COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.651  -0.266   0.556  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.465   0.103   0.031  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.699   2.093   1.296  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.007   2.142   2.089  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.813   1.443   3.436  1.00  0.00           C  
HETATM    6  O   UNL     1       3.221   0.314   0.277  1.00  0.00           O  
HETATM    7  C   UNL     1       6.860  -0.229   1.066  1.00  0.00           C  
HETATM    8  C   UNL     1       8.177  -0.101   0.313  1.00  0.00           C  
HETATM    9  C   UNL     1       8.267   1.270  -0.356  1.00  0.00           C  
HETATM   10  C   UNL     1       7.129   1.378  -1.371  1.00  0.00           C  
HETATM   11  C   UNL     1       5.783   1.272  -0.672  1.00  0.00           C  
HETATM   12  C   UNL     1       7.298   0.320  -2.453  1.00  0.00           C  
HETATM   13  C   UNL     1       7.380  -1.089  -1.885  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.121   2.306  -1.867  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.918   2.193  -0.399  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.047   0.953  -0.095  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.715   1.326  -0.788  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.068   0.086  -1.407  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.667  -0.888  -0.297  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.099  -2.165  -0.919  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.380   0.643   0.927  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.407   3.600   2.324  1.00  0.00           C  
HETATM   23  C   UNL     1       2.050   0.470   0.924  1.00  0.00           C  
HETATM   24  C   UNL     1       4.414   0.192   1.095  1.00  0.00           C  
HETATM   25  C   UNL     1       5.647   0.021   0.183  1.00  0.00           C  
HETATM   26  C   UNL     1       8.349  -1.205  -0.720  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.358   2.774  -1.626  1.00  0.00           N  
HETATM   28  N   UNL     1       0.904   0.590   0.225  1.00  0.00           N  
HETATM   29  O   UNL     1      -4.428   2.627  -2.809  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.076  -2.750  -1.781  1.00  0.00           O  
HETATM   31  O   UNL     1       2.027   0.504   2.138  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.271   0.000  -1.162  1.00  0.00           O  
HETATM   33  H   UNL     1      -2.829  -0.123   1.498  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.803   2.686   0.387  1.00  0.00           H  
HETATM   35  H   UNL     1       0.109   2.500   1.904  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.792   1.636   1.527  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.483   0.417   3.269  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.061   1.976   4.017  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.757   1.437   3.982  1.00  0.00           H  
HETATM   40  H   UNL     1       6.790  -1.236   1.496  1.00  0.00           H  
HETATM   41  H   UNL     1       6.853   0.486   1.898  1.00  0.00           H  
HETATM   42  H   UNL     1       9.001  -0.177   1.041  1.00  0.00           H  
HETATM   43  H   UNL     1       8.165   2.052   0.395  1.00  0.00           H  
HETATM   44  H   UNL     1       9.224   1.369  -0.865  1.00  0.00           H  
HETATM   45  H   UNL     1       7.195   2.371  -1.847  1.00  0.00           H  
HETATM   46  H   UNL     1       5.637   2.156  -0.038  1.00  0.00           H  
HETATM   47  H   UNL     1       4.986   1.277  -1.427  1.00  0.00           H  
HETATM   48  H   UNL     1       6.453   0.380  -3.148  1.00  0.00           H  
HETATM   49  H   UNL     1       8.211   0.533  -3.022  1.00  0.00           H  
HETATM   50  H   UNL     1       6.396  -1.459  -1.616  1.00  0.00           H  
HETATM   51  H   UNL     1       7.743  -1.755  -2.693  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.953   1.896  -0.562  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.907   0.828   0.979  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.478   0.055  -0.537  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.036   1.799  -0.079  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.778  -0.399  -2.076  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.181   0.381  -1.968  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.543  -1.135   0.304  1.00  0.00           H  
HETATM   59  S   UNL     1      -2.670  -3.339   0.395  1.00  0.00           S  
HETATM   60  H   UNL     1      -2.205  -1.922  -1.494  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.324   0.041   1.833  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.546   4.098   1.364  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.339   3.634   2.889  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.623   4.106   2.886  1.00  0.00           H  
HETATM   65  H   UNL     1       4.533   1.090   1.701  1.00  0.00           H  
HETATM   66  H   UNL     1       4.321  -0.677   1.746  1.00  0.00           H  
HETATM   67  H   UNL     1       5.454  -0.848  -0.446  1.00  0.00           H  
HETATM   68  H   UNL     1       9.377  -1.177  -1.104  1.00  0.00           H  
HETATM   69  H   UNL     1       8.210  -2.178  -0.232  1.00  0.00           H  
HETATM   70  H   UNL     1       0.930   0.640  -0.744  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.352  -2.177  -2.509  1.00  0.00           H  
HETATM   72  O   UNL     1      -3.778  -3.543   1.263  1.00  0.00           O  
HETATM   73  O   UNL     1      -1.944  -4.439  -0.136  1.00  0.00           O  
HETATM   74  O   UNL     1      -1.654  -2.598   1.252  1.00  0.00           O  
HETATM   75  H   UNL     1      -6.854   2.909   0.420  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.822   3.411  -2.191  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.328  -3.108   2.006  1.00  0.00           H  
CONECT    1    2   19   33                                            
CONECT    2   32   32   21    1                                       
CONECT    3   21    4   34   35                                       
CONECT    4    3   22    5   36                                       
CONECT    5    4   37   38   39                                       
CONECT    6   24   23                                                 
CONECT    7    8   25   40   41                                       
CONECT    8    9   26    7   42                                       
CONECT    9    8   10   43   44                                       
CONECT   10    9   12   11   45                                       
CONECT   11   10   25   46   47                                       
CONECT   12   10   13   48   49                                       
CONECT   13   26   12   50   51                                       
CONECT   14   27   17   29   29                                       
CONECT   15   16   27   52   75                                       
CONECT   16   15   17   53   54                                       
CONECT   17   16   14   18   55                                       
CONECT   18   17   19   56   57                                       
CONECT   19    1   18   20   58                                       
CONECT   20   19   30   59   60                                       
CONECT   21   28    2    3   61                                       
CONECT   22    4   62   63   64                                       
CONECT   23    6   28   31   31                                       
CONECT   24   25    6   65   66                                       
CONECT   25    7   11   24   67                                       
CONECT   26    8   13   68   69                                       
CONECT   27   15   14   76                                            
CONECT   28   23   21   70                                            
CONECT   29   14   14                                                 
CONECT   30   20   71                                                 
CONECT   31   23   23                                                 
CONECT   32    2    2                                                 
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20   72   72   73                                       
CONECT   59   73   74                                                 
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   59   59                                                 
CONECT   73   59   59                                                 
CONECT   74   59   77                                                 
CONECT   75   15                                                      
CONECT   76   27                                                      
CONECT   77   74                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
