COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -18.544   3.748   1.597  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.225   1.127   1.087  1.00  0.00           C  
HETATM    3  C   UNL     1     -17.404   3.466   0.971  1.00  0.00           C  
HETATM    4  C   UNL     1     -16.213   4.388   1.173  1.00  0.00           C  
HETATM    5  C   UNL     1     -17.205   2.263   0.103  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.252   2.289   1.181  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.599   1.561   1.127  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.286   1.165  -1.344  1.00  0.00           C  
HETATM    9  C   UNL     1     -16.813   2.780  -1.282  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.336   0.494   0.030  1.00  0.00           C  
HETATM   11  C   UNL     1     -14.487  -0.492   0.079  1.00  0.00           C  
HETATM   12  C   UNL     1     -15.761   0.270  -0.308  1.00  0.00           C  
HETATM   13  S   UNL     1      -8.743  -1.470  -1.720  1.00  0.00           S  
HETATM   14  C   UNL     1      -9.821  -0.936  -0.502  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.960  -1.601  -1.566  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.204  -0.465  -0.873  1.00  0.00           C  
HETATM   17  C   UNL     1     -11.957  -0.047   0.391  1.00  0.00           C  
HETATM   18  O   UNL     1      -9.472  -0.937   0.660  1.00  0.00           O  
HETATM   19  C   UNL     1     -18.423   1.391  -0.086  1.00  0.00           C  
HETATM   20  C   UNL     1     -19.324   1.378   1.149  1.00  0.00           C  
HETATM   21  C   UNL     1     -19.676   2.818   1.475  1.00  0.00           C  
HETATM   22  O   UNL     1     -20.823   3.179   1.631  1.00  0.00           O  
HETATM   23  C   UNL     1     -16.005   1.463   0.611  1.00  0.00           C  
HETATM   24  C   UNL     1     -14.782   2.394   0.666  1.00  0.00           C  
HETATM   25  C   UNL     1     -15.038   3.531   1.655  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.179  -2.406  -1.603  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.305  -1.890  -0.704  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.015  -2.746  -0.781  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.897  -3.224  -1.362  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.854  -3.373  -2.564  1.00  0.00           O  
HETATM   31  H   UNL     1     -18.636   4.646   2.190  1.00  0.00           H  
HETATM   32  H   UNL     1     -10.364   1.436   0.495  1.00  0.00           H  
HETATM   33  H   UNL     1     -10.904   0.829   2.086  1.00  0.00           H  
HETATM   34  H   UNL     1     -15.956   4.871   0.230  1.00  0.00           H  
HETATM   35  H   UNL     1     -16.453   5.143   1.921  1.00  0.00           H  
HETATM   36  H   UNL     1     -12.142   2.826   2.124  1.00  0.00           H  
HETATM   37  H   UNL     1     -12.145   2.967   0.335  1.00  0.00           H  
HETATM   38  H   UNL     1     -13.817   1.093   2.087  1.00  0.00           H  
HETATM   39  H   UNL     1     -12.484   1.903  -1.360  1.00  0.00           H  
HETATM   40  H   UNL     1     -13.101   0.411  -2.110  1.00  0.00           H  
HETATM   41  H   UNL     1     -14.238   1.658  -1.543  1.00  0.00           H  
HETATM   42  H   UNL     1     -15.938   3.425  -1.195  1.00  0.00           H  
HETATM   43  H   UNL     1     -16.579   1.937  -1.932  1.00  0.00           H  
HETATM   44  H   UNL     1     -17.641   3.347  -1.707  1.00  0.00           H  
HETATM   45  H   UNL     1     -14.311  -1.303  -0.627  1.00  0.00           H  
HETATM   46  H   UNL     1     -14.589  -0.894   1.087  1.00  0.00           H  
HETATM   47  H   UNL     1     -15.664   0.625  -1.334  1.00  0.00           H  
HETATM   48  H   UNL     1     -16.613  -0.407  -0.247  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.960  -1.260  -1.834  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.424  -1.899  -2.466  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.036  -2.452  -0.889  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.128   0.386  -1.550  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.049  -0.892   1.073  1.00  0.00           H  
HETATM   54  H   UNL     1     -18.994   1.762  -0.937  1.00  0.00           H  
HETATM   55  H   UNL     1     -18.098   0.372  -0.297  1.00  0.00           H  
HETATM   56  H   UNL     1     -20.233   0.814   0.937  1.00  0.00           H  
HETATM   57  H   UNL     1     -18.795   0.927   1.988  1.00  0.00           H  
HETATM   58  H   UNL     1     -16.213   1.103   1.619  1.00  0.00           H  
HETATM   59  H   UNL     1     -14.577   2.806  -0.322  1.00  0.00           H  
HETATM   60  H   UNL     1     -14.145   4.151   1.732  1.00  0.00           H  
HETATM   61  H   UNL     1     -15.272   3.113   2.635  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.518  -3.294  -2.137  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.904  -1.633  -2.320  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.965  -1.003  -0.170  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.580  -2.663   0.013  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.049  -2.628   0.181  1.00  0.00           H  
HETATM   67  C   UNL     1      -2.699  -3.575  -0.516  1.00  0.00           C  
HETATM   68  C   UNL     1      -1.574  -4.090  -1.414  1.00  0.00           C  
HETATM   69  N   UNL     1      -0.410  -4.431  -0.592  1.00  0.00           N  
HETATM   70  C   UNL     1       0.709  -4.909  -1.173  1.00  0.00           C  
HETATM   71  O   UNL     1       0.784  -4.976  -2.382  1.00  0.00           O  
HETATM   72  C   UNL     1       1.866  -5.360  -0.320  1.00  0.00           C  
HETATM   73  C   UNL     1       3.049  -4.411  -0.522  1.00  0.00           C  
HETATM   74  C   UNL     1       3.558  -4.528  -1.960  1.00  0.00           C  
HETATM   75  C   UNL     1       2.600  -2.973  -0.255  1.00  0.00           C  
HETATM   76  C   UNL     1       4.172  -4.782   0.449  1.00  0.00           C  
HETATM   77  O   UNL     1       1.477  -5.351   1.055  1.00  0.00           O  
HETATM   78  O   UNL     1       5.277  -3.895   0.260  1.00  0.00           O  
HETATM   79  P   UNL     1       6.637  -3.995   1.116  1.00  0.00           P  
HETATM   80  O   UNL     1       6.324  -3.672   2.662  1.00  0.00           O  
HETATM   81  O   UNL     1       7.194  -5.361   1.000  1.00  0.00           O  
HETATM   82  O   UNL     1       7.705  -2.931   0.552  1.00  0.00           O  
HETATM   83  P   UNL     1       9.306  -2.790   0.656  1.00  0.00           P  
HETATM   84  O   UNL     1       9.745  -3.151   2.023  1.00  0.00           O  
HETATM   85  O   UNL     1      10.002  -3.777  -0.409  1.00  0.00           O  
HETATM   86  O   UNL     1       9.733  -1.270   0.339  1.00  0.00           O  
HETATM   87  C   UNL     1      11.077  -0.800   0.452  1.00  0.00           C  
HETATM   88  C   UNL     1      11.132   0.683   0.079  1.00  0.00           C  
HETATM   89  C   UNL     1      12.552   1.232   0.318  1.00  0.00           C  
HETATM   90  C   UNL     1      12.993   1.760  -1.069  1.00  0.00           C  
HETATM   91  C   UNL     1      11.634   1.957  -1.788  1.00  0.00           C  
HETATM   92  O   UNL     1      10.840   0.846  -1.319  1.00  0.00           O  
HETATM   93  O   UNL     1      12.523   2.295   1.272  1.00  0.00           O  
HETATM   94  P   UNL     1      13.328   2.244   2.665  1.00  0.00           P  
HETATM   95  O   UNL     1      12.947   1.024   3.411  1.00  0.00           O  
HETATM   96  O   UNL     1      14.911   2.221   2.371  1.00  0.00           O  
HETATM   97  O   UNL     1      12.965   3.545   3.542  1.00  0.00           O  
HETATM   98  O   UNL     1      13.689   3.001  -0.945  1.00  0.00           O  
HETATM   99  N   UNL     1      11.023   3.230  -1.397  1.00  0.00           N  
HETATM  100  C   UNL     1      10.060   3.404  -0.449  1.00  0.00           C  
HETATM  101  N   UNL     1       9.748   4.664  -0.358  1.00  0.00           N  
HETATM  102  C   UNL     1      10.489   5.377  -1.240  1.00  0.00           C  
HETATM  103  C   UNL     1      11.321   4.466  -1.913  1.00  0.00           C  
HETATM  104  C   UNL     1      10.583   6.737  -1.581  1.00  0.00           C  
HETATM  105  N   UNL     1      11.447   7.095  -2.525  1.00  0.00           N  
HETATM  106  C   UNL     1      12.204   6.201  -3.134  1.00  0.00           C  
HETATM  107  N   UNL     1      12.156   4.918  -2.842  1.00  0.00           N  
HETATM  108  N   UNL     1       9.793   7.681  -0.949  1.00  0.00           N  
HETATM  109  H   UNL     1      -2.360  -2.687   0.018  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.975  -4.347   0.202  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.913  -4.978  -1.949  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.298  -3.318  -2.132  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.444  -4.312   0.370  1.00  0.00           H  
HETATM  114  H   UNL     1       2.158  -6.370  -0.609  1.00  0.00           H  
HETATM  115  H   UNL     1       2.794  -4.163  -2.646  1.00  0.00           H  
HETATM  116  H   UNL     1       4.464  -3.933  -2.074  1.00  0.00           H  
HETATM  117  H   UNL     1       3.778  -5.572  -2.183  1.00  0.00           H  
HETATM  118  H   UNL     1       2.237  -2.889   0.769  1.00  0.00           H  
HETATM  119  H   UNL     1       3.442  -2.296  -0.399  1.00  0.00           H  
HETATM  120  H   UNL     1       1.800  -2.708  -0.947  1.00  0.00           H  
HETATM  121  H   UNL     1       3.810  -4.699   1.473  1.00  0.00           H  
HETATM  122  H   UNL     1       4.492  -5.807   0.259  1.00  0.00           H  
HETATM  123  H   UNL     1       1.204  -4.483   1.381  1.00  0.00           H  
HETATM  124  H   UNL     1       5.955  -2.791   2.813  1.00  0.00           H  
HETATM  125  H   UNL     1       9.759  -3.598  -1.328  1.00  0.00           H  
HETATM  126  H   UNL     1      11.422  -0.929   1.478  1.00  0.00           H  
HETATM  127  H   UNL     1      11.719  -1.368  -0.222  1.00  0.00           H  
HETATM  128  H   UNL     1      10.413   1.242   0.678  1.00  0.00           H  
HETATM  129  H   UNL     1      13.217   0.435   0.652  1.00  0.00           H  
HETATM  130  H   UNL     1      13.605   1.023  -1.589  1.00  0.00           H  
HETATM  131  H   UNL     1      11.761   1.908  -2.870  1.00  0.00           H  
HETATM  132  H   UNL     1      15.232   2.992   1.884  1.00  0.00           H  
HETATM  133  H   UNL     1      13.415   3.580   4.398  1.00  0.00           H  
HETATM  134  H   UNL     1      13.985   3.372  -1.787  1.00  0.00           H  
HETATM  135  H   UNL     1       9.620   2.613   0.141  1.00  0.00           H  
HETATM  136  H   UNL     1      12.894   6.536  -3.895  1.00  0.00           H  
HETATM  137  H   UNL     1       9.165   7.407  -0.262  1.00  0.00           H  
HETATM  138  H   UNL     1       9.867   8.617  -1.193  1.00  0.00           H  
CONECT    1    3    3   21   31                                       
CONECT    2    6   17   32   33                                       
CONECT    3    4    5    1    1                                       
CONECT    4   25    3   34   35                                       
CONECT    5    9    3   23   19                                       
CONECT    6    2    7   36   37                                       
CONECT    7    6   24   10   38                                       
CONECT    8   10   39   40   41                                       
CONECT    9    5   42   43   44                                       
CONECT   10    8    7   17   11                                       
CONECT   11   10   12   45   46                                       
CONECT   12   23   11   47   48                                       
CONECT   13   27   14                                                 
CONECT   14   13   16   18   18                                       
CONECT   15   16   49   50   51                                       
CONECT   16   14   17   15   52                                       
CONECT   17    2   16   10   53                                       
CONECT   18   14   14                                                 
CONECT   19    5   20   54   55                                       
CONECT   20   19   21   56   57                                       
CONECT   21    1   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   24   12    5   58                                       
CONECT   24   25    7   23   59                                       
CONECT   25   24    4   60   61                                       
CONECT   26   27   28   62   63                                       
CONECT   27   13   26   64   65                                       
CONECT   28   29   26   66                                            
CONECT   29   30   30   28   67                                       
CONECT   30   29   29                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29   68  109  110                                       
CONECT   68   67   69  111  112                                       
CONECT   69   68   70  113                                            
CONECT   70   69   71   71   72                                       
CONECT   71   70   70                                                 
CONECT   72   70   73   77  114                                       
CONECT   73   72   74   75   76                                       
CONECT   74   73  115  116  117                                       
CONECT   75   73  118  119  120                                       
CONECT   76   73   78  121  122                                       
CONECT   77   72  123                                                 
CONECT   78   76   79                                                 
CONECT   79   78   80   81   81                                       
CONECT   79   82                                                      
CONECT   80   79  124                                                 
CONECT   81   79   79                                                 
CONECT   82   79   83                                                 
CONECT   83   82   84   84   85                                       
CONECT   83   86                                                      
CONECT   84   83   83                                                 
CONECT   85   83  125                                                 
CONECT   86   83   87                                                 
CONECT   87   86   88  126  127                                       
CONECT   88   87   89   92  128                                       
CONECT   89   88   90   93  129                                       
CONECT   90   89   91   98  130                                       
CONECT   91   90   92   99  131                                       
CONECT   92   91   88                                                 
CONECT   93   89   94                                                 
CONECT   94   93   95   95   96                                       
CONECT   94   97                                                      
CONECT   95   94   94                                                 
CONECT   96   94  132                                                 
CONECT   97   94  133                                                 
CONECT   98   90  134                                                 
CONECT   99   91  100  103                                            
CONECT  100   99  101  101  135                                       
CONECT  101  100  100  102                                            
CONECT  102  101  103  103  104                                       
CONECT  103  102  102   99  107                                       
CONECT  104  102  105  105  108                                       
CONECT  105  104  104  106                                            
CONECT  106  105  107  107  136                                       
CONECT  107  106  106  103                                            
CONECT  108  104  137  138                                            
CONECT  109   67                                                      
CONECT  110   67                                                      
CONECT  111   68                                                      
CONECT  112   68                                                      
CONECT  113   69                                                      
CONECT  114   72                                                      
CONECT  115   74                                                      
CONECT  116   74                                                      
CONECT  117   74                                                      
CONECT  118   75                                                      
CONECT  119   75                                                      
CONECT  120   75                                                      
CONECT  121   76                                                      
CONECT  122   76                                                      
CONECT  123   77                                                      
CONECT  124   80                                                      
CONECT  125   85                                                      
CONECT  126   87                                                      
CONECT  127   87                                                      
CONECT  128   88                                                      
CONECT  129   89                                                      
CONECT  130   90                                                      
CONECT  131   91                                                      
CONECT  132   96                                                      
CONECT  133   97                                                      
CONECT  134   98                                                      
CONECT  135  100                                                      
CONECT  136  106                                                      
CONECT  137  108                                                      
CONECT  138  108                                                      
MASTER        0    0    0    0    0    0    0    0  138    0  138    0
END
