COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.233   0.227   1.682  1.00  0.00           C  
HETATM    2  C   UNL     1       0.864   1.462   2.332  1.00  0.00           C  
HETATM    3  C   UNL     1       2.332   1.503   1.994  1.00  0.00           C  
HETATM    4  C   UNL     1       4.544   0.629   2.268  1.00  0.00           C  
HETATM    5  C   UNL     1       3.199   0.599   2.580  1.00  0.00           C  
HETATM    6  C   UNL     1       6.709   0.263   0.680  1.00  0.00           C  
HETATM    7  C   UNL     1       6.407   0.051  -0.805  1.00  0.00           C  
HETATM    8  C   UNL     1       5.865  -1.363  -1.020  1.00  0.00           C  
HETATM    9  C   UNL     1       4.398  -1.292  -1.361  1.00  0.00           C  
HETATM   10  C   UNL     1       2.084  -1.835  -0.963  1.00  0.00           C  
HETATM   11  C   UNL     1       0.149  -3.029  -2.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.275  -1.451   0.250  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.154  -0.338   0.082  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.323  -0.384   0.963  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.786  -3.233   1.757  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.865  -1.474   3.274  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.132   1.854  -1.588  1.00  0.00           C  
HETATM   18  C   UNL     1       2.809   2.441   1.098  1.00  0.00           C  
HETATM   19  C   UNL     1       4.154   2.476   0.783  1.00  0.00           C  
HETATM   20  C   UNL     1       5.026   1.567   1.366  1.00  0.00           C  
HETATM   21  O   UNL     1       6.348   1.594   1.055  1.00  0.00           O  
HETATM   22  O   UNL     1       4.019  -0.658  -2.323  1.00  0.00           O  
HETATM   23  N   UNL     1       3.504  -1.952  -0.570  1.00  0.00           N  
HETATM   24  C   UNL     1       1.590  -3.177  -1.508  1.00  0.00           C  
HETATM   25  C   UNL     1       2.484  -3.615  -2.670  1.00  0.00           C  
HETATM   26  O   UNL     1       0.855  -2.310   0.995  1.00  0.00           O  
HETATM   27  N   UNL     1       1.019  -0.154   0.506  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.201   0.550   1.256  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.966   0.924   2.404  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.829  -0.683   0.604  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.874  -1.811   1.005  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.170  -1.834   1.818  1.00  0.00           C  
HETATM   33  S   UNL     1      -3.329   0.105  -1.504  1.00  0.00           S  
HETATM   34  O   UNL     1      -2.208  -0.443  -2.184  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.690  -0.146  -1.827  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.878   2.399  -1.790  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.723   3.771  -1.856  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.822   4.598  -1.720  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.076   4.053  -1.519  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.232   2.680  -1.457  1.00  0.00           C  
HETATM   41  H   UNL     1       0.224  -0.596   2.396  1.00  0.00           H  
HETATM   42  H   UNL     1       0.377   2.361   1.954  1.00  0.00           H  
HETATM   43  H   UNL     1       0.741   1.407   3.414  1.00  0.00           H  
HETATM   44  H   UNL     1       5.221  -0.077   2.726  1.00  0.00           H  
HETATM   45  H   UNL     1       2.824  -0.130   3.282  1.00  0.00           H  
HETATM   46  H   UNL     1       7.773   0.110   0.860  1.00  0.00           H  
HETATM   47  H   UNL     1       6.135  -0.450   1.272  1.00  0.00           H  
HETATM   48  H   UNL     1       5.665   0.779  -1.132  1.00  0.00           H  
HETATM   49  H   UNL     1       7.322   0.181  -1.383  1.00  0.00           H  
HETATM   50  H   UNL     1       6.405  -1.839  -1.838  1.00  0.00           H  
HETATM   51  H   UNL     1       5.998  -1.945  -0.108  1.00  0.00           H  
HETATM   52  H   UNL     1       1.979  -1.068  -1.730  1.00  0.00           H  
HETATM   53  H   UNL     1       0.110  -2.279  -2.790  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.202  -3.985  -2.388  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.487  -2.717  -1.171  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.091   0.290   0.584  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.034  -0.077   1.968  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.709  -3.250   2.336  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.003  -3.489   0.720  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.084  -3.958   2.171  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.427  -0.478   3.318  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.789  -1.491   3.853  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.164  -2.199   3.688  1.00  0.00           H  
HETATM   64  H   UNL     1       2.131   3.148   0.644  1.00  0.00           H  
HETATM   65  H   UNL     1       4.527   3.209   0.083  1.00  0.00           H  
HETATM   66  H   UNL     1       3.784  -2.467   0.203  1.00  0.00           H  
HETATM   67  H   UNL     1       1.629  -3.926  -0.717  1.00  0.00           H  
HETATM   68  H   UNL     1       3.487  -3.825  -2.298  1.00  0.00           H  
HETATM   69  H   UNL     1       2.070  -4.514  -3.127  1.00  0.00           H  
HETATM   70  H   UNL     1       2.531  -2.818  -3.412  1.00  0.00           H  
HETATM   71  H   UNL     1       1.356   0.532  -0.091  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.191   1.374   0.542  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.949   0.170   3.009  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.926  -1.476   1.345  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.194  -1.025  -0.213  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.141  -2.470   1.471  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.076  -2.153  -0.010  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.871  -1.110   1.404  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.019   1.753  -1.896  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.743   4.197  -2.013  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.701   5.670  -1.770  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.935   4.699  -1.412  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.212   2.255  -1.300  1.00  0.00           H  
CONECT    1    2   27   28   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    2    5    5   18                                       
CONECT    4    5   20   20   44                                       
CONECT    5    3    3    4   45                                       
CONECT    6    7   21   46   47                                       
CONECT    7    6    8   48   49                                       
CONECT    8    7    9   50   51                                       
CONECT    9    8   22   22   23                                       
CONECT   10   12   23   24   52                                       
CONECT   11   24   53   54   55                                       
CONECT   12   10   26   26   27                                       
CONECT   13   14   30   33                                            
CONECT   14   13   31   56   57                                       
CONECT   15   32   58   59   60                                       
CONECT   16   32   61   62   63                                       
CONECT   17   33   36   36   40                                       
CONECT   18    3   19   19   64                                       
CONECT   19   18   18   20   65                                       
CONECT   20    4    4   19   21                                       
CONECT   21    6   20                                                 
CONECT   22    9    9                                                 
CONECT   23    9   10   66                                            
CONECT   24   10   11   25   67                                       
CONECT   25   24   68   69   70                                       
CONECT   26   12   12                                                 
CONECT   27    1   12   71                                            
CONECT   28    1   29   30   72                                       
CONECT   29   28   73                                                 
CONECT   30   13   28   74   75                                       
CONECT   31   14   32   76   77                                       
CONECT   32   15   16   31   78                                       
CONECT   33   13   17   34   34                                       
CONECT   33   35   35                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   17   17   37   79                                       
CONECT   37   36   38   38   80                                       
CONECT   38   37   37   39   81                                       
CONECT   39   38   40   40   82                                       
CONECT   40   17   39   39   83                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
