COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.163   2.186  -0.220  1.00  0.00           C  
HETATM    2  C   UNL     1       8.472   0.721  -0.537  1.00  0.00           C  
HETATM    3  C   UNL     1       8.754  -0.034   0.764  1.00  0.00           C  
HETATM    4  C   UNL     1       7.272   0.088  -1.244  1.00  0.00           C  
HETATM    5  C   UNL     1       6.936   2.263   0.690  1.00  0.00           C  
HETATM    6  C   UNL     1       7.218   1.508   1.991  1.00  0.00           C  
HETATM    7  C   UNL     1       5.736   1.629  -0.017  1.00  0.00           C  
HETATM    8  C   UNL     1       7.527   0.043   1.674  1.00  0.00           C  
HETATM    9  C   UNL     1       6.045   0.165  -0.334  1.00  0.00           C  
HETATM   10  C   UNL     1       6.327  -0.590   0.967  1.00  0.00           C  
HETATM   11  C   UNL     1       4.863  -0.459  -1.030  1.00  0.00           C  
HETATM   12  N   UNL     1       3.665  -0.505  -0.415  1.00  0.00           N  
HETATM   13  C   UNL     1       2.516  -1.111  -1.092  1.00  0.00           C  
HETATM   14  C   UNL     1       1.289  -1.034  -0.181  1.00  0.00           C  
HETATM   15  C   UNL     1       0.089  -1.667  -0.889  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.139  -1.590   0.022  1.00  0.00           C  
HETATM   17  O   UNL     1       4.990  -0.919  -2.145  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.288  -2.196  -0.655  1.00  0.00           N  
HETATM   19  S   UNL     1      -3.632  -2.620   0.214  1.00  0.00           S  
HETATM   20  O   UNL     1      -4.572  -3.100  -0.738  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.153  -3.349   1.336  1.00  0.00           O  
HETATM   22  N   UNL     1      -6.467   3.182   0.190  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.326  -1.138   0.867  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.378  -0.942   2.213  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.923   0.224   2.747  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.424   1.198   1.938  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.392   1.028   0.545  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.838  -0.156   0.001  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.805  -0.327  -1.394  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.308   0.641  -2.209  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.860   1.806  -1.686  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.912   2.012  -0.324  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.675   4.296  -0.347  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.811   3.301  -0.390  1.00  0.00           C  
HETATM   35  H   UNL     1       9.018   2.637   0.283  1.00  0.00           H  
HETATM   36  H   UNL     1       7.962   2.723  -1.147  1.00  0.00           H  
HETATM   37  H   UNL     1       9.347   0.666  -1.186  1.00  0.00           H  
HETATM   38  H   UNL     1       8.974  -1.077   0.538  1.00  0.00           H  
HETATM   39  H   UNL     1       9.609   0.417   1.268  1.00  0.00           H  
HETATM   40  H   UNL     1       7.492  -0.955  -1.470  1.00  0.00           H  
HETATM   41  H   UNL     1       7.072   0.626  -2.171  1.00  0.00           H  
HETATM   42  H   UNL     1       6.716   3.306   0.916  1.00  0.00           H  
HETATM   43  H   UNL     1       6.343   1.563   2.639  1.00  0.00           H  
HETATM   44  H   UNL     1       8.073   1.959   2.495  1.00  0.00           H  
HETATM   45  H   UNL     1       5.535   2.167  -0.944  1.00  0.00           H  
HETATM   46  H   UNL     1       4.862   1.684   0.631  1.00  0.00           H  
HETATM   47  H   UNL     1       7.727  -0.494   2.601  1.00  0.00           H  
HETATM   48  H   UNL     1       5.452  -0.535   1.615  1.00  0.00           H  
HETATM   49  H   UNL     1       6.547  -1.633   0.741  1.00  0.00           H  
HETATM   50  H   UNL     1       3.564  -0.136   0.477  1.00  0.00           H  
HETATM   51  H   UNL     1       2.736  -2.154  -1.317  1.00  0.00           H  
HETATM   52  H   UNL     1       2.315  -0.573  -2.018  1.00  0.00           H  
HETATM   53  H   UNL     1       1.069   0.010   0.044  1.00  0.00           H  
HETATM   54  H   UNL     1       1.489  -1.571   0.745  1.00  0.00           H  
HETATM   55  H   UNL     1       0.309  -2.710  -1.114  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.112  -1.129  -1.815  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.359  -0.547   0.247  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.938  -2.128   0.948  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.261  -2.349  -1.613  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.987  -1.699   2.876  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.949   0.356   3.819  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.843   2.096   2.366  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.381  -1.225  -1.818  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.278   0.501  -3.280  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.253   2.558  -2.355  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.073   5.239   0.028  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.637   4.189  -0.033  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.727   4.287  -1.436  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.440   2.492  -0.020  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.246   4.259  -0.105  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.745   3.241  -1.477  1.00  0.00           H  
CONECT    1    2    5   35   36                                       
CONECT    2    1    3    4   37                                       
CONECT    3    2    8   38   39                                       
CONECT    4    2    9   40   41                                       
CONECT    5    1    6    7   42                                       
CONECT    6    5    8   43   44                                       
CONECT    7    5    9   45   46                                       
CONECT    8    3    6   10   47                                       
CONECT    9    4    7   10   11                                       
CONECT   10    8    9   48   49                                       
CONECT   11    9   12   17   17                                       
CONECT   12   11   13   50                                            
CONECT   13   12   14   51   52                                       
CONECT   14   13   15   53   54                                       
CONECT   15   14   16   55   56                                       
CONECT   16   15   18   57   58                                       
CONECT   17   11   11                                                 
CONECT   18   16   19   59                                            
CONECT   19   18   20   20   21                                       
CONECT   19   21   23                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   32   33   34                                            
CONECT   23   19   24   24   28                                       
CONECT   24   23   23   25   60                                       
CONECT   25   24   26   26   61                                       
CONECT   26   25   25   27   62                                       
CONECT   27   26   28   28   32                                       
CONECT   28   23   27   27   29                                       
CONECT   29   28   30   30   63                                       
CONECT   30   29   29   31   64                                       
CONECT   31   30   32   32   65                                       
CONECT   32   22   27   31   31                                       
CONECT   33   22   66   67   68                                       
CONECT   34   22   69   70   71                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
