COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -18.882   5.103  -1.161  1.00  0.00           C  
HETATM    2  O   UNL     1     -13.809  -4.786  -0.822  1.00  0.00           O  
HETATM    3  C   UNL     1     -20.667   5.846  -0.058  1.00  0.00           C  
HETATM    4  O   UNL     1      -9.735  -0.586  -0.617  1.00  0.00           O  
HETATM    5  C   UNL     1     -18.575   4.551   0.032  1.00  0.00           C  
HETATM    6  C   UNL     1     -17.380   3.732   0.331  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.138  -3.492  -2.152  1.00  0.00           O  
HETATM    8  N   UNL     1     -20.004   5.788  -1.165  1.00  0.00           N  
HETATM    9  C   UNL     1     -18.011   4.953  -2.381  1.00  0.00           C  
HETATM   10  O   UNL     1     -11.907  -0.420   1.110  1.00  0.00           O  
HETATM   11  C   UNL     1     -12.411  -1.400  -0.977  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.617  -2.354  -1.115  1.00  0.00           C  
HETATM   13  C   UNL     1     -13.156  -3.613  -0.334  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.642  -3.643  -0.659  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.980  -1.766  -0.475  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.887  -2.718  -0.065  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.627  -3.172  -0.857  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.318  -2.720  -1.452  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.379  -3.921  -1.588  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.184  -4.543  -2.323  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.901  -3.972  -2.931  1.00  0.00           C  
HETATM   22  C   UNL     1       0.911  -2.470  -2.479  1.00  0.00           C  
HETATM   23  C   UNL     1       1.463  -1.520  -1.415  1.00  0.00           C  
HETATM   24  C   UNL     1       2.366  -1.469   0.805  1.00  0.00           C  
HETATM   25  C   UNL     1       2.727  -2.369   1.988  1.00  0.00           C  
HETATM   26  C   UNL     1       4.204  -4.138   2.650  1.00  0.00           C  
HETATM   27  C   UNL     1       5.337  -5.029   2.136  1.00  0.00           C  
HETATM   28  C   UNL     1       7.636  -4.777   1.370  1.00  0.00           C  
HETATM   29  C   UNL     1       8.819  -3.944   1.071  1.00  0.00           C  
HETATM   30  C   UNL     1       9.987  -4.539   0.585  1.00  0.00           C  
HETATM   31  C   UNL     1      11.088  -3.762   0.305  1.00  0.00           C  
HETATM   32  C   UNL     1      11.039  -2.382   0.507  1.00  0.00           C  
HETATM   33  C   UNL     1      12.226  -1.547   0.206  1.00  0.00           C  
HETATM   34  C   UNL     1      13.389  -2.139  -0.285  1.00  0.00           C  
HETATM   35  C   UNL     1      14.494  -1.363  -0.566  1.00  0.00           C  
HETATM   36  C   UNL     1      14.452   0.010  -0.362  1.00  0.00           C  
HETATM   37  C   UNL     1      15.946   0.680  -2.064  1.00  0.00           C  
HETATM   38  C   UNL     1      17.125   1.612  -2.354  1.00  0.00           C  
HETATM   39  C   UNL     1      19.433   2.076  -1.785  1.00  0.00           C  
HETATM   40  C   UNL     1      17.881   1.365  -0.067  1.00  0.00           C  
HETATM   41  C   UNL     1      16.701   0.434   0.222  1.00  0.00           C  
HETATM   42  C   UNL     1      13.289   0.608   0.130  1.00  0.00           C  
HETATM   43  C   UNL     1      12.076   2.653   0.240  1.00  0.00           C  
HETATM   44  C   UNL     1      12.044   4.123   0.376  1.00  0.00           C  
HETATM   45  C   UNL     1      13.219   4.838   0.606  1.00  0.00           C  
HETATM   46  C   UNL     1      12.065   6.836   0.640  1.00  0.00           C  
HETATM   47  C   UNL     1      10.853   6.194   0.407  1.00  0.00           C  
HETATM   48  C   UNL     1      10.832   4.821   0.272  1.00  0.00           C  
HETATM   49  C   UNL     1       9.539   4.090   0.018  1.00  0.00           C  
HETATM   50  C   UNL     1      12.178  -0.168   0.407  1.00  0.00           C  
HETATM   51  C   UNL     1     -16.116   4.162  -0.074  1.00  0.00           C  
HETATM   52  C   UNL     1       9.873  -1.788   0.992  1.00  0.00           C  
HETATM   53  C   UNL     1       8.769  -2.562   1.267  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.774  -2.738   1.461  1.00  0.00           C  
HETATM   55  C   UNL     1      -8.444  -1.332   1.966  1.00  0.00           C  
HETATM   56  C   UNL     1     -10.102  -3.198   2.065  1.00  0.00           C  
HETATM   57  C   UNL     1      -7.662  -3.703   1.878  1.00  0.00           C  
HETATM   58  C   UNL     1     -16.393   1.769   1.301  1.00  0.00           C  
HETATM   59  C   UNL     1     -17.512   2.528   1.025  1.00  0.00           C  
HETATM   60  C   UNL     1     -15.006   3.394   0.208  1.00  0.00           C  
HETATM   61  C   UNL     1     -15.144   2.198   0.891  1.00  0.00           C  
HETATM   62  C   UNL     1     -13.926   1.364   1.196  1.00  0.00           C  
HETATM   63  C   UNL     1     -12.651  -0.431   0.152  1.00  0.00           C  
HETATM   64  F   UNL     1       9.624   3.399  -1.196  1.00  0.00           F  
HETATM   65  F   UNL     1       9.305   3.182   1.056  1.00  0.00           F  
HETATM   66  F   UNL     1       8.486   5.010  -0.043  1.00  0.00           F  
HETATM   67  N   UNL     1     -13.693   0.422   0.098  1.00  0.00           N  
HETATM   68  N   UNL     1     -11.230  -2.225  -0.685  1.00  0.00           N  
HETATM   69  N   UNL     1      -7.614  -2.279  -0.643  1.00  0.00           N  
HETATM   70  N   UNL     1       6.510  -4.203   1.839  1.00  0.00           N  
HETATM   71  N   UNL     1      15.572   0.793  -0.647  1.00  0.00           N  
HETATM   72  N   UNL     1      18.254   1.253  -1.484  1.00  0.00           N  
HETATM   73  N   UNL     1      13.247   1.993   0.336  1.00  0.00           N  
HETATM   74  N   UNL     1      13.193   6.149   0.728  1.00  0.00           N  
HETATM   75  O   UNL     1      12.092   8.184   0.773  1.00  0.00           O  
HETATM   76  O   UNL     1      -6.793  -4.339  -0.570  1.00  0.00           O  
HETATM   77  O   UNL     1      -0.300  -3.062  -2.007  1.00  0.00           O  
HETATM   78  O   UNL     1       1.835  -2.267  -0.255  1.00  0.00           O  
HETATM   79  O   UNL     1       3.788  -3.250   1.611  1.00  0.00           O  
HETATM   80  O   UNL     1       7.679  -5.979   1.194  1.00  0.00           O  
HETATM   81  O   UNL     1      11.046   2.039   0.040  1.00  0.00           O  
HETATM   82  S   UNL     1     -19.851   4.979   1.169  1.00  0.00           S  
HETATM   83  H   UNL     1     -13.483  -5.609  -0.431  1.00  0.00           H  
HETATM   84  H   UNL     1     -21.600   6.373   0.075  1.00  0.00           H  
HETATM   85  H   UNL     1     -17.337   5.807  -2.454  1.00  0.00           H  
HETATM   86  H   UNL     1     -17.427   4.036  -2.300  1.00  0.00           H  
HETATM   87  H   UNL     1     -18.637   4.908  -3.272  1.00  0.00           H  
HETATM   88  H   UNL     1     -12.262  -0.854  -1.908  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.506  -1.920  -0.658  1.00  0.00           H  
HETATM   90  H   UNL     1     -13.801  -2.593  -2.162  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.323  -3.491   0.737  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.098  -4.182   0.116  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.472  -4.104  -1.633  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.123  -3.720  -0.425  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.497  -2.285  -2.435  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.862  -1.974  -0.801  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.836  -4.667  -2.238  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.201  -4.356  -0.605  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.960  -4.991  -1.355  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.595  -5.302  -2.989  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.207  -4.786  -3.143  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.139  -3.447  -3.855  1.00  0.00           H  
HETATM  103  H   UNL     1       0.711  -1.913  -3.395  1.00  0.00           H  
HETATM  104  H   UNL     1       1.643  -3.252  -2.682  1.00  0.00           H  
HETATM  105  H   UNL     1       2.338  -1.001  -1.809  1.00  0.00           H  
HETATM  106  H   UNL     1       0.698  -0.790  -1.147  1.00  0.00           H  
HETATM  107  H   UNL     1       1.620  -0.739   1.119  1.00  0.00           H  
HETATM  108  H   UNL     1       3.259  -0.950   0.457  1.00  0.00           H  
HETATM  109  H   UNL     1       3.048  -1.753   2.829  1.00  0.00           H  
HETATM  110  H   UNL     1       1.855  -2.955   2.280  1.00  0.00           H  
HETATM  111  H   UNL     1       3.362  -4.760   2.955  1.00  0.00           H  
HETATM  112  H   UNL     1       4.556  -3.559   3.504  1.00  0.00           H  
HETATM  113  H   UNL     1       5.594  -5.765   2.898  1.00  0.00           H  
HETATM  114  H   UNL     1       5.014  -5.541   1.230  1.00  0.00           H  
HETATM  115  H   UNL     1      10.025  -5.607   0.429  1.00  0.00           H  
HETATM  116  H   UNL     1      11.991  -4.221  -0.070  1.00  0.00           H  
HETATM  117  H   UNL     1      13.425  -3.207  -0.444  1.00  0.00           H  
HETATM  118  H   UNL     1      15.394  -1.824  -0.945  1.00  0.00           H  
HETATM  119  H   UNL     1      15.098   0.963  -2.688  1.00  0.00           H  
HETATM  120  H   UNL     1      16.232  -0.348  -2.284  1.00  0.00           H  
HETATM  121  H   UNL     1      17.423   1.508  -3.397  1.00  0.00           H  
HETATM  122  H   UNL     1      16.830   2.643  -2.160  1.00  0.00           H  
HETATM  123  H   UNL     1      19.191   3.128  -1.628  1.00  0.00           H  
HETATM  124  H   UNL     1      20.254   1.790  -1.127  1.00  0.00           H  
HETATM  125  H   UNL     1      19.729   1.923  -2.822  1.00  0.00           H  
HETATM  126  H   UNL     1      17.594   2.394   0.153  1.00  0.00           H  
HETATM  127  H   UNL     1      18.729   1.083   0.557  1.00  0.00           H  
HETATM  128  H   UNL     1      16.996  -0.597   0.028  1.00  0.00           H  
HETATM  129  H   UNL     1      16.404   0.537   1.266  1.00  0.00           H  
HETATM  130  H   UNL     1      14.159   4.312   0.684  1.00  0.00           H  
HETATM  131  H   UNL     1       9.938   6.764   0.333  1.00  0.00           H  
HETATM  132  H   UNL     1      11.276   0.293   0.783  1.00  0.00           H  
HETATM  133  H   UNL     1     -16.008   5.095  -0.608  1.00  0.00           H  
HETATM  134  H   UNL     1       9.836  -0.720   1.148  1.00  0.00           H  
HETATM  135  H   UNL     1       7.867  -2.102   1.642  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.236  -0.644   1.669  1.00  0.00           H  
HETATM  137  H   UNL     1      -8.364  -1.345   3.053  1.00  0.00           H  
HETATM  138  H   UNL     1      -7.498  -1.003   1.536  1.00  0.00           H  
HETATM  139  H   UNL     1     -10.295  -4.230   1.773  1.00  0.00           H  
HETATM  140  H   UNL     1     -10.049  -3.132   3.151  1.00  0.00           H  
HETATM  141  H   UNL     1     -10.907  -2.560   1.700  1.00  0.00           H  
HETATM  142  H   UNL     1      -6.716  -3.375   1.447  1.00  0.00           H  
HETATM  143  H   UNL     1      -7.581  -3.717   2.964  1.00  0.00           H  
HETATM  144  H   UNL     1      -7.897  -4.705   1.518  1.00  0.00           H  
HETATM  145  H   UNL     1     -16.494   0.837   1.838  1.00  0.00           H  
HETATM  146  H   UNL     1     -18.487   2.192   1.345  1.00  0.00           H  
HETATM  147  H   UNL     1     -14.027   3.726  -0.105  1.00  0.00           H  
HETATM  148  H   UNL     1     -13.059   2.014   1.307  1.00  0.00           H  
HETATM  149  H   UNL     1     -14.087   0.811   2.121  1.00  0.00           H  
HETATM  150  H   UNL     1     -14.288   0.413  -0.668  1.00  0.00           H  
HETATM  151  H   UNL     1      -7.482  -1.346  -0.872  1.00  0.00           H  
HETATM  152  H   UNL     1       6.477  -3.244   1.979  1.00  0.00           H  
HETATM  153  H   UNL     1      14.060   2.477   0.549  1.00  0.00           H  
HETATM  154  H   UNL     1      11.976   8.492   1.683  1.00  0.00           H  
CONECT    1    5    5    8    9                                       
CONECT    2   13   83                                                 
CONECT    3   82    8    8   84                                       
CONECT    4   15   15                                                 
CONECT    5    6   82    1    1                                       
CONECT    6   59    5   51   51                                       
CONECT    7   19   20                                                 
CONECT    8    3    3    1                                            
CONECT    9    1   85   86   87                                       
CONECT   10   63   63                                                 
CONECT   11   68   12   63   88                                       
CONECT   12   13   11   89   90                                       
CONECT   13    2   14   12   91                                       
CONECT   14   13   68   92   93                                       
CONECT   15   16   68    4    4                                       
CONECT   16   69   15   54   94                                       
CONECT   17   76   76   18   69                                       
CONECT   18   19   17   95   96                                       
CONECT   19   18    7   97   98                                       
CONECT   20    7   21   99  100                                       
CONECT   21   20   77  101  102                                       
CONECT   22   77   23  103  104                                       
CONECT   23   22   78  105  106                                       
CONECT   24   78   25  107  108                                       
CONECT   25   24   79  109  110                                       
CONECT   26   79   27  111  112                                       
CONECT   27   26   70  113  114                                       
CONECT   28   80   80   70   29                                       
CONECT   29   53   28   30   30                                       
CONECT   30   29   29   31  115                                       
CONECT   31   32   32   30  116                                       
CONECT   32   52   33   31   31                                       
CONECT   33   34   34   32   50                                       
CONECT   34   35   33   33  117                                       
CONECT   35   34   36   36  118                                       
CONECT   36   35   35   71   42                                       
CONECT   37   71   38  119  120                                       
CONECT   38   37   72  121  122                                       
CONECT   39   72  123  124  125                                       
CONECT   40   41   72  126  127                                       
CONECT   41   71   40  128  129                                       
CONECT   42   36   50   50   73                                       
CONECT   43   81   81   73   44                                       
CONECT   44   43   45   45   48                                       
CONECT   45   44   44   74  130                                       
CONECT   46   74   74   47   75                                       
CONECT   47   48   48   46  131                                       
CONECT   48   44   49   47   47                                       
CONECT   49   65   64   48   66                                       
CONECT   50   33   42   42  132                                       
CONECT   51    6    6   60  133                                       
CONECT   52   53   53   32  134                                       
CONECT   53   52   52   29  135                                       
CONECT   54   16   57   56   55                                       
CONECT   55   54  136  137  138                                       
CONECT   56   54  139  140  141                                       
CONECT   57   54  142  143  144                                       
CONECT   58   59   59   61  145                                       
CONECT   59   58   58    6  146                                       
CONECT   60   61   61   51  147                                       
CONECT   61   58   62   60   60                                       
CONECT   62   67   61  148  149                                       
CONECT   63   11   67   10   10                                       
CONECT   64   49                                                      
CONECT   65   49                                                      
CONECT   66   49                                                      
CONECT   67   63   62  150                                            
CONECT   68   14   15   11                                            
CONECT   69   17   16  151                                            
CONECT   70   27   28  152                                            
CONECT   71   37   36   41                                            
CONECT   72   38   40   39                                            
CONECT   73   42   43  153                                            
CONECT   74   45   46   46                                            
CONECT   75   46  154                                                 
CONECT   76   17   17                                                 
CONECT   77   21   22                                                 
CONECT   78   23   24                                                 
CONECT   79   25   26                                                 
CONECT   80   28   28                                                 
CONECT   81   43   43                                                 
CONECT   82    5    3                                                 
CONECT   83    2                                                      
CONECT   84    3                                                      
CONECT   85    9                                                      
CONECT   86    9                                                      
CONECT   87    9                                                      
CONECT   88   11                                                      
CONECT   89   12                                                      
CONECT   90   12                                                      
CONECT   91   13                                                      
CONECT   92   14                                                      
CONECT   93   14                                                      
CONECT   94   16                                                      
CONECT   95   18                                                      
CONECT   96   18                                                      
CONECT   97   19                                                      
CONECT   98   19                                                      
CONECT   99   20                                                      
CONECT  100   20                                                      
CONECT  101   21                                                      
CONECT  102   21                                                      
CONECT  103   22                                                      
CONECT  104   22                                                      
CONECT  105   23                                                      
CONECT  106   23                                                      
CONECT  107   24                                                      
CONECT  108   24                                                      
CONECT  109   25                                                      
CONECT  110   25                                                      
CONECT  111   26                                                      
CONECT  112   26                                                      
CONECT  113   27                                                      
CONECT  114   27                                                      
CONECT  115   30                                                      
CONECT  116   31                                                      
CONECT  117   34                                                      
CONECT  118   35                                                      
CONECT  119   37                                                      
CONECT  120   37                                                      
CONECT  121   38                                                      
CONECT  122   38                                                      
CONECT  123   39                                                      
CONECT  124   39                                                      
CONECT  125   39                                                      
CONECT  126   40                                                      
CONECT  127   40                                                      
CONECT  128   41                                                      
CONECT  129   41                                                      
CONECT  130   45                                                      
CONECT  131   47                                                      
CONECT  132   50                                                      
CONECT  133   51                                                      
CONECT  134   52                                                      
CONECT  135   53                                                      
CONECT  136   55                                                      
CONECT  137   55                                                      
CONECT  138   55                                                      
CONECT  139   56                                                      
CONECT  140   56                                                      
CONECT  141   56                                                      
CONECT  142   57                                                      
CONECT  143   57                                                      
CONECT  144   57                                                      
CONECT  145   58                                                      
CONECT  146   59                                                      
CONECT  147   60                                                      
CONECT  148   62                                                      
CONECT  149   62                                                      
CONECT  150   67                                                      
CONECT  151   69                                                      
CONECT  152   70                                                      
CONECT  153   73                                                      
CONECT  154   75                                                      
MASTER        0    0    0    0    0    0    0    0  154    0  154    0
END
