HETATM    8  C   UNL     1       2.511   3.969   0.780  1.00  0.00           C  
HETATM    9  S   UNL     1       1.756   1.888  -0.826  1.00  0.00           S  
HETATM   10  O   UNL     1       3.087   1.550  -1.189  1.00  0.00           O  
HETATM   11  O   UNL     1       0.906   2.588  -1.724  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.396   0.283  -0.472  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.239   0.063  -0.198  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.074  -1.001   0.960  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.421  -1.112   1.215  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.328  -0.275   0.568  1.00  0.00           C  
HETATM   17  S   UNL     1      -9.083  -0.158   0.663  1.00  0.00           S  
HETATM   18  C   UNL     1      -9.085   1.113  -0.476  1.00  0.00           C  
HETATM   19  N   UNL     1      -7.899   1.396  -0.866  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.880   0.685  -0.345  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.497   0.786  -0.594  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.960  -2.265   0.014  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.202  -3.349   0.056  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.896  -3.310  -0.064  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.263  -2.140  -0.238  1.00  0.00           C  
HETATM   26  C   UNL     1       1.128  -2.065  -0.376  1.00  0.00           C  
HETATM   27  C   UNL     1       1.726  -0.835  -0.553  1.00  0.00           C  
HETATM   28  O   UNL     1       3.075  -0.758  -0.687  1.00  0.00           O  
HETATM   29  C   UNL     1       3.804  -1.986  -0.634  1.00  0.00           C  
HETATM   30  C   UNL     1       5.298  -1.700  -0.801  1.00  0.00           C  
HETATM   31  O   UNL     1       5.764  -0.936   0.312  1.00  0.00           O  
HETATM   32  P   UNL     1       7.293  -0.454   0.466  1.00  0.00           P  
HETATM   33  O   UNL     1       7.487   0.266   1.893  1.00  0.00           O  
HETATM   34  O   UNL     1       8.190  -1.628   0.380  1.00  0.00           O  
HETATM   35  O   UNL     1       7.650   0.583  -0.712  1.00  0.00           O  
HETATM   36  H   UNL     1       1.733   0.817   1.931  1.00  0.00           H  
HETATM   37  H   UNL     1       3.349   1.431   1.508  1.00  0.00           H  
HETATM   38  H   UNL     1       2.413   2.211   2.805  1.00  0.00           H  
HETATM   39  H   UNL     1       0.250   3.413   2.198  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.176   3.625   0.483  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.292   2.017   1.237  1.00  0.00           H  
HETATM   42  H   UNL     1       3.544   3.762   0.498  1.00  0.00           H  
HETATM   43  H   UNL     1       2.064   4.644   0.052  1.00  0.00           H  
HETATM   44  H   UNL     1       2.490   4.433   1.767  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.978   1.192  -0.512  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.853   0.929  -0.401  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.374  -1.652   1.463  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.777  -1.851   1.918  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.975   1.615  -0.825  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.128   1.524  -1.292  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.679  -4.307   0.195  1.00  0.00           H  
HETATM   52  H   UNL     1       1.728  -2.962  -0.343  1.00  0.00           H  
HETATM   53  H   UNL     1       3.632  -2.469   0.328  1.00  0.00           H  
HETATM   54  H   UNL     1       3.467  -2.643  -1.436  1.00  0.00           H  
HETATM   55  H   UNL     1       5.844  -2.642  -0.850  1.00  0.00           H  
HETATM   56  H   UNL     1       5.459  -1.139  -1.721  1.00  0.00           H  
HETATM   57  H   UNL     1       8.387   0.582   2.055  1.00  0.00           H  
HETATM   58  H   UNL     1       7.100   1.378  -0.716  1.00  0.00           H  
CONECT    1    7   36   37   38                                       
CONECT    2   27    9   12   12                                       
CONECT    3   25   12    4    4                                       
CONECT    4    3    3   22   13                                       
CONECT    5   13   14   14   21                                       
CONECT    6    7   39   40   41                                       
CONECT    7    8    9    1    6                                       
CONECT    8    7   42   43   44                                       
CONECT    9   10   10    2    7                                       
CONECT    9   11   11                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    2    2    3   45                                       
CONECT   13    4    5   46                                            
CONECT   14    5    5   15   47                                       
CONECT   15   14   16   16   48                                       
CONECT   16   15   15   20   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   49                                       
CONECT   19   20   18   18                                            
CONECT   20   21   21   16   19                                       
CONECT   21    5   20   20   50                                       
CONECT   22   23   23    4                                            
CONECT   23   24   22   22   51                                       
CONECT   24   25   25   23                                            
CONECT   25   26   24   24    3                                       
CONECT   26   27   27   25   52                                       
CONECT   27   28   26   26    2                                       
CONECT   28   29   27                                                 
CONECT   29   30   28   53   54                                       
CONECT   30   31   29   55   56                                       
CONECT   31   32   30                                                 
CONECT   32   34   34   33   35                                       
CONECT   32   31                                                      
CONECT   33   32   57                                                 
CONECT   34   32   32                                                 
CONECT   35   32   58                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   26                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   33                                                      
CONECT   58   35                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
