COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.278  -0.188   0.100  1.00  0.00           C  
HETATM    2  S   UNL     1       4.926  -0.662   1.213  1.00  0.00           S  
HETATM    3  C   UNL     1       7.591  -0.144   0.884  1.00  0.00           C  
HETATM    4  C   UNL     1       8.715   0.250  -0.041  1.00  0.00           C  
HETATM    5  O   UNL     1       8.488   0.472  -1.206  1.00  0.00           O  
HETATM    6  C   UNL     1      10.121   0.367   0.489  1.00  0.00           C  
HETATM    7  C   UNL     1      11.061   0.777  -0.646  1.00  0.00           C  
HETATM    8  C   UNL     1      12.488   0.896  -0.108  1.00  0.00           C  
HETATM    9  C   UNL     1      13.429   1.306  -1.243  1.00  0.00           C  
HETATM   10  C   UNL     1      14.856   1.424  -0.706  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.401   2.846   1.330  1.00  0.00           O  
HETATM   12  P   UNL     1      -7.541   2.640   0.410  1.00  0.00           P  
HETATM   13  O   UNL     1      -7.803   3.988  -0.431  1.00  0.00           O  
HETATM   14  O   UNL     1      -7.203   1.434  -0.602  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.821   0.130  -0.158  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.574  -0.769  -1.371  1.00  0.00           C  
HETATM   17  O   UNL     1      -8.858   2.274   1.260  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.855  -0.868  -2.202  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.456  -0.174  -2.228  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.165  -2.165  -0.897  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.258  -2.773  -0.205  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.983  -2.053   0.032  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.126  -2.245   1.221  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.768  -1.741  -0.459  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.599  -1.742   0.423  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.354  -1.356  -0.378  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.151  -1.358   0.530  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.277  -1.640   1.703  1.00  0.00           O  
HETATM   29  N   UNL     1       1.064  -1.045   0.039  1.00  0.00           N  
HETATM   30  C   UNL     1       2.234  -1.047   0.922  1.00  0.00           C  
HETATM   31  C   UNL     1       3.478  -0.660   0.120  1.00  0.00           C  
HETATM   32  H   UNL     1       6.359  -0.919  -0.704  1.00  0.00           H  
HETATM   33  H   UNL     1       6.073   0.796  -0.322  1.00  0.00           H  
HETATM   34  H   UNL     1       7.510   0.587   1.688  1.00  0.00           H  
HETATM   35  H   UNL     1       7.796  -1.127   1.306  1.00  0.00           H  
HETATM   36  H   UNL     1      10.151   1.120   1.276  1.00  0.00           H  
HETATM   37  H   UNL     1      10.437  -0.594   0.894  1.00  0.00           H  
HETATM   38  H   UNL     1      11.031   0.024  -1.433  1.00  0.00           H  
HETATM   39  H   UNL     1      10.744   1.738  -1.051  1.00  0.00           H  
HETATM   40  H   UNL     1      12.519   1.649   0.679  1.00  0.00           H  
HETATM   41  H   UNL     1      12.805  -0.066   0.296  1.00  0.00           H  
HETATM   42  H   UNL     1      13.398   0.552  -2.030  1.00  0.00           H  
HETATM   43  H   UNL     1      13.112   2.267  -1.648  1.00  0.00           H  
HETATM   44  H   UNL     1      14.886   2.178   0.082  1.00  0.00           H  
HETATM   45  H   UNL     1      15.173   0.463  -0.301  1.00  0.00           H  
HETATM   46  H   UNL     1      15.526   1.716  -1.514  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.013   4.758   0.115  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.908   0.201   0.433  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.618  -0.294   0.452  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.646   2.125   0.720  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.176   0.131  -2.496  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.665  -1.466  -3.093  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.638  -1.340  -1.608  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.582   0.015  -1.605  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.192  -0.875  -3.020  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.796   0.762  -2.671  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.895  -2.777  -1.757  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.553  -2.281   0.574  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.667  -1.515  -1.397  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.750  -1.023   1.228  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.464  -2.738   0.846  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.202  -2.075  -1.183  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.489  -0.360  -0.801  1.00  0.00           H  
HETATM   64  H   UNL     1       1.165  -0.819  -0.899  1.00  0.00           H  
HETATM   65  H   UNL     1       2.082  -0.328   1.727  1.00  0.00           H  
HETATM   66  H   UNL     1       2.368  -2.042   1.344  1.00  0.00           H  
HETATM   67  H   UNL     1       3.343   0.336  -0.303  1.00  0.00           H  
HETATM   68  H   UNL     1       3.630  -1.379  -0.685  1.00  0.00           H  
CONECT    1    2    3   32   33                                       
CONECT    2    1   31                                                 
CONECT    3    1    4   34   35                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   36   37                                       
CONECT    7    6    8   38   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9    8   10   42   43                                       
CONECT   10    9   44   45   46                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   13   14                                       
CONECT   12   17                                                      
CONECT   13   12   47                                                 
CONECT   14   12   15                                                 
CONECT   15   14   16   48   49                                       
CONECT   16   15   18   19   20                                       
CONECT   17   12   50                                                 
CONECT   18   16   51   52   53                                       
CONECT   19   16   54   55   56                                       
CONECT   20   16   21   22   57                                       
CONECT   21   20   58                                                 
CONECT   22   20   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   59                                            
CONECT   25   24   26   60   61                                       
CONECT   26   25   27   62   63                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   64                                            
CONECT   30   29   31   65   66                                       
CONECT   31    2   30   67   68                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
