COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -1.562  -4.842   0.855  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.085  -4.806  -0.492  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.159  -4.247  -1.390  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.008  -4.255  -2.593  1.00  0.00           O  
HETATM    5  N   UNL     1      -3.287  -3.739  -0.855  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.374  -3.290  -1.729  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.529  -2.761  -0.876  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.647  -2.299  -1.775  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.531  -2.385  -2.979  1.00  0.00           O  
HETATM   10  N   UNL     1      -7.775  -1.791  -1.240  1.00  0.00           N  
HETATM   11  C   UNL     1      -8.862  -1.342  -2.114  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.016  -0.813  -1.261  1.00  0.00           C  
HETATM   13  S   UNL     1     -11.359  -0.259  -2.341  1.00  0.00           S  
HETATM   14  C   UNL     1     -12.487   0.268  -1.166  1.00  0.00           C  
HETATM   15  O   UNL     1     -12.217   0.185   0.014  1.00  0.00           O  
HETATM   16  C   UNL     1     -13.815   0.835  -1.597  1.00  0.00           C  
HETATM   17  C   UNL     1     -14.616   1.221  -0.380  1.00  0.00           C  
HETATM   18  O   UNL     1     -14.155   1.052   0.724  1.00  0.00           O  
HETATM   19  C   UNL     1     -15.991   1.816  -0.540  1.00  0.00           C  
HETATM   20  C   UNL     1     -16.581   2.115   0.840  1.00  0.00           C  
HETATM   21  C   UNL     1     -17.977   2.719   0.677  1.00  0.00           C  
HETATM   22  C   UNL     1     -18.567   3.018   2.057  1.00  0.00           C  
HETATM   23  C   UNL     1     -19.963   3.622   1.894  1.00  0.00           C  
HETATM   24  C   UNL     1     -20.554   3.921   3.274  1.00  0.00           C  
HETATM   25  C   UNL     1     -21.950   4.525   3.111  1.00  0.00           C  
HETATM   26  C   UNL     1       0.158  -3.917  -0.569  1.00  0.00           C  
HETATM   27  C   UNL     1       0.758  -4.000  -1.974  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.231  -2.468  -0.266  1.00  0.00           C  
HETATM   29  C   UNL     1       1.190  -4.393   0.455  1.00  0.00           C  
HETATM   30  O   UNL     1       2.351  -3.562   0.383  1.00  0.00           O  
HETATM   31  P   UNL     1       3.641  -3.776   1.322  1.00  0.00           P  
HETATM   32  O   UNL     1       3.225  -3.764   2.742  1.00  0.00           O  
HETATM   33  O   UNL     1       4.328  -5.190   0.975  1.00  0.00           O  
HETATM   34  O   UNL     1       4.696  -2.588   1.062  1.00  0.00           O  
HETATM   35  P   UNL     1       5.991  -2.050   1.852  1.00  0.00           P  
HETATM   36  O   UNL     1       5.522  -1.225   3.153  1.00  0.00           O  
HETATM   37  O   UNL     1       6.826  -3.197   2.271  1.00  0.00           O  
HETATM   38  O   UNL     1       6.847  -1.087   0.887  1.00  0.00           O  
HETATM   39  C   UNL     1       8.110  -0.533   1.261  1.00  0.00           C  
HETATM   40  C   UNL     1       8.648   0.331   0.118  1.00  0.00           C  
HETATM   41  O   UNL     1       7.805   1.481  -0.064  1.00  0.00           O  
HETATM   42  C   UNL     1       8.661   2.570  -0.471  1.00  0.00           C  
HETATM   43  N   UNL     1       8.021   3.859  -0.195  1.00  0.00           N  
HETATM   44  C   UNL     1       7.049   4.095   0.731  1.00  0.00           C  
HETATM   45  N   UNL     1       6.710   5.352   0.709  1.00  0.00           N  
HETATM   46  C   UNL     1       7.441   6.000  -0.230  1.00  0.00           C  
HETATM   47  C   UNL     1       8.295   5.051  -0.817  1.00  0.00           C  
HETATM   48  N   UNL     1       9.131   5.439  -1.775  1.00  0.00           N  
HETATM   49  C   UNL     1       9.162   6.695  -2.170  1.00  0.00           C  
HETATM   50  N   UNL     1       8.382   7.622  -1.646  1.00  0.00           N  
HETATM   51  C   UNL     1       7.508   7.326  -0.689  1.00  0.00           C  
HETATM   52  N   UNL     1       6.695   8.305  -0.145  1.00  0.00           N  
HETATM   53  C   UNL     1       9.923   2.387   0.410  1.00  0.00           C  
HETATM   54  O   UNL     1      11.068   2.976  -0.210  1.00  0.00           O  
HETATM   55  C   UNL     1      10.057   0.846   0.468  1.00  0.00           C  
HETATM   56  O   UNL     1      11.010   0.390  -0.494  1.00  0.00           O  
HETATM   57  P   UNL     1      12.276  -0.526  -0.108  1.00  0.00           P  
HETATM   58  O   UNL     1      13.201  -0.738  -1.409  1.00  0.00           O  
HETATM   59  O   UNL     1      13.063   0.141   0.953  1.00  0.00           O  
HETATM   60  O   UNL     1      11.762  -1.956   0.424  1.00  0.00           O  
HETATM   61  H   UNL     1      -1.808  -3.977   1.209  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.830  -5.815  -0.815  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.379  -3.670   0.108  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.011  -2.496  -2.382  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.723  -4.127  -2.334  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.891  -3.555  -0.223  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.180  -1.924  -0.271  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.867  -1.722  -0.277  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.499  -0.549  -2.767  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.211  -2.179  -2.719  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.379  -1.607  -0.608  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.667   0.024  -0.656  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.650   1.716  -2.217  1.00  0.00           H  
HETATM   74  H   UNL     1     -14.362   0.086  -2.169  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.922   2.741  -1.113  1.00  0.00           H  
HETATM   76  H   UNL     1     -16.634   1.110  -1.065  1.00  0.00           H  
HETATM   77  H   UNL     1     -16.650   1.190   1.413  1.00  0.00           H  
HETATM   78  H   UNL     1     -15.938   2.821   1.365  1.00  0.00           H  
HETATM   79  H   UNL     1     -17.908   3.644   0.104  1.00  0.00           H  
HETATM   80  H   UNL     1     -18.620   2.013   0.152  1.00  0.00           H  
HETATM   81  H   UNL     1     -18.636   2.093   2.630  1.00  0.00           H  
HETATM   82  H   UNL     1     -17.925   3.724   2.582  1.00  0.00           H  
HETATM   83  H   UNL     1     -19.895   4.547   1.321  1.00  0.00           H  
HETATM   84  H   UNL     1     -20.607   2.916   1.369  1.00  0.00           H  
HETATM   85  H   UNL     1     -20.623   2.997   3.847  1.00  0.00           H  
HETATM   86  H   UNL     1     -19.911   4.627   3.799  1.00  0.00           H  
HETATM   87  H   UNL     1     -21.881   5.450   2.538  1.00  0.00           H  
HETATM   88  H   UNL     1     -22.593   3.819   2.586  1.00  0.00           H  
HETATM   89  H   UNL     1     -22.371   4.738   4.094  1.00  0.00           H  
HETATM   90  H   UNL     1       0.052  -3.589  -2.696  1.00  0.00           H  
HETATM   91  H   UNL     1       1.685  -3.428  -2.007  1.00  0.00           H  
HETATM   92  H   UNL     1       0.964  -5.042  -2.220  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.659  -2.409   0.735  1.00  0.00           H  
HETATM   94  H   UNL     1       0.654  -1.835  -0.321  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.967  -2.129  -0.995  1.00  0.00           H  
HETATM   96  H   UNL     1       0.762  -4.333   1.456  1.00  0.00           H  
HETATM   97  H   UNL     1       1.467  -5.424   0.239  1.00  0.00           H  
HETATM   98  H   UNL     1       4.626  -5.269   0.059  1.00  0.00           H  
HETATM   99  H   UNL     1       4.969  -0.457   2.953  1.00  0.00           H  
HETATM  100  H   UNL     1       7.987   0.082   2.153  1.00  0.00           H  
HETATM  101  H   UNL     1       8.814  -1.339   1.470  1.00  0.00           H  
HETATM  102  H   UNL     1       8.682  -0.253  -0.802  1.00  0.00           H  
HETATM  103  H   UNL     1      10.342   0.525   1.470  1.00  0.00           H  
HETATM  104  H   UNL     1       8.913   2.486  -1.528  1.00  0.00           H  
HETATM  105  H   UNL     1       9.765   2.802   1.406  1.00  0.00           H  
HETATM  106  H   UNL     1       6.623   3.350   1.386  1.00  0.00           H  
HETATM  107  H   UNL     1       9.853   6.977  -2.950  1.00  0.00           H  
HETATM  108  H   UNL     1       6.070   8.079   0.562  1.00  0.00           H  
HETATM  109  H   UNL     1       6.751   9.217  -0.470  1.00  0.00           H  
HETATM  110  H   UNL     1      10.992   3.930  -0.350  1.00  0.00           H  
HETATM  111  H   UNL     1      13.984  -1.283  -1.250  1.00  0.00           H  
HETATM  112  H   UNL     1      11.238  -2.450  -0.221  1.00  0.00           H  
CONECT    1    2   61                                                 
CONECT    2    1    3   26   62                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   63                                            
CONECT    6    5    7   64   65                                       
CONECT    7    6    8   66   67                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   68                                            
CONECT   11   10   12   69   70                                       
CONECT   12   11   13   71   72                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   73   74                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   75   76                                       
CONECT   20   19   21   77   78                                       
CONECT   21   20   22   79   80                                       
CONECT   22   21   23   81   82                                       
CONECT   23   22   24   83   84                                       
CONECT   24   23   25   85   86                                       
CONECT   25   24   87   88   89                                       
CONECT   26    2   27   28   29                                       
CONECT   27   26   90   91   92                                       
CONECT   28   26   93   94   95                                       
CONECT   29   26   30   96   97                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   32   33                                       
CONECT   31   34                                                      
CONECT   32   31   31                                                 
CONECT   33   31   98                                                 
CONECT   34   31   35                                                 
CONECT   35   34   36   37   37                                       
CONECT   35   38                                                      
CONECT   36   35   99                                                 
CONECT   37   35   35                                                 
CONECT   38   35   39                                                 
CONECT   39   38   40  100  101                                       
CONECT   40   39   41   55  102                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   53  104                                       
CONECT   43   42   44   47                                            
CONECT   44   43   45   45  106                                       
CONECT   45   44   44   46                                            
CONECT   46   45   47   51   51                                       
CONECT   47   43   46   48   48                                       
CONECT   48   47   47   49                                            
CONECT   49   48   50   50  107                                       
CONECT   50   49   49   51                                            
CONECT   51   46   46   50   52                                       
CONECT   52   51  108  109                                            
CONECT   53   42   54   55  105                                       
CONECT   54   53  110                                                 
CONECT   55   40   53   56  103                                       
CONECT   56   55   57                                                 
CONECT   57   56   58   59   59                                       
CONECT   57   60                                                      
CONECT   58   57  111                                                 
CONECT   59   57   57                                                 
CONECT   60   57  112                                                 
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   23                                                      
CONECT   85   24                                                      
CONECT   86   24                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   27                                                      
CONECT   91   27                                                      
CONECT   92   27                                                      
CONECT   93   28                                                      
CONECT   94   28                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   29                                                      
CONECT   98   33                                                      
CONECT   99   36                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   55                                                      
CONECT  104   42                                                      
CONECT  105   53                                                      
CONECT  106   44                                                      
CONECT  107   49                                                      
CONECT  108   52                                                      
CONECT  109   52                                                      
CONECT  110   54                                                      
CONECT  111   58                                                      
CONECT  112   60                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
