COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.505  -4.687  -1.056  1.00  0.00           C  
HETATM    2  C   UNL     1       1.070  -5.997  -0.325  1.00  0.00           C  
HETATM    3  C   UNL     1       1.092  -3.588  -0.055  1.00  0.00           C  
HETATM    4  C   UNL     1       0.504  -4.692  -2.261  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.106  -5.611   0.413  1.00  0.00           O  
HETATM    6  O   UNL     1       0.686  -6.911  -1.361  1.00  0.00           O  
HETATM    7  C   UNL     1       0.093  -4.274   0.893  1.00  0.00           C  
HETATM    8  O   UNL     1       0.454  -2.485  -0.751  1.00  0.00           O  
HETATM    9  C   UNL     1       0.320  -6.198  -2.546  1.00  0.00           C  
HETATM   10  C   UNL     1       0.526  -1.239  -0.246  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.066  -0.215  -0.891  1.00  0.00           N  
HETATM   12  O   UNL     1       1.126  -1.038   0.792  1.00  0.00           O  
HETATM   13  C   UNL     1       0.013   1.141  -0.341  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.622   1.165   1.051  1.00  0.00           C  
HETATM   15  C   UNL     1       1.479   1.566  -0.241  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.095   0.866   0.937  1.00  0.00           C  
HETATM   17  C   UNL     1       2.113   1.543  -1.633  1.00  0.00           C  
HETATM   18  O   UNL     1       1.556   2.889   0.295  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.541  -0.441   1.008  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.998   1.899   0.766  1.00  0.00           C  
HETATM   21  N   UNL     1       3.513   1.966  -1.539  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.890  -0.718   0.903  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.347   1.627   0.656  1.00  0.00           C  
HETATM   24  S   UNL     1       4.712   0.834  -1.392  1.00  0.00           S  
HETATM   25  C   UNL     1       3.851   3.391  -1.575  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.798   0.317   0.727  1.00  0.00           C  
HETATM   27  C   UNL     1       4.959   0.547   0.329  1.00  0.00           C  
HETATM   28  O   UNL     1       4.169  -0.373  -1.911  1.00  0.00           O  
HETATM   29  O   UNL     1       5.899   1.466  -1.853  1.00  0.00           O  
HETATM   30  C   UNL     1       3.577   3.945  -2.974  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.126   0.047   0.624  1.00  0.00           O  
HETATM   32  C   UNL     1       5.880   1.304   1.028  1.00  0.00           C  
HETATM   33  C   UNL     1       4.235  -0.438   0.975  1.00  0.00           C  
HETATM   34  C   UNL     1       3.806   5.458  -2.977  1.00  0.00           C  
HETATM   35  C   UNL     1       4.523   3.284  -3.978  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.790   1.301   0.451  1.00  0.00           C  
HETATM   37  C   UNL     1       6.072   1.084   2.383  1.00  0.00           C  
HETATM   38  C   UNL     1       4.426  -0.666   2.325  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.274   1.071   0.330  1.00  0.00           C  
HETATM   40  C   UNL     1       5.343   0.092   3.034  1.00  0.00           C  
HETATM   41  O   UNL     1       6.900   1.682   3.288  1.00  0.00           O  
HETATM   42  N   UNL     1      -9.102   2.081   0.169  1.00  0.00           N  
HETATM   43  C   UNL     1      -8.790  -0.183   0.390  1.00  0.00           C  
HETATM   44  O   UNL     1       5.714   0.069   4.347  1.00  0.00           O  
HETATM   45  C   UNL     1       6.377   1.325   4.582  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.397   1.895   0.056  1.00  0.00           C  
HETATM   47  S   UNL     1     -10.531   0.169   0.194  1.00  0.00           S  
HETATM   48  C   UNL     1     -11.488   2.917  -0.137  1.00  0.00           C  
HETATM   49  H   UNL     1       2.553  -4.659  -1.354  1.00  0.00           H  
HETATM   50  H   UNL     1       1.854  -6.398   0.318  1.00  0.00           H  
HETATM   51  H   UNL     1       1.961  -3.234   0.500  1.00  0.00           H  
HETATM   52  H   UNL     1       0.937  -4.185  -3.123  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.444  -4.234  -1.977  1.00  0.00           H  
HETATM   54  H   UNL     1       0.499  -4.301   1.904  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.854  -3.734   0.887  1.00  0.00           H  
HETATM   56  H   UNL     1       0.965  -6.498  -3.372  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.721  -6.403  -2.795  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.545  -0.375  -1.719  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.521   1.830  -0.996  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.146   0.413   1.680  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.485   2.150   1.496  1.00  0.00           H  
HETATM   62  H   UNL     1       2.013   0.877   0.414  1.00  0.00           H  
HETATM   63  H   UNL     1       1.572   2.222  -2.291  1.00  0.00           H  
HETATM   64  H   UNL     1       2.066   0.531  -2.037  1.00  0.00           H  
HETATM   65  H   UNL     1       1.072   3.465  -0.312  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.834  -1.246   1.146  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.646   2.919   0.711  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.239  -1.738   0.959  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.052   2.434   0.518  1.00  0.00           H  
HETATM   70  H   UNL     1       4.906   3.520  -1.332  1.00  0.00           H  
HETATM   71  H   UNL     1       3.243   3.927  -0.846  1.00  0.00           H  
HETATM   72  H   UNL     1       2.545   3.733  -3.253  1.00  0.00           H  
HETATM   73  H   UNL     1       6.448   2.069   0.520  1.00  0.00           H  
HETATM   74  H   UNL     1       3.519  -1.029   0.424  1.00  0.00           H  
HETATM   75  H   UNL     1       3.611   5.853  -3.974  1.00  0.00           H  
HETATM   76  H   UNL     1       3.132   5.929  -2.262  1.00  0.00           H  
HETATM   77  H   UNL     1       4.839   5.670  -2.698  1.00  0.00           H  
HETATM   78  H   UNL     1       5.555   3.496  -3.699  1.00  0.00           H  
HETATM   79  H   UNL     1       4.360   2.206  -3.976  1.00  0.00           H  
HETATM   80  H   UNL     1       4.328   3.679  -4.976  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.590   1.939   1.312  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.422   1.785  -0.453  1.00  0.00           H  
HETATM   83  H   UNL     1       3.858  -1.436   2.827  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.289  -1.131   0.521  1.00  0.00           H  
HETATM   85  H   UNL     1       5.666   2.075   4.928  1.00  0.00           H  
HETATM   86  H   UNL     1       7.187   1.202   5.301  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.453   2.413  -0.185  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.484   3.615   0.700  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.315   3.461  -1.065  1.00  0.00           H  
CONECT    1    2    3    4   49                                       
CONECT    2    1    5    6   50                                       
CONECT    3    1    7    8   51                                       
CONECT    4    1    9   52   53                                       
CONECT    5    2    7                                                 
CONECT    6    2    9                                                 
CONECT    7    3    5   54   55                                       
CONECT    8    3   10                                                 
CONECT    9    4    6   56   57                                       
CONECT   10    8   11   12   12                                       
CONECT   11   10   13   58                                            
CONECT   12   10   10                                                 
CONECT   13   11   14   15   59                                       
CONECT   14   13   16   60   61                                       
CONECT   15   13   17   18   62                                       
CONECT   16   14   19   20   20                                       
CONECT   17   15   21   63   64                                       
CONECT   18   15   65                                                 
CONECT   19   16   22   22   66                                       
CONECT   20   16   16   23   67                                       
CONECT   21   17   24   25                                            
CONECT   22   19   19   26   68                                       
CONECT   23   20   26   26   69                                       
CONECT   24   21   27   28   28                                       
CONECT   24   29   29                                                 
CONECT   25   21   30   70   71                                       
CONECT   26   22   23   23   31                                       
CONECT   27   24   32   32   33                                       
CONECT   28   24   24                                                 
CONECT   29   24   24                                                 
CONECT   30   25   34   35   72                                       
CONECT   31   26   36                                                 
CONECT   32   27   27   37   73                                       
CONECT   33   27   38   38   74                                       
CONECT   34   30   75   76   77                                       
CONECT   35   30   78   79   80                                       
CONECT   36   31   39   81   82                                       
CONECT   37   32   40   40   41                                       
CONECT   38   33   33   40   83                                       
CONECT   39   36   42   43   43                                       
CONECT   40   37   37   38   44                                       
CONECT   41   37   45                                                 
CONECT   42   39   46   46                                            
CONECT   43   39   39   47   84                                       
CONECT   44   40   45                                                 
CONECT   45   41   44   85   86                                       
CONECT   46   42   42   47   48                                       
CONECT   47   43   46                                                 
CONECT   48   46   87   88   89                                       
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   38                                                      
CONECT   84   43                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   48                                                      
CONECT   88   48                                                      
CONECT   89   48                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
