COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      21.086  -5.564   1.427  1.00  0.00           C  
HETATM    2  C   UNL     1      19.769  -4.958   1.917  1.00  0.00           C  
HETATM    3  C   UNL     1      19.048  -4.289   0.745  1.00  0.00           C  
HETATM    4  C   UNL     1      17.731  -3.684   1.235  1.00  0.00           C  
HETATM    5  C   UNL     1      17.010  -3.014   0.064  1.00  0.00           C  
HETATM    6  C   UNL     1      15.693  -2.409   0.554  1.00  0.00           C  
HETATM    7  C   UNL     1      14.972  -1.740  -0.618  1.00  0.00           C  
HETATM    8  C   UNL     1      13.655  -1.134  -0.128  1.00  0.00           C  
HETATM    9  C   UNL     1      12.934  -0.465  -1.300  1.00  0.00           C  
HETATM   10  C   UNL     1      11.637   0.131  -0.817  1.00  0.00           C  
HETATM   11  O   UNL     1      11.321   0.031   0.350  1.00  0.00           O  
HETATM   12  S   UNL     1      10.611   0.950  -1.916  1.00  0.00           S  
HETATM   13  C   UNL     1       9.268   1.423  -0.798  1.00  0.00           C  
HETATM   14  C   UNL     1       8.200   2.191  -1.580  1.00  0.00           C  
HETATM   15  N   UNL     1       7.113   2.573  -0.675  1.00  0.00           N  
HETATM   16  C   UNL     1       6.055   3.262  -1.146  1.00  0.00           C  
HETATM   17  O   UNL     1       6.003   3.566  -2.319  1.00  0.00           O  
HETATM   18  C   UNL     1       4.937   3.656  -0.215  1.00  0.00           C  
HETATM   19  C   UNL     1       3.869   4.423  -0.997  1.00  0.00           C  
HETATM   20  N   UNL     1       2.782   4.806  -0.092  1.00  0.00           N  
HETATM   21  C   UNL     1       1.724   5.495  -0.564  1.00  0.00           C  
HETATM   22  O   UNL     1       1.714   5.879  -1.714  1.00  0.00           O  
HETATM   23  C   UNL     1       0.553   5.788   0.339  1.00  0.00           C  
HETATM   24  O   UNL     1       0.906   5.486   1.690  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.642   4.930  -0.081  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.113   5.358  -1.472  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.226   3.458  -0.113  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.781   5.117   0.923  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.898   4.315   0.531  1.00  0.00           O  
HETATM   30  P   UNL     1      -4.276   4.265   1.361  1.00  0.00           P  
HETATM   31  O   UNL     1      -4.983   5.711   1.314  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.993   3.901   2.767  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.256   3.167   0.709  1.00  0.00           O  
HETATM   34  P   UNL     1      -6.596   2.427   1.207  1.00  0.00           P  
HETATM   35  O   UNL     1      -7.858   3.407   1.002  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.466   2.085   2.641  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.817   1.082   0.351  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.864   0.148   0.624  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.786  -1.011  -0.372  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.583  -1.766  -0.150  1.00  0.00           O  
HETATM   41  C   UNL     1      -8.974  -1.968  -0.155  1.00  0.00           C  
HETATM   42  O   UNL     1      -9.769  -2.056  -1.339  1.00  0.00           O  
HETATM   43  P   UNL     1     -11.345  -1.730  -1.364  1.00  0.00           P  
HETATM   44  O   UNL     1     -11.578  -0.373  -0.823  1.00  0.00           O  
HETATM   45  O   UNL     1     -11.885  -1.804  -2.879  1.00  0.00           O  
HETATM   46  O   UNL     1     -12.130  -2.809  -0.462  1.00  0.00           O  
HETATM   47  C   UNL     1      -8.311  -3.332   0.154  1.00  0.00           C  
HETATM   48  O   UNL     1      -9.003  -4.396  -0.501  1.00  0.00           O  
HETATM   49  C   UNL     1      -6.892  -3.146  -0.441  1.00  0.00           C  
HETATM   50  N   UNL     1      -5.935  -4.038   0.217  1.00  0.00           N  
HETATM   51  C   UNL     1      -5.131  -3.723   1.271  1.00  0.00           C  
HETATM   52  N   UNL     1      -4.407  -4.752   1.602  1.00  0.00           N  
HETATM   53  C   UNL     1      -4.699  -5.791   0.783  1.00  0.00           C  
HETATM   54  C   UNL     1      -5.687  -5.347  -0.112  1.00  0.00           C  
HETATM   55  N   UNL     1      -6.155  -6.190  -1.027  1.00  0.00           N  
HETATM   56  C   UNL     1      -5.705  -7.425  -1.095  1.00  0.00           C  
HETATM   57  N   UNL     1      -4.780  -7.888  -0.274  1.00  0.00           N  
HETATM   58  C   UNL     1      -4.247  -7.116   0.668  1.00  0.00           C  
HETATM   59  N   UNL     1      -3.279  -7.611   1.525  1.00  0.00           N  
HETATM   60  H   UNL     1      20.879  -6.306   0.656  1.00  0.00           H  
HETATM   61  H   UNL     1      21.716  -4.776   1.015  1.00  0.00           H  
HETATM   62  H   UNL     1      21.599  -6.040   2.262  1.00  0.00           H  
HETATM   63  H   UNL     1      19.138  -5.746   2.330  1.00  0.00           H  
HETATM   64  H   UNL     1      19.975  -4.216   2.689  1.00  0.00           H  
HETATM   65  H   UNL     1      19.678  -3.502   0.333  1.00  0.00           H  
HETATM   66  H   UNL     1      18.841  -5.031  -0.026  1.00  0.00           H  
HETATM   67  H   UNL     1      17.100  -4.471   1.648  1.00  0.00           H  
HETATM   68  H   UNL     1      17.937  -2.941   2.007  1.00  0.00           H  
HETATM   69  H   UNL     1      17.640  -2.227  -0.349  1.00  0.00           H  
HETATM   70  H   UNL     1      16.804  -3.757  -0.708  1.00  0.00           H  
HETATM   71  H   UNL     1      15.062  -3.196   0.966  1.00  0.00           H  
HETATM   72  H   UNL     1      15.899  -1.667   1.325  1.00  0.00           H  
HETATM   73  H   UNL     1      15.603  -0.952  -1.031  1.00  0.00           H  
HETATM   74  H   UNL     1      14.766  -2.482  -1.390  1.00  0.00           H  
HETATM   75  H   UNL     1      13.025  -1.922   0.285  1.00  0.00           H  
HETATM   76  H   UNL     1      13.861  -0.392   0.643  1.00  0.00           H  
HETATM   77  H   UNL     1      13.565   0.322  -1.713  1.00  0.00           H  
HETATM   78  H   UNL     1      12.728  -1.207  -2.071  1.00  0.00           H  
HETATM   79  H   UNL     1       8.825   0.527  -0.362  1.00  0.00           H  
HETATM   80  H   UNL     1       9.662   2.057  -0.004  1.00  0.00           H  
HETATM   81  H   UNL     1       8.642   3.086  -2.015  1.00  0.00           H  
HETATM   82  H   UNL     1       7.805   1.557  -2.374  1.00  0.00           H  
HETATM   83  H   UNL     1       7.155   2.330   0.263  1.00  0.00           H  
HETATM   84  H   UNL     1       4.495   2.760   0.220  1.00  0.00           H  
HETATM   85  H   UNL     1       5.331   4.290   0.579  1.00  0.00           H  
HETATM   86  H   UNL     1       4.311   5.319  -1.433  1.00  0.00           H  
HETATM   87  H   UNL     1       3.474   3.790  -1.791  1.00  0.00           H  
HETATM   88  H   UNL     1       2.824   4.563   0.846  1.00  0.00           H  
HETATM   89  H   UNL     1       0.289   6.843   0.260  1.00  0.00           H  
HETATM   90  H   UNL     1       1.153   4.562   1.835  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.329   5.152  -2.201  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.011   4.801  -1.739  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.335   6.425  -1.469  1.00  0.00           H  
HETATM   94  H   UNL     1       0.109   3.154   0.878  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.078   2.847  -0.412  1.00  0.00           H  
HETATM   96  H   UNL     1       0.586   3.325  -0.828  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.446   4.812   1.914  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.078   6.165   0.946  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.198   6.015   0.421  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.004   3.673   0.084  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.753  -0.236   1.638  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.828   0.646   0.528  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.799  -0.625  -1.391  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.581  -1.639   0.689  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.830  -1.618  -2.969  1.00  0.00           H  
HETATM  106  H   UNL     1     -12.022  -3.723  -0.759  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.262  -3.506   1.230  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.625  -5.271  -0.338  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.902  -3.321  -1.517  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.100  -2.760   1.760  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.107  -8.084  -1.850  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.905  -7.042   2.215  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.975  -8.528   1.435  1.00  0.00           H  
CONECT    1    2   60   61   62                                       
CONECT    2    1    3   63   64                                       
CONECT    3    2    4   65   66                                       
CONECT    4    3    5   67   68                                       
CONECT    5    4    6   69   70                                       
CONECT    6    5    7   71   72                                       
CONECT    7    8    6   73   74                                       
CONECT    8    9    7   75   76                                       
CONECT    9   10    8   77   78                                       
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   13   10                                                 
CONECT   13   14   12   79   80                                       
CONECT   14   15   13   81   82                                       
CONECT   15   16   14   83                                            
CONECT   16   18   17   17   15                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   84   85                                       
CONECT   19   20   18   86   87                                       
CONECT   20   21   19   88                                            
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   25   21   24   89                                       
CONECT   24   23   90                                                 
CONECT   25   27   28   23   26                                       
CONECT   26   25   91   92   93                                       
CONECT   27   25   94   95   96                                       
CONECT   28   29   25   97   98                                       
CONECT   29   30   28                                                 
CONECT   30   32   32   31   29                                       
CONECT   30   33                                                      
CONECT   31   30   99                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34                                                 
CONECT   34   36   36   37   33                                       
CONECT   34   35                                                      
CONECT   35   34  100                                                 
CONECT   36   34   34                                                 
CONECT   37   38   34                                                 
CONECT   38   39   37  101  102                                       
CONECT   39   41   40   38  103                                       
CONECT   40   49   39                                                 
CONECT   41   42   47   39  104                                       
CONECT   42   43   41                                                 
CONECT   43   44   44   45   46                                       
CONECT   43   42                                                      
CONECT   44   43   43                                                 
CONECT   45   43  105                                                 
CONECT   46   43  106                                                 
CONECT   47   48   41   49  107                                       
CONECT   48   47  108                                                 
CONECT   49   47   50   40  109                                       
CONECT   50   49   54   51                                            
CONECT   51   50   52   52  110                                       
CONECT   52   51   51   53                                            
CONECT   53   54   54   52   58                                       
CONECT   54   55   50   53   53                                       
CONECT   55   56   56   54                                            
CONECT   56   55   55   57  111                                       
CONECT   57   56   58   58                                            
CONECT   58   53   57   57   59                                       
CONECT   59   58  112  113                                            
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    1                                                      
CONECT   63    2                                                      
CONECT   64    2                                                      
CONECT   65    3                                                      
CONECT   66    3                                                      
CONECT   67    4                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    6                                                      
CONECT   73    7                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76    8                                                      
CONECT   77    9                                                      
CONECT   78    9                                                      
CONECT   79   13                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   14                                                      
CONECT   83   15                                                      
CONECT   84   18                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   19                                                      
CONECT   88   20                                                      
CONECT   89   23                                                      
CONECT   90   24                                                      
CONECT   91   26                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   27                                                      
CONECT   96   27                                                      
CONECT   97   28                                                      
CONECT   98   28                                                      
CONECT   99   31                                                      
CONECT  100   35                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   41                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
CONECT  107   47                                                      
CONECT  108   48                                                      
CONECT  109   49                                                      
CONECT  110   51                                                      
CONECT  111   56                                                      
CONECT  112   59                                                      
CONECT  113   59                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
