COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -30.227  -2.784  -7.678  1.00  0.00           C  
HETATM    2  C   UNL     1     -27.086   0.992  -9.088  1.00  0.00           C  
HETATM    3  C   UNL     1     -28.837   1.656  -0.843  1.00  0.00           C  
HETATM    4  C   UNL     1     -27.627  -2.114  -2.911  1.00  0.00           C  
HETATM    5  C   UNL     1     -31.288  -1.729  -7.223  1.00  0.00           C  
HETATM    6  C   UNL     1     -30.461  -3.081  -9.190  1.00  0.00           C  
HETATM    7  C   UNL     1     -22.052  -2.642  -7.482  1.00  0.00           C  
HETATM    8  C   UNL     1     -20.993  -2.083  -6.535  1.00  0.00           C  
HETATM    9  C   UNL     1     -33.741   1.505  -2.838  1.00  0.00           C  
HETATM   10  C   UNL     1     -32.652   2.022  -1.868  1.00  0.00           C  
HETATM   11  C   UNL     1     -27.502  -0.624  -1.014  1.00  0.00           C  
HETATM   12  C   UNL     1     -26.649  -1.827  -3.670  1.00  0.00           C  
HETATM   13  C   UNL     1     -29.364  -0.934  -9.993  1.00  0.00           C  
HETATM   14  C   UNL     1     -28.276  -0.323 -10.919  1.00  0.00           C  
HETATM   15  C   UNL     1     -26.065   0.683  -8.009  1.00  0.00           C  
HETATM   16  C   UNL     1     -26.925  -0.688  -6.138  1.00  0.00           C  
HETATM   17  C   UNL     1     -24.786   0.031  -8.531  1.00  0.00           C  
HETATM   18  C   UNL     1     -28.816  -2.386  -3.884  1.00  0.00           C  
HETATM   19  C   UNL     1     -31.031  -1.289  -5.790  1.00  0.00           C  
HETATM   20  C   UNL     1     -29.284  -2.485 -10.021  1.00  0.00           C  
HETATM   21  C   UNL     1     -27.277   0.520 -10.540  1.00  0.00           C  
HETATM   22  C   UNL     1     -26.246   2.134  -8.480  1.00  0.00           C  
HETATM   23  C   UNL     1     -27.809   0.687  -0.269  1.00  0.00           C  
HETATM   24  C   UNL     1     -27.383  -0.749  -4.665  1.00  0.00           C  
HETATM   25  C   UNL     1     -29.641  -0.620  -5.743  1.00  0.00           C  
HETATM   26  C   UNL     1     -20.587  -3.033  -7.671  1.00  0.00           C  
HETATM   27  C   UNL     1     -32.366  -0.023  -4.155  1.00  0.00           C  
HETATM   28  C   UNL     1     -34.570   2.761  -3.128  1.00  0.00           C  
HETATM   29  C   UNL     1     -34.635   0.395  -2.223  1.00  0.00           C  
HETATM   30  C   UNL     1     -25.868  -1.240   0.720  1.00  0.00           C  
HETATM   31  C   UNL     1     -24.854  -2.272   1.217  1.00  0.00           C  
HETATM   32  C   UNL     1     -24.102  -1.996   2.514  1.00  0.00           C  
HETATM   33  C   UNL     1     -23.089  -4.179   2.280  1.00  0.00           C  
HETATM   34  C   UNL     1     -24.364  -0.708   3.302  1.00  0.00           C  
HETATM   35  C   UNL     1     -25.380   0.317   2.796  1.00  0.00           C  
HETATM   36  C   UNL     1     -26.141   0.031   1.477  1.00  0.00           C  
HETATM   37  C   UNL     1     -23.046  -3.703  -6.956  1.00  0.00           C  
HETATM   38  C   UNL     1     -33.539   3.904  -3.132  1.00  0.00           C  
HETATM   39  C   UNL     1     -32.591   3.548  -1.984  1.00  0.00           C  
HETATM   40  N   UNL     1     -28.613  -1.176  -4.825  1.00  0.00           N  
HETATM   41  N   UNL     1     -26.449   0.607  -6.615  1.00  0.00           N  
HETATM   42  N   UNL     1     -24.097  -0.829  -7.909  1.00  0.00           N  
HETATM   43  N   UNL     1     -32.019  -0.315  -5.485  1.00  0.00           N  
HETATM   44  N   UNL     1     -26.543  -1.575  -0.525  1.00  0.00           N  
HETATM   45  N   UNL     1     -27.121   0.998   0.967  1.00  0.00           N  
HETATM   46  O   UNL     1     -28.171  -0.906  -2.201  1.00  0.00           O  
HETATM   47  O   UNL     1     -29.417   0.319  -6.449  1.00  0.00           O  
HETATM   48  O   UNL     1     -26.966  -1.651  -6.856  1.00  0.00           O  
HETATM   49  O   UNL     1     -21.696  -0.485  -9.126  1.00  0.00           O  
HETATM   50  O   UNL     1     -23.173  -2.239  -9.795  1.00  0.00           O  
HETATM   51  O   UNL     1     -31.979  -0.638  -3.169  1.00  0.00           O  
HETATM   52  O   UNL     1     -33.197   1.038  -4.089  1.00  0.00           O  
HETATM   53  O   UNL     1     -23.176  -2.936   2.971  1.00  0.00           O  
HETATM   54  O   UNL     1     -24.334   0.434  -9.804  1.00  0.00           O  
HETATM   55  S   UNL     1     -22.719  -1.437  -8.656  1.00  0.00           S  
HETATM   56  H   UNL     1     -30.345  -3.708  -7.093  1.00  0.00           H  
HETATM   57  H   UNL     1     -29.214  -2.383  -7.529  1.00  0.00           H  
HETATM   58  H   UNL     1     -28.079   1.022  -8.615  1.00  0.00           H  
HETATM   59  H   UNL     1     -28.923   2.533  -0.184  1.00  0.00           H  
HETATM   60  H   UNL     1     -28.517   1.980  -1.844  1.00  0.00           H  
HETATM   61  H   UNL     1     -29.813   1.155  -0.915  1.00  0.00           H  
HETATM   62  H   UNL     1     -27.476  -2.960  -2.224  1.00  0.00           H  
HETATM   63  H   UNL     1     -31.232  -0.852  -7.885  1.00  0.00           H  
HETATM   64  H   UNL     1     -32.291  -2.175  -7.289  1.00  0.00           H  
HETATM   65  H   UNL     1     -31.407  -2.622  -9.512  1.00  0.00           H  
HETATM   66  H   UNL     1     -30.508  -4.169  -9.348  1.00  0.00           H  
HETATM   67  H   UNL     1     -20.953  -2.425  -5.490  1.00  0.00           H  
HETATM   68  H   UNL     1     -20.719  -1.019  -6.583  1.00  0.00           H  
HETATM   69  H   UNL     1     -32.907   1.737  -0.836  1.00  0.00           H  
HETATM   70  H   UNL     1     -31.677   1.589  -2.138  1.00  0.00           H  
HETATM   71  H   UNL     1     -26.283  -2.708  -4.218  1.00  0.00           H  
HETATM   72  H   UNL     1     -25.818  -1.370  -3.113  1.00  0.00           H  
HETATM   73  H   UNL     1     -29.205  -0.581  -8.964  1.00  0.00           H  
HETATM   74  H   UNL     1     -30.358  -0.615 -10.341  1.00  0.00           H  
HETATM   75  H   UNL     1     -28.316  -0.593 -11.964  1.00  0.00           H  
HETATM   76  H   UNL     1     -29.788  -2.355  -3.371  1.00  0.00           H  
HETATM   77  H   UNL     1     -28.710  -3.345  -4.412  1.00  0.00           H  
HETATM   78  H   UNL     1     -31.067  -2.149  -5.105  1.00  0.00           H  
HETATM   79  H   UNL     1     -29.354  -2.837 -11.061  1.00  0.00           H  
HETATM   80  H   UNL     1     -28.327  -2.811  -9.587  1.00  0.00           H  
HETATM   81  H   UNL     1     -26.587   0.873 -11.292  1.00  0.00           H  
HETATM   82  H   UNL     1     -25.463   2.623  -9.078  1.00  0.00           H  
HETATM   83  H   UNL     1     -26.718   2.875  -7.818  1.00  0.00           H  
HETATM   84  H   UNL     1     -27.319   0.251  -4.211  1.00  0.00           H  
HETATM   85  H   UNL     1     -20.256  -4.057  -7.441  1.00  0.00           H  
HETATM   86  H   UNL     1     -20.022  -2.650  -8.533  1.00  0.00           H  
HETATM   87  H   UNL     1     -35.325   2.920  -2.344  1.00  0.00           H  
HETATM   88  H   UNL     1     -35.068   2.682  -4.106  1.00  0.00           H  
HETATM   89  H   UNL     1     -35.052   0.747  -1.268  1.00  0.00           H  
HETATM   90  H   UNL     1     -35.455   0.159  -2.917  1.00  0.00           H  
HETATM   91  H   UNL     1     -34.031  -0.507  -2.049  1.00  0.00           H  
HETATM   92  H   UNL     1     -24.674  -3.179   0.659  1.00  0.00           H  
HETATM   93  H   UNL     1     -22.322  -4.809   2.753  1.00  0.00           H  
HETATM   94  H   UNL     1     -24.062  -4.691   2.323  1.00  0.00           H  
HETATM   95  H   UNL     1     -22.817  -3.996   1.230  1.00  0.00           H  
HETATM   96  H   UNL     1     -23.827  -0.523   4.221  1.00  0.00           H  
HETATM   97  H   UNL     1     -25.564   1.226   3.349  1.00  0.00           H  
HETATM   98  H   UNL     1     -22.529  -4.375  -6.255  1.00  0.00           H  
HETATM   99  H   UNL     1     -23.877  -3.202  -6.438  1.00  0.00           H  
HETATM  100  H   UNL     1     -23.440  -4.287  -7.801  1.00  0.00           H  
HETATM  101  H   UNL     1     -32.998   3.940  -4.089  1.00  0.00           H  
HETATM  102  H   UNL     1     -34.028   4.873  -2.950  1.00  0.00           H  
HETATM  103  H   UNL     1     -31.567   3.876  -2.214  1.00  0.00           H  
HETATM  104  H   UNL     1     -32.925   4.019  -1.048  1.00  0.00           H  
HETATM  105  H   UNL     1     -26.391   1.401  -6.010  1.00  0.00           H  
HETATM  106  H   UNL     1     -24.365  -1.139  -6.997  1.00  0.00           H  
HETATM  107  H   UNL     1     -32.476   0.171  -6.230  1.00  0.00           H  
CONECT    1    6    5   56   57                                       
CONECT    2   21   22   15   58                                       
CONECT    3   23   59   60   61                                       
CONECT    4   18   12   46   62                                       
CONECT    5    1   19   63   64                                       
CONECT    6   20    1   65   66                                       
CONECT    7   55   26   37    8                                       
CONECT    8   26    7   67   68                                       
CONECT    9   52   28   29   10                                       
CONECT   10    9   39   69   70                                       
CONECT   11   46   44   44   23                                       
CONECT   12   24    4   71   72                                       
CONECT   13   14   20   73   74                                       
CONECT   14   21   21   13   75                                       
CONECT   15    2   17   22   41                                       
CONECT   16   48   48   41   24                                       
CONECT   17   54   54   15   42                                       
CONECT   18   40    4   76   77                                       
CONECT   19    5   25   43   78                                       
CONECT   20   13    6   79   80                                       
CONECT   21   14   14    2   81                                       
CONECT   22    2   15   82   83                                       
CONECT   23   11    3   45   45                                       
CONECT   24   16   40   12   84                                       
CONECT   25   47   47   19   40                                       
CONECT   26    7    8   85   86                                       
CONECT   27   43   52   51   51                                       
CONECT   28   38    9   87   88                                       
CONECT   29    9   89   90   91                                       
CONECT   30   44   31   31   36                                       
CONECT   31   30   30   32   92                                       
CONECT   32   31   53   34   34                                       
CONECT   33   53   93   94   95                                       
CONECT   34   32   32   35   96                                       
CONECT   35   36   36   34   97                                       
CONECT   36   30   45   35   35                                       
CONECT   37    7   98   99  100                                       
CONECT   38   28   39  101  102                                       
CONECT   39   38   10  103  104                                       
CONECT   40   25   24   18                                            
CONECT   41   15   16  105                                            
CONECT   42   55   17  106                                            
CONECT   43   19   27  107                                            
CONECT   44   11   11   30                                            
CONECT   45   23   23   36                                            
CONECT   46    4   11                                                 
CONECT   47   25   25                                                 
CONECT   48   16   16                                                 
CONECT   49   55   55                                                 
CONECT   50   55   55                                                 
CONECT   51   27   27                                                 
CONECT   52   27    9                                                 
CONECT   53   33   32                                                 
CONECT   54   17   17                                                 
CONECT   55   50   50   49   49                                       
CONECT   55   42    7                                                 
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69   10                                                      
CONECT   70   10                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   24                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   31                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   39                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
