COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.590   2.054  -2.080  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.615   0.461  -0.257  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.359  -1.003   0.106  1.00  0.00           C  
HETATM    4  C   UNL     1       3.336   1.406  -1.642  1.00  0.00           C  
HETATM    5  C   UNL     1       2.401   1.054  -2.770  1.00  0.00           C  
HETATM    6  C   UNL     1       2.820   3.867  -1.505  1.00  0.00           C  
HETATM    7  C   UNL     1       5.882   0.729   0.941  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.728   0.446   1.722  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.486  -1.023  -1.544  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.161   2.344   2.225  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.989   0.174   1.627  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.292   0.624   3.924  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.666   0.122   1.663  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.691  -0.592   0.797  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.793  -1.574  -0.078  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.161  -2.470  -0.950  1.00  0.00           C  
HETATM   17  C   UNL     1       1.200  -2.562  -0.952  1.00  0.00           C  
HETATM   18  O   UNL     1       4.010  -3.214  -0.668  1.00  0.00           O  
HETATM   19  S   UNL     1       3.727  -1.928  -0.134  1.00  0.00           S  
HETATM   20  O   UNL     1       4.192  -1.495   1.137  1.00  0.00           O  
HETATM   21  N   UNL     1       4.292  -0.830  -1.237  1.00  0.00           N  
HETATM   22  C   UNL     1       4.161   0.550  -0.987  1.00  0.00           C  
HETATM   23  C   UNL     1       4.859   1.283  -0.017  1.00  0.00           C  
HETATM   24  N   UNL     1       4.471   2.531  -0.085  1.00  0.00           N  
HETATM   25  N   UNL     1       3.512   2.640  -1.100  1.00  0.00           N  
HETATM   26  C   UNL     1       1.972  -1.778  -0.100  1.00  0.00           C  
HETATM   27  C   UNL     1       1.388  -0.896   0.762  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.005  -0.777   0.789  1.00  0.00           C  
HETATM   29  N   UNL     1       0.050   0.922   2.527  1.00  0.00           N  
HETATM   30  C   UNL     1       0.434   2.668   0.853  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.128  -1.446  -0.037  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.071  -0.491   0.808  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.874  -1.321  -0.093  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.229   0.695  -1.655  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.797   0.442  -1.860  1.00  0.00           C  
HETATM   36  H   UNL     1      -6.077   2.780  -1.450  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.293   2.200  -3.119  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.668   2.189  -1.988  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.674   0.686  -0.130  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.026   1.105   0.395  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.630  -1.173   1.148  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.958  -1.648  -0.536  1.00  0.00           H  
HETATM   43  H   UNL     1       1.430   0.771  -2.362  1.00  0.00           H  
HETATM   44  H   UNL     1       2.282   1.916  -3.427  1.00  0.00           H  
HETATM   45  H   UNL     1       2.813   0.219  -3.337  1.00  0.00           H  
HETATM   46  H   UNL     1       1.905   3.977  -0.924  1.00  0.00           H  
HETATM   47  H   UNL     1       3.469   4.725  -1.328  1.00  0.00           H  
HETATM   48  H   UNL     1       2.573   3.811  -2.565  1.00  0.00           H  
HETATM   49  H   UNL     1       6.864   0.733   0.467  1.00  0.00           H  
HETATM   50  H   UNL     1       5.909   1.344   1.839  1.00  0.00           H  
HETATM   51  H   UNL     1       5.613  -0.293   1.208  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.750   1.438   1.271  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.748   0.112   1.914  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.177   0.486   2.661  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.421  -1.206  -1.681  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.056  -1.668  -2.213  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.230   2.559   2.218  1.00  0.00           H  
HETATM   58  H   UNL     1       0.327   2.953   2.986  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.359   0.786   4.080  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.045  -0.414   4.146  1.00  0.00           H  
HETATM   61  H   UNL     1       0.275   1.281   4.585  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.748  -3.084  -1.616  1.00  0.00           H  
HETATM   63  H   UNL     1       1.685  -3.253  -1.624  1.00  0.00           H  
HETATM   64  H   UNL     1       4.713  -1.136  -2.056  1.00  0.00           H  
HETATM   65  H   UNL     1       1.998  -0.294   1.420  1.00  0.00           H  
HETATM   66  H   UNL     1       1.502   2.452   0.860  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.055   2.058   0.092  1.00  0.00           H  
HETATM   68  H   UNL     1       0.277   3.723   0.629  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.694  -2.374   0.123  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.217   1.087  -1.200  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.536   0.654  -2.896  1.00  0.00           H  
CONECT    1   34   36   37   38                                       
CONECT    2   34    3   39   40                                       
CONECT    3    2   33   41   42                                       
CONECT    4    5   22   22   25                                       
CONECT    5    4   43   44   45                                       
CONECT    6   25   46   47   48                                       
CONECT    7   23   49   50   51                                       
CONECT    8   32   52   53   54                                       
CONECT    9   35   33   55   56                                       
CONECT   10   30   29   57   58                                       
CONECT   11   13   13   14                                            
CONECT   12   29   59   60   61                                       
CONECT   13   29   11   11   28                                       
CONECT   14   11   32   31   31                                       
CONECT   15   28   31   16   16                                       
CONECT   16   15   15   17   62                                       
CONECT   17   26   26   16   63                                       
CONECT   18   19   19                                                 
CONECT   19   20   20   26   18                                       
CONECT   19   18   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   22   64                                            
CONECT   22   21    4    4   23                                       
CONECT   23   22    7   24   24                                       
CONECT   24   25   23   23                                            
CONECT   25    4    6   24                                            
CONECT   26   27   19   17   17                                       
CONECT   27   28   28   26   65                                       
CONECT   28   13   27   27   15                                       
CONECT   29   10   12   13                                            
CONECT   30   10   66   67   68                                       
CONECT   31   14   14   15                                            
CONECT   32   33   14    8                                            
CONECT   33    9    3   32   69                                       
CONECT   34   35    1    2                                            
CONECT   35   34    9   70   71                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   21                                                      
CONECT   65   27                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
