COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.029  -3.540  -4.227  1.00  0.00           C  
HETATM    2  C   UNL     1       1.378  -3.068  -3.859  1.00  0.00           C  
HETATM    3  C   UNL     1       2.427  -3.674  -4.793  1.00  0.00           C  
HETATM    4  C   UNL     1       2.261  -5.202  -4.825  1.00  0.00           C  
HETATM    5  C   UNL     1       0.796  -5.649  -5.116  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.109  -4.964  -4.230  1.00  0.00           O  
HETATM    7  O   UNL     1       1.431  -1.647  -3.915  1.00  0.00           O  
HETATM    8  O   UNL     1       2.272  -3.110  -6.094  1.00  0.00           O  
HETATM    9  N   UNL     1       3.235  -5.795  -5.742  1.00  0.00           N  
HETATM   10  C   UNL     1       0.624  -7.142  -4.773  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.974  -3.015  -3.290  1.00  0.00           O  
HETATM   12  C   UNL     1       0.337  -5.456  -6.572  1.00  0.00           C  
HETATM   13  C   UNL     1       3.083  -7.249  -5.778  1.00  0.00           C  
HETATM   14  C   UNL     1       4.594  -5.432  -5.347  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.558  -0.123   3.826  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.475   1.188   4.296  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.287   1.907   4.160  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.182   1.309   3.553  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.266   0.002   3.085  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.450  -0.695   3.228  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.555   1.768   4.888  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.590  -2.092   2.745  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.039   2.054   3.443  1.00  0.00           O  
HETATM   24  C   UNL     1       0.069   1.475   2.841  1.00  0.00           C  
HETATM   25  C   UNL     1       0.045   0.075   2.317  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.152  -0.585   2.478  1.00  0.00           N  
HETATM   27  C   UNL     1       1.200   2.182   2.721  1.00  0.00           C  
HETATM   28  O   UNL     1       1.023  -0.444   1.783  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.875  -2.346   2.376  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.402   3.111   5.346  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.659  -2.881   2.698  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.198  -2.993  -0.376  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.532  -3.359  -1.530  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.984  -4.644  -1.688  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.991  -5.546  -0.638  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.652  -5.186   0.538  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.287  -3.930   0.668  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.311  -2.673  -2.778  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.979  -1.780  -3.513  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.302  -3.436  -3.604  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.520  -4.898  -3.130  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.136  -3.660   1.894  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.636  -2.936  -4.979  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.540  -1.942  -4.885  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.628  -3.805   1.569  1.00  0.00           C  
HETATM   46  O   UNL     1      -6.905  -5.173   1.212  1.00  0.00           O  
HETATM   47  C   UNL     1      -7.958  -5.392   0.372  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.069  -6.870   0.055  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.232  -7.123  -1.452  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.840  -7.611  -2.191  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.662  -7.234  -2.840  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.603  -6.008  -3.499  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.744  -5.216  -3.618  1.00  0.00           C  
HETATM   54  C   UNL     1      -6.921  -5.600  -2.976  1.00  0.00           C  
HETATM   55  C   UNL     1      -6.977  -6.788  -2.232  1.00  0.00           C  
HETATM   56  O   UNL     1      -3.426  -5.570  -4.039  1.00  0.00           O  
HETATM   57  N   UNL     1      -8.671  -8.544  -1.633  1.00  0.00           N1+
HETATM   58  O   UNL     1      -5.735  -4.086  -4.380  1.00  0.00           O  
HETATM   59 CL   UNL     1      -3.525  -8.498  -3.095  1.00  0.00          Cl  
HETATM   60  O   UNL     1      -8.722  -4.541  -0.062  1.00  0.00           O  
HETATM   61  H   UNL     1      -0.331  -3.154  -5.207  1.00  0.00           H  
HETATM   62  H   UNL     1       1.599  -3.360  -2.825  1.00  0.00           H  
HETATM   63  H   UNL     1       3.431  -3.395  -4.453  1.00  0.00           H  
HETATM   64  H   UNL     1       2.513  -5.559  -3.816  1.00  0.00           H  
HETATM   65  H   UNL     1       1.564  -1.411  -4.847  1.00  0.00           H  
HETATM   66  H   UNL     1       1.608  -3.650  -6.550  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.325  -7.311  -4.257  1.00  0.00           H  
HETATM   68  H   UNL     1       0.635  -7.749  -5.683  1.00  0.00           H  
HETATM   69  H   UNL     1       1.435  -7.483  -4.123  1.00  0.00           H  
HETATM   70  H   UNL     1       1.198  -5.317  -7.232  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.224  -6.330  -6.917  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.309  -4.577  -6.658  1.00  0.00           H  
HETATM   73  H   UNL     1       2.112  -7.535  -5.364  1.00  0.00           H  
HETATM   74  H   UNL     1       3.871  -7.726  -5.189  1.00  0.00           H  
HETATM   75  H   UNL     1       3.147  -7.611  -6.807  1.00  0.00           H  
HETATM   76  H   UNL     1       4.923  -4.548  -5.899  1.00  0.00           H  
HETATM   77  H   UNL     1       5.282  -6.255  -5.558  1.00  0.00           H  
HETATM   78  H   UNL     1       4.630  -5.211  -4.276  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.489  -0.675   3.937  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.223   2.928   4.527  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.223  -1.540   2.140  1.00  0.00           H  
HETATM   82  H   UNL     1       1.258   3.201   3.088  1.00  0.00           H  
HETATM   83  H   UNL     1       2.077   1.749   2.253  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.991   3.781   4.715  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.347   3.391   5.308  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.758   3.178   6.377  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.677  -2.021  -0.298  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.554  -6.534  -0.740  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.715  -5.913   1.344  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.853  -1.221  -3.219  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.573  -5.452  -3.120  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.861  -4.358   2.693  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.176  -3.275  -5.895  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.952  -1.387  -5.713  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.226  -3.554   2.453  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.919  -3.114   0.768  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.187  -7.396   0.441  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.936  -7.245   0.612  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.073  -6.538  -1.842  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.850  -8.541  -1.629  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.786  -4.944  -3.037  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.310  -8.617  -2.426  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.150  -8.874  -0.795  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.864  -9.143  -1.807  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.586  -3.626  -4.308  1.00  0.00           H  
CONECT    1    2    6   11   61                                       
CONECT    2    1    3    7   62                                       
CONECT    3    2    4    8   63                                       
CONECT    4    3    5    9   64                                       
CONECT    5    4    6   10   12                                       
CONECT    6    1    5                                                 
CONECT    7    2   65                                                 
CONECT    8    3   66                                                 
CONECT    9    4   13   14                                            
CONECT   10    5   67   68   69                                       
CONECT   11    1   40                                                 
CONECT   12    5   70   71   72                                       
CONECT   13    9   73   74   75                                       
CONECT   14    9   76   77   78                                       
CONECT   15   16   16   20   79                                       
CONECT   16   15   15   17   21                                       
CONECT   17   16   18   18   80                                       
CONECT   18   17   17   19   23                                       
CONECT   19   18   20   20   26                                       
CONECT   20   15   19   19   22                                       
CONECT   21   16   30                                                 
CONECT   22   20   29   31   31                                       
CONECT   23   18   24                                                 
CONECT   24   23   25   27   27                                       
CONECT   25   24   26   28   28                                       
CONECT   26   19   25   81                                            
CONECT   27   24   24   82   83                                       
CONECT   28   25   25                                                 
CONECT   29   22   42                                                 
CONECT   30   21   84   85   86                                       
CONECT   31   22   22                                                 
CONECT   32   33   33   37   87                                       
CONECT   33   32   32   34   38                                       
CONECT   34   33   35   35   41                                       
CONECT   35   34   34   36   88                                       
CONECT   36   35   37   37   89                                       
CONECT   37   32   36   36   42                                       
CONECT   38   33   39   39   40                                       
CONECT   39   38   38   44   90                                       
CONECT   40   11   38   41   43                                       
CONECT   41   34   40   56   91                                       
CONECT   42   29   37   45   92                                       
CONECT   43   40   44   44   93                                       
CONECT   44   39   43   43   94                                       
CONECT   45   42   46   95   96                                       
CONECT   46   45   47                                                 
CONECT   47   46   48   60   60                                       
CONECT   48   47   49   97   98                                       
CONECT   49   48   55   57   99                                       
CONECT   50   51   51   55  100                                       
CONECT   51   50   50   52   59                                       
CONECT   52   51   53   53   56                                       
CONECT   53   52   52   54   58                                       
CONECT   54   53   55   55  101                                       
CONECT   55   49   50   54   54                                       
CONECT   56   41   52                                                 
CONECT   57   49  102  103  104                                       
CONECT   58   53  105                                                 
CONECT   59   51                                                      
CONECT   60   47   47                                                 
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   14                                                      
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   17                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   32                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   39                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
CONECT   99   49                                                      
CONECT  100   50                                                      
CONECT  101   54                                                      
CONECT  102   57                                                      
CONECT  103   57                                                      
CONECT  104   57                                                      
CONECT  105   58                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
