COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -22.599  11.579   8.067  1.00  0.00           C  
HETATM    2  C   UNL     1     -21.856  12.645   7.397  1.00  0.00           C  
HETATM    3  C   UNL     1     -23.978  11.776   8.268  1.00  0.00           C  
HETATM    4  N   UNL     1     -20.936  12.423   6.421  1.00  0.00           N  
HETATM    5  C   UNL     1     -20.307  13.632   5.945  1.00  0.00           C  
HETATM    6  C   UNL     1     -19.204  13.626   4.956  1.00  0.00           C  
HETATM    7  O   UNL     1     -18.743  14.700   4.602  1.00  0.00           O  
HETATM    8  C   UNL     1     -20.794  14.747   6.523  1.00  0.00           C  
HETATM    9  S   UNL     1     -22.038  14.379   7.703  1.00  0.00           S  
HETATM   10  N   UNL     1     -18.784  12.428   4.488  1.00  0.00           N  
HETATM   11  C   UNL     1     -17.630  12.356   3.575  1.00  0.00           C  
HETATM   12  C   UNL     1     -17.941  12.403   2.093  1.00  0.00           C  
HETATM   13  C   UNL     1     -16.705  11.177   3.970  1.00  0.00           C  
HETATM   14  C   UNL     1     -17.414   9.829   4.109  1.00  0.00           C  
HETATM   15  O   UNL     1     -18.642   9.722   4.052  1.00  0.00           O  
HETATM   16  N   UNL     1     -16.555   8.794   4.310  1.00  0.00           N  
HETATM   17  C   UNL     1     -17.119   7.452   4.476  1.00  0.00           C  
HETATM   18  N   UNL     1     -16.970  12.411   1.186  1.00  0.00           N  
HETATM   19  C   UNL     1     -17.453  12.192  -0.182  1.00  0.00           C  
HETATM   20  C   UNL     1     -16.483  12.086  -1.302  1.00  0.00           C  
HETATM   21  O   UNL     1     -16.866  11.937  -2.451  1.00  0.00           O  
HETATM   22  C   UNL     1     -18.806  12.083  -0.226  1.00  0.00           C  
HETATM   23  S   UNL     1     -19.522  12.263   1.369  1.00  0.00           S  
HETATM   24  C   UNL     1     -19.695  11.869  -1.433  1.00  0.00           C  
HETATM   25  N   UNL     1     -15.200  12.311  -0.942  1.00  0.00           N  
HETATM   26  C   UNL     1     -14.053  12.185  -1.842  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.993  11.284  -1.212  1.00  0.00           C  
HETATM   28  C   UNL     1     -13.476  13.576  -2.208  1.00  0.00           C  
HETATM   29  C   UNL     1     -13.124  14.408  -0.963  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.295  13.455  -3.178  1.00  0.00           C  
HETATM   31  N   UNL     1     -12.738  11.319   0.100  1.00  0.00           N  
HETATM   32  C   UNL     1     -12.076  10.115   0.613  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.772   9.979   2.072  1.00  0.00           C  
HETATM   34  O   UNL     1     -11.287   8.939   2.516  1.00  0.00           O  
HETATM   35  C   UNL     1     -11.763   9.262  -0.405  1.00  0.00           C  
HETATM   36  S   UNL     1     -12.262   9.891  -1.971  1.00  0.00           S  
HETATM   37  C   UNL     1     -11.052   7.926  -0.323  1.00  0.00           C  
HETATM   38  O   UNL     1     -11.235   7.192  -1.535  1.00  0.00           O  
HETATM   39  C   UNL     1     -12.497   6.524  -1.587  1.00  0.00           C  
HETATM   40  N   UNL     1     -12.055  11.055   2.841  1.00  0.00           N  
HETATM   41  C   UNL     1     -11.764  11.048   4.273  1.00  0.00           C  
HETATM   42  C   UNL     1     -12.864  10.547   5.197  1.00  0.00           C  
HETATM   43  O   UNL     1     -13.849   9.953   4.796  1.00  0.00           O  
HETATM   44  N   UNL     1     -12.574  10.802   6.484  1.00  0.00           N  
HETATM   45  C   UNL     1     -13.455  10.442   7.583  1.00  0.00           C  
HETATM   46  C   UNL     1     -14.794  11.124   7.551  1.00  0.00           C  
HETATM   47  C   UNL     1     -12.785  10.810   8.892  1.00  0.00           C  
HETATM   48  O   UNL     1     -13.579  10.494   9.895  1.00  0.00           O  
HETATM   49  C   UNL     1     -11.504  10.101   8.973  1.00  0.00           C  
HETATM   50  C   UNL     1     -11.471   8.684   8.813  1.00  0.00           C  
HETATM   51  C   UNL     1     -10.243   8.003   8.873  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.053   8.750   9.040  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.069  10.167   9.158  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.309  10.848   9.116  1.00  0.00           C  
HETATM   55  N   UNL     1     -15.859  10.373   7.477  1.00  0.00           N  
HETATM   56  C   UNL     1     -17.062  11.096   7.823  1.00  0.00           C  
HETATM   57  C   UNL     1     -18.334  10.416   7.848  1.00  0.00           C  
HETATM   58  C   UNL     1     -16.874  12.407   8.059  1.00  0.00           C  
HETATM   59  S   UNL     1     -15.189  12.819   7.817  1.00  0.00           S  
HETATM   60  N   UNL     1     -19.504  10.960   8.187  1.00  0.00           N  
HETATM   61  C   UNL     1     -20.622  10.004   8.168  1.00  0.00           C  
HETATM   62  C   UNL     1     -22.035  10.328   8.412  1.00  0.00           C  
HETATM   63  C   UNL     1     -20.229   8.760   7.827  1.00  0.00           C  
HETATM   64  S   UNL     1     -18.516   8.691   7.490  1.00  0.00           S  
HETATM   65  N   UNL     1     -22.794   9.328   8.901  1.00  0.00           N  
HETATM   66  C   UNL     1     -24.110   9.519   9.111  1.00  0.00           C  
HETATM   67  C   UNL     1     -24.877   8.415   9.663  1.00  0.00           C  
HETATM   68  C   UNL     1     -24.748  10.743   8.812  1.00  0.00           C  
HETATM   69  N   UNL     1     -26.194   8.470   9.919  1.00  0.00           N  
HETATM   70  N   UNL     1     -28.190   7.147  10.805  1.00  0.00           N  
HETATM   71  C   UNL     1     -26.747   7.233  10.458  1.00  0.00           C  
HETATM   72  C   UNL     1     -25.809   6.273  10.581  1.00  0.00           C  
HETATM   73  S   UNL     1     -24.217   6.844  10.112  1.00  0.00           S  
HETATM   74  C   UNL     1     -28.774   6.013  11.277  1.00  0.00           C  
HETATM   75  O   UNL     1     -28.180   4.982  11.575  1.00  0.00           O  
HETATM   76  C   UNL     1     -31.786   7.513  13.223  1.00  0.00           C  
HETATM   77  C   UNL     1     -32.604   7.974  12.004  1.00  0.00           C  
HETATM   78  C   UNL     1     -32.523   6.958  10.834  1.00  0.00           C  
HETATM   79  C   UNL     1     -31.057   6.695  10.443  1.00  0.00           C  
HETATM   80  C   UNL     1     -30.231   6.246  11.664  1.00  0.00           C  
HETATM   81  C   UNL     1     -30.327   7.250  12.831  1.00  0.00           C  
HETATM   82  C   UNL     1     -34.052   8.241  12.417  1.00  0.00           C  
HETATM   83  O   UNL     1     -34.259   9.016  13.306  1.00  0.00           O  
HETATM   84  O   UNL     1     -34.962   7.698  11.809  1.00  0.00           O  
HETATM   85  H   UNL     1     -22.363  11.995   9.058  1.00  0.00           H  
HETATM   86  H   UNL     1     -24.083  12.641   8.939  1.00  0.00           H  
HETATM   87  H   UNL     1     -24.413  12.017   7.287  1.00  0.00           H  
HETATM   88  H   UNL     1     -21.392  11.977   5.650  1.00  0.00           H  
HETATM   89  H   UNL     1     -20.459  15.746   6.288  1.00  0.00           H  
HETATM   90  H   UNL     1     -19.257  11.591   4.762  1.00  0.00           H  
HETATM   91  H   UNL     1     -17.036  13.260   3.775  1.00  0.00           H  
HETATM   92  H   UNL     1     -15.928  11.078   3.198  1.00  0.00           H  
HETATM   93  H   UNL     1     -16.235  11.418   4.935  1.00  0.00           H  
HETATM   94  H   UNL     1     -15.567   8.945   4.344  1.00  0.00           H  
HETATM   95  H   UNL     1     -16.305   6.728   4.629  1.00  0.00           H  
HETATM   96  H   UNL     1     -17.788   7.441   5.349  1.00  0.00           H  
HETATM   97  H   UNL     1     -17.688   7.179   3.575  1.00  0.00           H  
HETATM   98  H   UNL     1     -16.318  11.687   1.412  1.00  0.00           H  
HETATM   99  H   UNL     1     -20.748  11.855  -1.116  1.00  0.00           H  
HETATM  100  H   UNL     1     -19.540  12.687  -2.152  1.00  0.00           H  
HETATM  101  H   UNL     1     -19.443  10.910  -1.908  1.00  0.00           H  
HETATM  102  H   UNL     1     -15.022  12.582   0.004  1.00  0.00           H  
HETATM  103  H   UNL     1     -14.389  11.709  -2.775  1.00  0.00           H  
HETATM  104  H   UNL     1     -14.272  14.119  -2.739  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.720  15.382  -1.275  1.00  0.00           H  
HETATM  106  H   UNL     1     -14.029  14.563  -0.358  1.00  0.00           H  
HETATM  107  H   UNL     1     -12.371  13.873  -0.366  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.911  14.458  -3.416  1.00  0.00           H  
HETATM  109  H   UNL     1     -11.497  12.858  -2.712  1.00  0.00           H  
HETATM  110  H   UNL     1     -12.629  12.962  -4.103  1.00  0.00           H  
HETATM  111  H   UNL     1     -13.605  11.432   0.586  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.977   8.096  -0.160  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.463   7.347   0.517  1.00  0.00           H  
HETATM  114  H   UNL     1     -12.584   5.977  -2.537  1.00  0.00           H  
HETATM  115  H   UNL     1     -12.572   5.816  -0.748  1.00  0.00           H  
HETATM  116  H   UNL     1     -13.307   7.265  -1.515  1.00  0.00           H  
HETATM  117  H   UNL     1     -12.468  11.865   2.425  1.00  0.00           H  
HETATM  118  H   UNL     1     -10.882  10.409   4.430  1.00  0.00           H  
HETATM  119  H   UNL     1     -11.526  12.080   4.569  1.00  0.00           H  
HETATM  120  H   UNL     1     -11.711  11.261   6.696  1.00  0.00           H  
HETATM  121  H   UNL     1     -13.618   9.354   7.572  1.00  0.00           H  
HETATM  122  H   UNL     1     -12.586  11.892   8.878  1.00  0.00           H  
HETATM  123  H   UNL     1     -13.160  10.724  10.716  1.00  0.00           H  
HETATM  124  H   UNL     1     -12.387   8.136   8.646  1.00  0.00           H  
HETATM  125  H   UNL     1     -10.344  11.925   9.192  1.00  0.00           H  
HETATM  126  H   UNL     1     -10.208   6.927   8.793  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.107   8.230   9.079  1.00  0.00           H  
HETATM  128  H   UNL     1      -8.147  10.716   9.278  1.00  0.00           H  
HETATM  129  H   UNL     1     -15.754   9.603   8.106  1.00  0.00           H  
HETATM  130  H   UNL     1     -17.647  13.102   8.354  1.00  0.00           H  
HETATM  131  H   UNL     1     -19.708  11.699   7.544  1.00  0.00           H  
HETATM  132  H   UNL     1     -20.892   7.910   7.769  1.00  0.00           H  
HETATM  133  H   UNL     1     -25.553  10.524   8.095  1.00  0.00           H  
HETATM  134  H   UNL     1     -25.184  11.120   9.749  1.00  0.00           H  
HETATM  135  H   UNL     1     -26.671   8.682   9.066  1.00  0.00           H  
HETATM  136  H   UNL     1     -28.758   7.961  10.686  1.00  0.00           H  
HETATM  137  H   UNL     1     -26.013   5.271  10.927  1.00  0.00           H  
HETATM  138  H   UNL     1     -32.225   6.587  13.623  1.00  0.00           H  
HETATM  139  H   UNL     1     -31.817   8.296  13.995  1.00  0.00           H  
HETATM  140  H   UNL     1     -32.174   8.923  11.651  1.00  0.00           H  
HETATM  141  H   UNL     1     -32.989   6.011  11.145  1.00  0.00           H  
HETATM  142  H   UNL     1     -33.061   7.364   9.965  1.00  0.00           H  
HETATM  143  H   UNL     1     -31.025   5.906   9.677  1.00  0.00           H  
HETATM  144  H   UNL     1     -30.622   7.619  10.035  1.00  0.00           H  
HETATM  145  H   UNL     1     -30.645   5.288  12.013  1.00  0.00           H  
HETATM  146  H   UNL     1     -29.862   8.199  12.526  1.00  0.00           H  
HETATM  147  H   UNL     1     -29.791   6.841  13.700  1.00  0.00           H  
HETATM  148  H   UNL     1     -35.796   7.992  12.157  1.00  0.00           H  
CONECT    1    2    3   85   62                                       
CONECT    2    1    9    4                                            
CONECT    3    1   86   87   68                                       
CONECT    4    5   88    2                                            
CONECT    5    4    6    8    8                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6                                                 
CONECT    8    5    5    9   89                                       
CONECT    9    8    2                                                 
CONECT   10   11   90    6                                            
CONECT   11   10   12   13   91                                       
CONECT   12   11   23   18                                            
CONECT   13   11   14   92   93                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   94                                            
CONECT   17   16   95   96   97                                       
CONECT   18   19   98   12                                            
CONECT   19   18   20   22   22                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20                                                 
CONECT   22   19   19   23   24                                       
CONECT   23   22   12                                                 
CONECT   24   22   99  100  101                                       
CONECT   25   26  102   20                                            
CONECT   26   25   27   28  103                                       
CONECT   27   26   31   36                                            
CONECT   28   26   29   30  104                                       
CONECT   29   28  105  106  107                                       
CONECT   30   28  108  109  110                                       
CONECT   31   32  111   27                                            
CONECT   32   31   33   35   35                                       
CONECT   33   32   34   34   40                                       
CONECT   34   33   33                                                 
CONECT   35   32   32   36   37                                       
CONECT   36   35   27                                                 
CONECT   37   35   38  112  113                                       
CONECT   38   37   39                                                 
CONECT   39   38  114  115  116                                       
CONECT   40   41  117   33                                            
CONECT   41   40   42  118  119                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   45  120   42                                            
CONECT   45   44   46   47  121                                       
CONECT   46   45   55   59                                            
CONECT   47   45   48   49  122                                       
CONECT   48   47  123                                                 
CONECT   49   47   50   54   54                                       
CONECT   50   49   51   51  124                                       
CONECT   51   50   50   52  126                                       
CONECT   52   51   53   53  127                                       
CONECT   53   52   52   54  128                                       
CONECT   54   49   49   53  125                                       
CONECT   55   56  129   46                                            
CONECT   56   55   57   58   58                                       
CONECT   57   56   64   60                                            
CONECT   58   56   56   59  130                                       
CONECT   59   58   46                                                 
CONECT   60   61  131   57                                            
CONECT   61   60   62   63   63                                       
CONECT   62   61    1   65                                            
CONECT   63   61   61   64  132                                       
CONECT   64   63   57                                                 
CONECT   65   66   66   62                                            
CONECT   66   65   65   67   68                                       
CONECT   67   66   69   73                                            
CONECT   68   66  133  134    3                                       
CONECT   69  135   71   67                                            
CONECT   70   71   74  136                                            
CONECT   71   69   70   72   72                                       
CONECT   72   71   71   73  137                                       
CONECT   73   72   67                                                 
CONECT   74   70   80   75   75                                       
CONECT   75   74   74                                                 
CONECT   76   81   77  138  139                                       
CONECT   77   76   78   82  140                                       
CONECT   78   77   79  141  142                                       
CONECT   79   78   80  143  144                                       
CONECT   80   74   79   81  145                                       
CONECT   81   76   80  146  147                                       
CONECT   82   77   84   83   83                                       
CONECT   83   82   82                                                 
CONECT   84   82  148                                                 
CONECT   85    1                                                      
CONECT   86    3                                                      
CONECT   87    3                                                      
CONECT   88    4                                                      
CONECT   89    8                                                      
CONECT   90   10                                                      
CONECT   91   11                                                      
CONECT   92   13                                                      
CONECT   93   13                                                      
CONECT   94   16                                                      
CONECT   95   17                                                      
CONECT   96   17                                                      
CONECT   97   17                                                      
CONECT   98   18                                                      
CONECT   99   24                                                      
CONECT  100   24                                                      
CONECT  101   24                                                      
CONECT  102   25                                                      
CONECT  103   26                                                      
CONECT  104   28                                                      
CONECT  105   29                                                      
CONECT  106   29                                                      
CONECT  107   29                                                      
CONECT  108   30                                                      
CONECT  109   30                                                      
CONECT  110   30                                                      
CONECT  111   31                                                      
CONECT  112   37                                                      
CONECT  113   37                                                      
CONECT  114   39                                                      
CONECT  115   39                                                      
CONECT  116   39                                                      
CONECT  117   40                                                      
CONECT  118   41                                                      
CONECT  119   41                                                      
CONECT  120   44                                                      
CONECT  121   45                                                      
CONECT  122   47                                                      
CONECT  123   48                                                      
CONECT  124   50                                                      
CONECT  125   54                                                      
CONECT  126   51                                                      
CONECT  127   52                                                      
CONECT  128   53                                                      
CONECT  129   55                                                      
CONECT  130   58                                                      
CONECT  131   60                                                      
CONECT  132   63                                                      
CONECT  133   68                                                      
CONECT  134   68                                                      
CONECT  135   69                                                      
CONECT  136   70                                                      
CONECT  137   72                                                      
CONECT  138   76                                                      
CONECT  139   76                                                      
CONECT  140   77                                                      
CONECT  141   78                                                      
CONECT  142   78                                                      
CONECT  143   79                                                      
CONECT  144   79                                                      
CONECT  145   80                                                      
CONECT  146   81                                                      
CONECT  147   81                                                      
CONECT  148   84                                                      
MASTER        0    0    0    0    0    0    0    0  148    0  148    0
END
