COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.966   3.502   1.490  1.00  0.00           O  
HETATM    2  C   UNL     1       5.131   4.181   1.447  1.00  0.00           C  
HETATM    3  C   UNL     1       6.033   3.392   0.836  1.00  0.00           C  
HETATM    4  N   UNL     1       5.421   2.243   0.510  1.00  0.00           N  
HETATM    5  C   UNL     1       4.168   2.307   0.906  1.00  0.00           C  
HETATM    6  C   UNL     1       3.159   1.252   0.738  1.00  0.00           C  
HETATM    7  C   UNL     1       3.379   0.067   0.153  1.00  0.00           C  
HETATM    8  C   UNL     1       4.719  -0.330  -0.414  1.00  0.00           C  
HETATM    9  S   UNL     1       1.495   1.359   1.282  1.00  0.00           S  
HETATM   10  C   UNL     1       1.135  -0.205   0.695  1.00  0.00           C  
HETATM   11  C   UNL     1       2.257  -0.774   0.112  1.00  0.00           C  
HETATM   12  C   UNL     1       2.122  -2.136  -0.447  1.00  0.00           C  
HETATM   13  O   UNL     1       3.075  -2.687  -0.967  1.00  0.00           O  
HETATM   14  N   UNL     1       0.932  -2.758  -0.370  1.00  0.00           N  
HETATM   15  C   UNL     1       0.786  -4.108  -0.920  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.248  -4.090  -2.048  1.00  0.00           C  
HETATM   17  C   UNL     1       2.132  -4.583  -1.470  1.00  0.00           C  
HETATM   18  C   UNL     1       0.328  -5.046   0.167  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.444  -5.945  -0.094  1.00  0.00           O  
HETATM   20  N   UNL     1       0.776  -4.887   1.428  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.125  -2.159   0.203  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.184  -2.754   0.252  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.047  -0.927   0.727  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.235  -0.333   1.345  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.028   0.438   0.288  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.210   1.472  -0.261  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.515   1.796  -1.619  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.247   2.282  -2.328  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.600   2.700  -3.758  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.604   3.716  -3.721  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.829   3.304  -3.112  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.566   2.910  -1.656  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.251   1.048   0.924  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.216   2.354   1.374  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.337   2.915   1.958  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.495   2.171   2.092  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.535   0.865   1.643  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.413   0.302   1.052  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.450  -0.983   0.609  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.676  -1.695   0.786  1.00  0.00           C  
HETATM   41  H   UNL     1       5.307   5.175   1.832  1.00  0.00           H  
HETATM   42  H   UNL     1       7.066   3.640   0.642  1.00  0.00           H  
HETATM   43  H   UNL     1       5.307  -0.824   0.359  1.00  0.00           H  
HETATM   44  H   UNL     1       4.572  -1.012  -1.251  1.00  0.00           H  
HETATM   45  H   UNL     1       5.245   0.560  -0.758  1.00  0.00           H  
HETATM   46  H   UNL     1       0.083  -3.412  -2.834  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.357  -5.095  -2.457  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.208  -3.752  -1.656  1.00  0.00           H  
HETATM   49  H   UNL     1       2.869  -4.595  -0.667  1.00  0.00           H  
HETATM   50  H   UNL     1       2.023  -5.587  -1.879  1.00  0.00           H  
HETATM   51  H   UNL     1       2.463  -3.904  -2.256  1.00  0.00           H  
HETATM   52  H   UNL     1       1.335  -4.126   1.651  1.00  0.00           H  
HETATM   53  H   UNL     1       0.539  -5.532   2.112  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.860  -1.123   1.764  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.930   0.348   2.139  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.334  -0.244  -0.506  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.901   0.912  -2.127  1.00  0.00           H  
HETATM   58  H   UNL     1       0.167   3.134  -1.790  1.00  0.00           H  
HETATM   59  H   UNL     1       0.486   1.476  -2.355  1.00  0.00           H  
HETATM   60  H   UNL     1       0.291   3.087  -4.253  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.975   1.837  -4.307  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.544   4.126  -3.142  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.234   2.449  -3.653  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.491   2.553  -1.203  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.199   3.775  -1.105  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.313   2.936   1.271  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.308   3.935   2.310  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.369   2.612   2.548  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.439   0.285   1.748  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.918  -1.744   1.847  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.475  -1.179   0.254  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.569  -2.705   0.391  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3   41                                       
CONECT    3    2    2    4   42                                       
CONECT    4    3    5    5                                            
CONECT    5    1    4    4    6                                       
CONECT    6    5    9    7    7                                       
CONECT    7    6    6   11    8                                       
CONECT    8    7   43   44   45                                       
CONECT    9    6   10                                                 
CONECT   10    9   23   11   11                                       
CONECT   11   10   10    7   12                                       
CONECT   12   11   14   13   13                                       
CONECT   13   12   12                                                 
CONECT   14   21   12   15                                            
CONECT   15   14   16   17   18                                       
CONECT   16   15   46   47   48                                       
CONECT   17   15   49   50   51                                       
CONECT   18   15   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   52   53                                            
CONECT   21   23   22   22   14                                       
CONECT   22   21   21                                                 
CONECT   23   24   10   21                                            
CONECT   24   25   23   54   55                                       
CONECT   25   33   24   26   56                                       
CONECT   26   25   27                                                 
CONECT   27   26   32   28   57                                       
CONECT   28   27   29   58   59                                       
CONECT   29   28   30   60   61                                       
CONECT   30   31   29                                                 
CONECT   31   32   30   62   63                                       
CONECT   32   27   31   64   65                                       
CONECT   33   34   34   38   25                                       
CONECT   34   35   33   33   66                                       
CONECT   35   36   36   34   67                                       
CONECT   36   35   35   37   68                                       
CONECT   37   36   38   38   69                                       
CONECT   38   37   37   33   39                                       
CONECT   39   38   40                                                 
CONECT   40   39   70   71   72                                       
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   40                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
