COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.609   0.961  -0.526  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.240   2.830   0.930  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.201   1.465   0.696  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.691   3.691  -0.067  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.098   3.180  -1.288  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.056   1.816  -1.515  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.118   5.862  -0.938  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.559  -0.523  -0.781  1.00  0.00           C  
HETATM    9  C   UNL     1       5.989  -0.943   0.578  1.00  0.00           C  
HETATM   10  C   UNL     1       0.610   2.385   3.105  1.00  0.00           C  
HETATM   11  C   UNL     1       6.565   0.291   0.346  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.532  -2.541  -0.842  1.00  0.00           C  
HETATM   13  N   UNL     1      -7.548  -2.440   0.481  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.489  -2.081   1.181  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.276  -1.789   0.518  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.238  -1.891  -0.896  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.411  -2.286  -1.569  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.126  -1.398   1.217  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.982  -1.121   0.533  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.934  -1.220  -0.862  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.049  -1.607  -1.578  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.748  -0.929  -1.535  1.00  0.00           N  
HETATM   23  C   UNL     1       0.677  -0.855  -1.576  1.00  0.00           C  
HETATM   24  O   UNL     1       0.575  -1.379  -2.665  1.00  0.00           O  
HETATM   25  N   UNL     1       1.896  -0.570  -1.077  1.00  0.00           N  
HETATM   26  O   UNL     1       0.160   3.327   2.131  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.732   5.032   0.159  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.675   7.184  -0.406  1.00  0.00           C  
HETATM   29  C   UNL     1       0.100   6.141  -1.821  1.00  0.00           C  
HETATM   30  C   UNL     1       1.016   3.125   4.381  1.00  0.00           C  
HETATM   31  C   UNL     1       3.098  -0.892  -1.850  1.00  0.00           C  
HETATM   32  C   UNL     1       4.321  -0.475  -1.075  1.00  0.00           C  
HETATM   33  C   UNL     1       4.898   0.760  -1.307  1.00  0.00           C  
HETATM   34  C   UNL     1       6.020   1.143  -0.597  1.00  0.00           C  
HETATM   35  C   UNL     1       4.866  -1.326  -0.133  1.00  0.00           C  
HETATM   36  S   UNL     1       4.131  -2.901   0.162  1.00  0.00           S  
HETATM   37  O   UNL     1       3.937  -3.445  -1.137  1.00  0.00           O  
HETATM   38  O   UNL     1       5.003  -3.525   1.094  1.00  0.00           O  
HETATM   39  C   UNL     1       2.537  -2.518   0.937  1.00  0.00           C  
HETATM   40  C   UNL     1       1.859  -3.817   1.378  1.00  0.00           C  
HETATM   41  C   UNL     1       2.765  -1.622   2.157  1.00  0.00           C  
HETATM   42  N   UNL     1      -6.565  -1.992   2.561  1.00  0.00           N  
HETATM   43  H   UNL     1       0.148   0.795   1.467  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.449   3.846  -2.062  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.374   1.419  -2.468  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.884   5.356  -1.526  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.533  -1.055   0.170  1.00  0.00           H  
HETATM   48  H   UNL     1       6.417  -1.610   1.311  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.193   1.684   3.332  1.00  0.00           H  
HETATM   50  H   UNL     1       1.469   1.839   2.714  1.00  0.00           H  
HETATM   51  H   UNL     1       7.442   0.590   0.902  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.434  -2.839  -1.356  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.423  -2.376  -2.646  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.147  -1.318   2.293  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.099  -0.816   1.076  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.007  -1.681  -2.655  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.710  -0.996  -2.502  1.00  0.00           H  
HETATM   58  H   UNL     1       1.978  -0.150  -0.206  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.969   7.818  -1.242  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.543   6.986   0.223  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.909   7.691   0.182  1.00  0.00           H  
HETATM   62  H   UNL     1       0.866   6.647  -1.233  1.00  0.00           H  
HETATM   63  H   UNL     1       0.497   5.199  -2.200  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.194   6.774  -2.657  1.00  0.00           H  
HETATM   65  H   UNL     1       0.157   3.671   4.773  1.00  0.00           H  
HETATM   66  H   UNL     1       1.360   2.406   5.125  1.00  0.00           H  
HETATM   67  H   UNL     1       1.819   3.826   4.155  1.00  0.00           H  
HETATM   68  H   UNL     1       3.134  -1.966  -2.035  1.00  0.00           H  
HETATM   69  H   UNL     1       3.072  -0.361  -2.802  1.00  0.00           H  
HETATM   70  H   UNL     1       4.472   1.425  -2.044  1.00  0.00           H  
HETATM   71  H   UNL     1       6.471   2.107  -0.778  1.00  0.00           H  
HETATM   72  H   UNL     1       1.899  -2.000   0.221  1.00  0.00           H  
HETATM   73  H   UNL     1       2.497  -4.334   2.094  1.00  0.00           H  
HETATM   74  H   UNL     1       0.901  -3.587   1.844  1.00  0.00           H  
HETATM   75  H   UNL     1       1.697  -4.455   0.509  1.00  0.00           H  
HETATM   76  H   UNL     1       3.247  -0.697   1.843  1.00  0.00           H  
HETATM   77  H   UNL     1       1.807  -1.393   2.623  1.00  0.00           H  
HETATM   78  H   UNL     1       3.402  -2.140   2.873  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.398  -2.193   3.014  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.785  -1.729   3.074  1.00  0.00           H  
CONECT    1    3    8    6    6                                       
CONECT    2   26    3    3    4                                       
CONECT    3    2    2    1   43                                       
CONECT    4    2   27    5    5                                       
CONECT    5    4    4    6   44                                       
CONECT    6    1    1    5   45                                       
CONECT    7   27   28   29   46                                       
CONECT    8   23   22    1   47                                       
CONECT    9   11   11   35   48                                       
CONECT   10   30   26   49   50                                       
CONECT   11    9    9   34   51                                       
CONECT   12   17   17   13   52                                       
CONECT   13   14   14   12                                            
CONECT   14   15   42   13   13                                       
CONECT   15   18   18   16   14                                       
CONECT   16   21   21   15   17                                       
CONECT   17   16   12   12   53                                       
CONECT   18   19   15   15   54                                       
CONECT   19   20   20   18   55                                       
CONECT   20   22   19   19   21                                       
CONECT   21   20   16   16   56                                       
CONECT   22    8   20   57                                            
CONECT   23   24   24   25    8                                       
CONECT   24   23   23                                                 
CONECT   25   31   23   58                                            
CONECT   26   10    2                                                 
CONECT   27    4    7                                                 
CONECT   28    7   59   60   61                                       
CONECT   29    7   62   63   64                                       
CONECT   30   10   65   66   67                                       
CONECT   31   32   25   68   69                                       
CONECT   32   35   35   33   31                                       
CONECT   33   34   34   32   70                                       
CONECT   34   11   33   33   71                                       
CONECT   35    9   36   32   32                                       
CONECT   36   37   37   39   35                                       
CONECT   36   38   38                                                 
CONECT   37   36   36                                                 
CONECT   38   36   36                                                 
CONECT   39   41   36   40   72                                       
CONECT   40   39   73   74   75                                       
CONECT   41   39   76   77   78                                       
CONECT   42   14   79   80                                            
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   25                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
