COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.969  -3.063  -0.678  1.00  0.00           N  
HETATM    2  N   UNL     1       2.899  -1.858  -0.459  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.637  -1.919  -0.086  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.048  -3.844  -1.215  1.00  0.00           C  
HETATM    5  C   UNL     1       1.666  -2.424  -0.629  1.00  0.00           C  
HETATM    6  C   UNL     1       2.778  -0.661   0.214  1.00  0.00           C  
HETATM    7  C   UNL     1       3.899   0.232   0.576  1.00  0.00           C  
HETATM    8  C   UNL     1       4.742   2.234   1.587  1.00  0.00           C  
HETATM    9  C   UNL     1       9.897   0.893   0.227  1.00  0.00           C  
HETATM   10  C   UNL     1       9.886   2.218  -1.799  1.00  0.00           C  
HETATM   11  C   UNL     1       1.470  -0.430   0.493  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.548   0.759   1.370  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.352   1.875   1.451  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.508   1.983   0.680  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.023  -0.167  -0.259  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.197   3.579  -0.317  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.925  -0.185  -1.003  1.00  0.00           O  
HETATM   18  S   UNL     1      -7.242   1.038  -1.237  1.00  0.00           S  
HETATM   19  O   UNL     1      -6.715   1.351  -2.519  1.00  0.00           O  
HETATM   20  C   UNL     1      -8.194   2.440  -0.577  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.333   3.220   0.879  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.828   0.961  -0.184  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.882  -0.270   0.509  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.014  -1.499   0.421  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.329  -2.431   1.592  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.802  -2.842   1.535  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.448  -3.679   1.502  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.604  -1.106   0.475  1.00  0.00           N  
HETATM   29  C   UNL     1       0.721  -1.560  -0.043  1.00  0.00           C  
HETATM   30  N   UNL     1       1.233  -3.548  -1.198  1.00  0.00           N  
HETATM   31  C   UNL     1       5.216  -0.094   0.238  1.00  0.00           C  
HETATM   32  C   UNL     1       6.235   0.772   0.597  1.00  0.00           C  
HETATM   33  N   UNL     1       5.972   1.893   1.250  1.00  0.00           N  
HETATM   34  C   UNL     1       3.670   1.432   1.263  1.00  0.00           C  
HETATM   35  O   UNL     1       7.518   0.469   0.276  1.00  0.00           O  
HETATM   36  C   UNL     1       8.525   1.402   0.673  1.00  0.00           C  
HETATM   37  N   UNL     1       9.954   0.861  -1.240  1.00  0.00           N  
HETATM   38  C   UNL     1      11.158   0.160  -1.705  1.00  0.00           C  
HETATM   39  H   UNL     1       3.736  -2.242  -0.767  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.361  -4.764  -1.686  1.00  0.00           H  
HETATM   41  H   UNL     1       4.573   3.159   2.120  1.00  0.00           H  
HETATM   42  H   UNL     1      10.672   1.558   0.607  1.00  0.00           H  
HETATM   43  H   UNL     1      10.056  -0.112   0.619  1.00  0.00           H  
HETATM   44  H   UNL     1      10.726   2.806  -1.430  1.00  0.00           H  
HETATM   45  H   UNL     1       9.930   2.165  -2.887  1.00  0.00           H  
HETATM   46  H   UNL     1       8.951   2.689  -1.496  1.00  0.00           H  
HETATM   47  H   UNL     1       1.063   0.426   1.011  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.655   0.690   1.974  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.082   2.677   2.122  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.291  -0.971  -0.930  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.565   3.718  -1.195  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.742   4.500  -0.111  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.681   2.152   0.354  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.940   2.758  -1.305  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.980   3.072   1.743  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.664   4.055   1.088  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.211  -2.016  -0.519  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.132  -1.914   2.531  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.999  -3.359   0.596  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.026  -3.506   2.370  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.430  -1.953   1.599  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.399  -3.386   1.542  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.672  -4.343   2.336  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.645  -4.196   0.563  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.348  -0.274   0.904  1.00  0.00           H  
HETATM   66  H   UNL     1       5.435  -1.008  -0.295  1.00  0.00           H  
HETATM   67  H   UNL     1       2.667   1.722   1.539  1.00  0.00           H  
HETATM   68  H   UNL     1       8.512   1.510   1.758  1.00  0.00           H  
HETATM   69  H   UNL     1       8.328   2.369   0.209  1.00  0.00           H  
HETATM   70  H   UNL     1      12.044   0.673  -1.332  1.00  0.00           H  
HETATM   71  H   UNL     1      11.148  -0.865  -1.334  1.00  0.00           H  
HETATM   72  H   UNL     1      11.176   0.151  -2.795  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   39                                            
CONECT    3   28    1    1   29                                       
CONECT    4    1   30   30   40                                       
CONECT    5   30    2   29   29                                       
CONECT    6    2    7   11   11                                       
CONECT    7    6   34   34   31                                       
CONECT    8   34   33   33   41                                       
CONECT    9   36   37   42   43                                       
CONECT   10   37   44   45   46                                       
CONECT   11    6    6   29   47                                       
CONECT   12   23   23   13   48                                       
CONECT   13   12   14   14   49                                       
CONECT   14   13   13   22   21                                       
CONECT   15   22   22   23   50                                       
CONECT   16   20   21   51   52                                       
CONECT   17   18   18                                                 
CONECT   18   22   19   19   17                                       
CONECT   18   17   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   16   53   54                                       
CONECT   21   16   14   55   56                                       
CONECT   22   14   15   15   18                                       
CONECT   23   24   12   12   15                                       
CONECT   24   25   28   23   57                                       
CONECT   25   27   26   24   58                                       
CONECT   26   25   59   60   61                                       
CONECT   27   25   62   63   64                                       
CONECT   28   24    3   65                                            
CONECT   29   11    3    5    5                                       
CONECT   30    4    4    5                                            
CONECT   31   32   32    7   66                                       
CONECT   32   33   35   31   31                                       
CONECT   33    8    8   32                                            
CONECT   34    7    7    8   67                                       
CONECT   35   32   36                                                 
CONECT   36   35    9   68   69                                       
CONECT   37    9   38   10                                            
CONECT   38   37   70   71   72                                       
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   31                                                      
CONECT   67   34                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
