COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.594   1.011   1.403  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.250   2.118   1.905  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.644   3.136   1.049  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.295   4.224   1.539  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.374   3.042  -0.309  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.713   1.934  -0.805  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.320   0.921   0.051  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.599  -0.285  -0.493  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.091  -0.030  -0.471  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.766   1.066  -1.395  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.364  -1.279  -0.899  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.951  -1.381  -2.034  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.173  -2.282  -0.019  1.00  0.00           N  
HETATM   14  S   UNL     1      -1.374  -3.654  -0.488  1.00  0.00           S  
HETATM   15  O   UNL     1      -1.295  -4.471   0.672  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.959  -4.037  -1.726  1.00  0.00           O  
HETATM   17  O   UNL     1       0.059  -3.258  -0.814  1.00  0.00           O  
HETATM   18  C   UNL     1       0.721  -3.041   0.434  1.00  0.00           C  
HETATM   19  C   UNL     1       2.174  -2.637   0.177  1.00  0.00           C  
HETATM   20  O   UNL     1       2.218  -1.350  -0.461  1.00  0.00           O  
HETATM   21  C   UNL     1       2.929  -2.515   1.515  1.00  0.00           C  
HETATM   22  O   UNL     1       4.029  -3.425   1.561  1.00  0.00           O  
HETATM   23  C   UNL     1       3.435  -1.049   1.529  1.00  0.00           C  
HETATM   24  O   UNL     1       4.767  -0.975   2.043  1.00  0.00           O  
HETATM   25  C   UNL     1       3.402  -0.680   0.024  1.00  0.00           C  
HETATM   26  N   UNL     1       3.282   0.770  -0.152  1.00  0.00           N  
HETATM   27  C   UNL     1       2.121   1.477  -0.257  1.00  0.00           C  
HETATM   28  N   UNL     1       2.383   2.743  -0.404  1.00  0.00           N  
HETATM   29  C   UNL     1       3.725   2.929  -0.402  1.00  0.00           C  
HETATM   30  C   UNL     1       4.318   1.666  -0.234  1.00  0.00           C  
HETATM   31  N   UNL     1       5.643   1.573  -0.205  1.00  0.00           N  
HETATM   32  C   UNL     1       6.394   2.649  -0.320  1.00  0.00           C  
HETATM   33  N   UNL     1       5.883   3.856  -0.474  1.00  0.00           N  
HETATM   34  C   UNL     1       4.568   4.047  -0.520  1.00  0.00           C  
HETATM   35  N   UNL     1       4.042   5.316  -0.681  1.00  0.00           N  
HETATM   36  H   UNL     1      -5.287   0.218   2.069  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.459   2.190   2.962  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.240   4.022   1.508  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.680   3.833  -0.977  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.502   1.860  -1.861  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.922  -0.470  -1.518  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.829  -1.154   0.123  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.783   0.243   0.538  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.067   0.771  -2.311  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.350   1.847  -1.135  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.503  -2.200   0.889  1.00  0.00           H  
HETATM   47  H   UNL     1       0.214  -2.246   0.981  1.00  0.00           H  
HETATM   48  H   UNL     1       0.697  -3.958   1.022  1.00  0.00           H  
HETATM   49  H   UNL     1       2.659  -3.381  -0.455  1.00  0.00           H  
HETATM   50  H   UNL     1       2.252  -2.694   2.352  1.00  0.00           H  
HETATM   51  H   UNL     1       4.495  -3.259   2.392  1.00  0.00           H  
HETATM   52  H   UNL     1       2.763  -0.410   2.102  1.00  0.00           H  
HETATM   53  H   UNL     1       4.719  -1.216   2.978  1.00  0.00           H  
HETATM   54  H   UNL     1       4.290  -1.055  -0.483  1.00  0.00           H  
HETATM   55  H   UNL     1       1.130   1.049  -0.224  1.00  0.00           H  
HETATM   56  H   UNL     1       7.468   2.539  -0.288  1.00  0.00           H  
HETATM   57  H   UNL     1       3.080   5.442  -0.714  1.00  0.00           H  
HETATM   58  H   UNL     1       4.634   6.080  -0.762  1.00  0.00           H  
CONECT    1    2    2    7   36                                       
CONECT    2    1    1    3   37                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   38                                                 
CONECT    5    3    3    6   39                                       
CONECT    6    5    7    7   40                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7    9   41   42                                       
CONECT    9    8   10   11   43                                       
CONECT   10    9   44   45                                            
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   46                                            
CONECT   14   13   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18                                                 
CONECT   18   17   19   47   48                                       
CONECT   19   18   20   21   49                                       
CONECT   20   19   25                                                 
CONECT   21   19   22   23   50                                       
CONECT   22   21   51                                                 
CONECT   23   21   24   25   52                                       
CONECT   24   23   53                                                 
CONECT   25   20   23   26   54                                       
CONECT   26   25   27   30                                            
CONECT   27   26   28   28   55                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   30   34                                       
CONECT   30   26   29   29   31                                       
CONECT   31   30   32   32                                            
CONECT   32   31   31   33   56                                       
CONECT   33   32   34   34                                            
CONECT   34   29   33   33   35                                       
CONECT   35   34   57   58                                            
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   13                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   32                                                      
CONECT   57   35                                                      
CONECT   58   35                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
