COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.747  -0.739   2.009  1.00  0.00           C  
HETATM    2  C   UNL     1       8.474   0.664   1.053  1.00  0.00           C  
HETATM    3  C   UNL     1       9.019   1.235  -0.257  1.00  0.00           C  
HETATM    4  C   UNL     1      10.243   2.105   0.037  1.00  0.00           C  
HETATM    5  C   UNL     1      13.317   3.226  -0.386  1.00  0.00           C  
HETATM    6  C   UNL     1       5.697  -2.938   1.405  1.00  0.00           C  
HETATM    7  C   UNL     1       4.565  -3.684   1.114  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.336  -5.281   1.129  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.483  -6.032   0.961  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.563  -5.507   0.280  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.401  -2.615  -0.410  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.025  -2.062   0.941  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.630   0.954  -0.755  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.228   2.162   1.117  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.927  -0.382  -2.542  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.908  -0.200  -1.340  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.230  -1.047  -0.541  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.485  -2.090  -1.099  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.829  -2.601  -2.344  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.095  -3.633  -2.899  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.015  -4.160  -2.220  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.659  -3.650  -0.972  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.499  -4.216  -0.240  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.343  -3.458  -0.072  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.266  -2.062  -0.633  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.262  -3.993   0.613  1.00  0.00           C  
HETATM   27  N   UNL     1       0.899  -3.234   0.790  1.00  0.00           N  
HETATM   28  C   UNL     1       2.104  -3.837   0.798  1.00  0.00           C  
HETATM   29  C   UNL     1       3.323  -3.054   1.107  1.00  0.00           C  
HETATM   30  N   UNL     1       3.221  -1.758   1.377  1.00  0.00           N  
HETATM   31  C   UNL     1       4.278  -1.027   1.656  1.00  0.00           C  
HETATM   32  C   UNL     1       5.545  -1.588   1.680  1.00  0.00           C  
HETATM   33  N   UNL     1       7.299  -0.172   0.771  1.00  0.00           N  
HETATM   34  N   UNL     1      10.765   2.653  -1.218  1.00  0.00           N  
HETATM   35  S   UNL     1      11.841   3.911  -1.187  1.00  0.00           S  
HETATM   36  O   UNL     1      11.224   4.880  -0.351  1.00  0.00           O  
HETATM   37  O   UNL     1      12.100   4.185  -2.557  1.00  0.00           O  
HETATM   38  O   UNL     1       2.191  -5.024   0.551  1.00  0.00           O  
HETATM   39  N   UNL     1      -7.605   1.148   0.558  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.938   3.072   0.349  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.647   4.230   1.003  1.00  0.00           C  
HETATM   42  N   UNL     1      -8.737   5.381   1.080  1.00  0.00           N  
HETATM   43  C   UNL     1      -9.395   6.531   1.713  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.419   7.707   1.775  1.00  0.00           C  
HETATM   45  O   UNL     1      -8.104   8.135   0.448  1.00  0.00           O  
HETATM   46  C   UNL     1      -8.990   2.907  -1.026  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.324   1.829  -1.588  1.00  0.00           C  
HETATM   48  H   UNL     1       6.449   0.068   2.677  1.00  0.00           H  
HETATM   49  H   UNL     1       7.504  -1.354   2.495  1.00  0.00           H  
HETATM   50  H   UNL     1       9.243   0.058   1.533  1.00  0.00           H  
HETATM   51  H   UNL     1       8.188   1.481   1.715  1.00  0.00           H  
HETATM   52  H   UNL     1       9.305   0.418  -0.919  1.00  0.00           H  
HETATM   53  H   UNL     1       8.250   1.840  -0.737  1.00  0.00           H  
HETATM   54  H   UNL     1       9.958   2.923   0.699  1.00  0.00           H  
HETATM   55  H   UNL     1      11.012   1.500   0.517  1.00  0.00           H  
HETATM   56  H   UNL     1      13.691   2.385  -0.970  1.00  0.00           H  
HETATM   57  H   UNL     1      14.087   3.995  -0.322  1.00  0.00           H  
HETATM   58  H   UNL     1      13.061   2.885   0.618  1.00  0.00           H  
HETATM   59  H   UNL     1       6.673  -3.399   1.422  1.00  0.00           H  
HETATM   60  H   UNL     1       4.646  -4.738   0.895  1.00  0.00           H  
HETATM   61  H   UNL     1       0.505  -5.695   1.666  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.536  -7.033   1.364  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.459  -6.097   0.151  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.620  -2.551   1.712  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.967  -2.247   1.127  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.216  -0.989   0.960  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.186   2.288   2.188  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.259  -0.933   0.422  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.673  -2.192  -2.880  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.367  -4.027  -3.867  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.444  -4.966  -2.656  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.536  -1.344   0.142  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.250  -1.863  -0.974  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.956  -1.969  -1.472  1.00  0.00           H  
HETATM   75  H   UNL     1       0.837  -2.273   0.907  1.00  0.00           H  
HETATM   76  H   UNL     1       4.157   0.025   1.869  1.00  0.00           H  
HETATM   77  H   UNL     1       6.597   0.350   0.268  1.00  0.00           H  
HETATM   78  H   UNL     1      10.481   2.279  -2.066  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.524   4.499   0.415  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.957   3.945   2.009  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.384   5.624   0.166  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.271   6.816   1.130  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.704   6.262   2.724  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.876   8.531   2.323  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.506   7.396   2.282  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.489   8.880   0.410  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.536   3.602  -1.646  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.342   1.670  -2.656  1.00  0.00           H  
CONECT    1   32   33   48   49                                       
CONECT    2    3   33   50   51                                       
CONECT    3    4    2   52   53                                       
CONECT    4   34    3   54   55                                       
CONECT    5   35   56   57   58                                       
CONECT    6    7   32   32   59                                       
CONECT    7   29   29    6   60                                       
CONECT    8    9    9   26   61                                       
CONECT    9    8    8   10   62                                       
CONECT   10    9   23   23   63                                       
CONECT   11   22   22   18   12                                       
CONECT   12   11   64   65   66                                       
CONECT   13   16   39   39   47                                       
CONECT   14   39   40   40   67                                       
CONECT   15   16   16                                                 
CONECT   16   15   15   17   13                                       
CONECT   17   18   16   68                                            
CONECT   18   19   19   11   17                                       
CONECT   19   20   18   18   69                                       
CONECT   20   21   21   19   70                                       
CONECT   21   20   20   22   71                                       
CONECT   22   21   23   11   11                                       
CONECT   23   10   10   22   24                                       
CONECT   24   26   26   23   25                                       
CONECT   25   24   72   73   74                                       
CONECT   26    8   27   24   24                                       
CONECT   27   28   26   75                                            
CONECT   28   38   38   27   29                                       
CONECT   29   28    7    7   30                                       
CONECT   30   29   31   31                                            
CONECT   31   30   30   32   76                                       
CONECT   32    6    6   31    1                                       
CONECT   33    2    1   77                                            
CONECT   34    4   35   78                                            
CONECT   35   37   37   34   36                                       
CONECT   35   36    5                                                 
CONECT   36   35   35                                                 
CONECT   37   35   35                                                 
CONECT   38   28   28                                                 
CONECT   39   13   13   14                                            
CONECT   40   14   14   46   41                                       
CONECT   41   42   40   79   80                                       
CONECT   42   43   41   81                                            
CONECT   43   42   44   82   83                                       
CONECT   44   43   45   84   85                                       
CONECT   45   44   86                                                 
CONECT   46   47   47   40   87                                       
CONECT   47   13   46   46   88                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   14                                                      
CONECT   68   17                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   27                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
