COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      15.085  -0.309  -1.600  1.00  0.00           C  
HETATM    2  C   UNL     1      14.080  -0.161  -0.456  1.00  0.00           C  
HETATM    3  C   UNL     1      12.835   0.571  -0.962  1.00  0.00           C  
HETATM    4  C   UNL     1      11.830   0.719   0.181  1.00  0.00           C  
HETATM    5  O   UNL     1      12.381   1.565   1.193  1.00  0.00           O  
HETATM    6  N   UNL     1      10.589   1.314  -0.332  1.00  0.00           N  
HETATM    7  C   UNL     1       9.416   0.763   0.360  1.00  0.00           C  
HETATM    8  C   UNL     1       8.205   0.883  -0.530  1.00  0.00           C  
HETATM    9  O   UNL     1       8.309   1.379  -1.632  1.00  0.00           O  
HETATM   10  C   UNL     1       9.176   1.541   1.656  1.00  0.00           C  
HETATM   11  N   UNL     1       7.007   0.440  -0.101  1.00  0.00           N  
HETATM   12  C   UNL     1       5.830   0.557  -0.966  1.00  0.00           C  
HETATM   13  C   UNL     1       4.585   0.590  -0.118  1.00  0.00           C  
HETATM   14  O   UNL     1       4.658   0.383   1.075  1.00  0.00           O  
HETATM   15  C   UNL     1       5.772  -0.644  -1.912  1.00  0.00           C  
HETATM   16  O   UNL     1       5.682  -1.849  -1.148  1.00  0.00           O  
HETATM   17  C   UNL     1       7.037  -0.678  -2.772  1.00  0.00           C  
HETATM   18  N   UNL     1       3.390   0.848  -0.685  1.00  0.00           N  
HETATM   19  C   UNL     1       2.197   0.989   0.153  1.00  0.00           C  
HETATM   20  C   UNL     1       1.610  -0.372   0.425  1.00  0.00           C  
HETATM   21  O   UNL     1       0.940  -0.569   1.417  1.00  0.00           O  
HETATM   22  C   UNL     1       1.163   1.853  -0.573  1.00  0.00           C  
HETATM   23  O   UNL     1       0.101   2.218   0.346  1.00  0.00           O  
HETATM   24  C   UNL     1       0.574   1.066  -1.745  1.00  0.00           C  
HETATM   25  N   UNL     1       1.848  -1.381  -0.468  1.00  0.00           N  
HETATM   26  C   UNL     1       1.225  -2.681  -0.124  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.109  -2.766  -0.822  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.415  -1.944  -1.660  1.00  0.00           O  
HETATM   29  C   UNL     1       1.021  -2.772   1.389  1.00  0.00           C  
HETATM   30  C   UNL     1       2.346  -2.490   2.100  1.00  0.00           C  
HETATM   31  C   UNL     1       2.117  -2.457   3.612  1.00  0.00           C  
HETATM   32  C   UNL     1       3.352  -3.592   1.760  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.965  -3.776  -0.502  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.255  -3.794  -1.218  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.159  -2.767  -0.610  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.712  -1.656  -0.418  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.865  -5.188  -1.102  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.347  -5.128  -1.481  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.092  -4.285  -0.446  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.117  -4.982   0.801  1.00  0.00           O  
HETATM   41  N   UNL     1      -4.428  -2.999  -0.267  1.00  0.00           N  
HETATM   42  C   UNL     1      -5.199  -1.903   0.325  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.081  -1.963   1.849  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.545  -3.334   2.344  1.00  0.00           C  
HETATM   45  O   UNL     1      -3.719  -1.755   2.230  1.00  0.00           O  
HETATM   46  C   UNL     1      -4.666  -0.584  -0.168  1.00  0.00           C  
HETATM   47  O   UNL     1      -3.891  -0.548  -1.099  1.00  0.00           O  
HETATM   48  N   UNL     1      -5.062   0.568   0.442  1.00  0.00           N  
HETATM   49  C   UNL     1      -5.904   0.560   1.640  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.593   1.826  -0.173  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.631   2.926   0.056  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.878   2.611  -0.731  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.002   2.138  -0.082  1.00  0.00           C  
HETATM   54  C   UNL     1      -9.147   1.849  -0.802  1.00  0.00           C  
HETATM   55 CL   UNL     1     -10.560   1.256   0.014  1.00  0.00          Cl  
HETATM   56  C   UNL     1      -9.165   2.035  -2.177  1.00  0.00           C  
HETATM   57  O   UNL     1     -10.289   1.752  -2.887  1.00  0.00           O  
HETATM   58  C   UNL     1      -8.035   2.509  -2.825  1.00  0.00           C  
HETATM   59  C   UNL     1      -6.896   2.802  -2.101  1.00  0.00           C  
HETATM   60  C   UNL     1      -3.286   2.227   0.461  1.00  0.00           C  
HETATM   61  O   UNL     1      -2.576   1.400   0.993  1.00  0.00           O  
HETATM   62  N   UNL     1      -2.915   3.544   0.423  1.00  0.00           N  
HETATM   63  C   UNL     1      -1.614   3.845   1.063  1.00  0.00           C  
HETATM   64  C   UNL     1      -0.507   3.398   0.142  1.00  0.00           C  
HETATM   65  O   UNL     1      -0.169   4.101  -0.781  1.00  0.00           O  
HETATM   66  C   UNL     1      -1.509   3.095   2.392  1.00  0.00           C  
HETATM   67  C   UNL     1      -0.252   3.548   3.136  1.00  0.00           C  
HETATM   68  C   UNL     1      -2.743   3.395   3.245  1.00  0.00           C  
HETATM   69  H   UNL     1      15.368   0.678  -1.965  1.00  0.00           H  
HETATM   70  H   UNL     1      15.972  -0.831  -1.239  1.00  0.00           H  
HETATM   71  H   UNL     1      14.632  -0.880  -2.410  1.00  0.00           H  
HETATM   72  H   UNL     1      13.797  -1.148  -0.091  1.00  0.00           H  
HETATM   73  H   UNL     1      14.533   0.410   0.354  1.00  0.00           H  
HETATM   74  H   UNL     1      13.118   1.559  -1.328  1.00  0.00           H  
HETATM   75  H   UNL     1      12.382   0.000  -1.773  1.00  0.00           H  
HETATM   76  H   UNL     1      11.615  -0.262   0.605  1.00  0.00           H  
HETATM   77  H   UNL     1      12.597   2.456   0.886  1.00  0.00           H  
HETATM   78  H   UNL     1      10.512   1.187  -1.330  1.00  0.00           H  
HETATM   79  H   UNL     1       9.592  -0.287   0.594  1.00  0.00           H  
HETATM   80  H   UNL     1      10.051   1.454   2.299  1.00  0.00           H  
HETATM   81  H   UNL     1       9.000   2.591   1.421  1.00  0.00           H  
HETATM   82  H   UNL     1       8.305   1.133   2.169  1.00  0.00           H  
HETATM   83  H   UNL     1       6.924   0.044   0.781  1.00  0.00           H  
HETATM   84  H   UNL     1       5.898   1.475  -1.548  1.00  0.00           H  
HETATM   85  H   UNL     1       4.897  -0.557  -2.556  1.00  0.00           H  
HETATM   86  H   UNL     1       4.903  -1.896  -0.578  1.00  0.00           H  
HETATM   87  H   UNL     1       7.914  -0.706  -2.126  1.00  0.00           H  
HETATM   88  H   UNL     1       7.022  -1.566  -3.404  1.00  0.00           H  
HETATM   89  H   UNL     1       7.075   0.213  -3.398  1.00  0.00           H  
HETATM   90  H   UNL     1       3.320   0.941  -1.648  1.00  0.00           H  
HETATM   91  H   UNL     1       2.468   1.463   1.096  1.00  0.00           H  
HETATM   92  H   UNL     1       1.644   2.756  -0.949  1.00  0.00           H  
HETATM   93  H   UNL     1       0.094   0.161  -1.371  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.162   1.680  -2.263  1.00  0.00           H  
HETATM   95  H   UNL     1       1.371   0.794  -2.437  1.00  0.00           H  
HETATM   96  H   UNL     1       2.384  -1.255  -1.266  1.00  0.00           H  
HETATM   97  H   UNL     1       1.867  -3.496  -0.459  1.00  0.00           H  
HETATM   98  H   UNL     1       0.278  -2.037   1.701  1.00  0.00           H  
HETATM   99  H   UNL     1       0.674  -3.772   1.650  1.00  0.00           H  
HETATM  100  H   UNL     1       2.737  -1.527   1.771  1.00  0.00           H  
HETATM  101  H   UNL     1       1.726  -3.420   3.942  1.00  0.00           H  
HETATM  102  H   UNL     1       3.061  -2.257   4.119  1.00  0.00           H  
HETATM  103  H   UNL     1       1.401  -1.672   3.855  1.00  0.00           H  
HETATM  104  H   UNL     1       3.515  -3.615   0.683  1.00  0.00           H  
HETATM  105  H   UNL     1       4.296  -3.391   2.266  1.00  0.00           H  
HETATM  106  H   UNL     1       2.961  -4.555   2.089  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.739  -4.448   0.160  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.082  -3.560  -2.266  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.345  -5.870  -1.775  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.766  -5.544  -0.076  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.453  -4.675  -2.466  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.761  -6.137  -1.496  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.114  -4.117  -0.786  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.557  -5.842   0.762  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.246  -2.000   0.038  1.00  0.00           H  
HETATM  116  H   UNL     1      -5.704  -1.186   2.293  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.896  -3.250   3.372  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.357  -3.693   1.711  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.713  -4.037   2.301  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.569  -1.780   3.185  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.279   0.425   2.523  1.00  0.00           H  
HETATM  122  H   UNL     1      -6.439   1.507   1.715  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.621  -0.258   1.574  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.449   1.677  -1.244  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.875   2.980   1.117  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.226   3.882  -0.273  1.00  0.00           H  
HETATM  127  H   UNL     1      -7.987   1.994   0.988  1.00  0.00           H  
HETATM  128  H   UNL     1     -10.896   2.499  -2.977  1.00  0.00           H  
HETATM  129  H   UNL     1      -8.046   2.655  -3.896  1.00  0.00           H  
HETATM  130  H   UNL     1      -6.017   3.176  -2.605  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.463   4.228   0.009  1.00  0.00           H  
HETATM  132  H   UNL     1      -1.532   4.918   1.238  1.00  0.00           H  
HETATM  133  H   UNL     1      -1.451   2.023   2.200  1.00  0.00           H  
HETATM  134  H   UNL     1      -0.309   4.620   3.327  1.00  0.00           H  
HETATM  135  H   UNL     1      -0.177   3.013   4.083  1.00  0.00           H  
HETATM  136  H   UNL     1       0.627   3.335   2.528  1.00  0.00           H  
HETATM  137  H   UNL     1      -3.639   3.071   2.715  1.00  0.00           H  
HETATM  138  H   UNL     1      -2.668   2.860   4.192  1.00  0.00           H  
HETATM  139  H   UNL     1      -2.801   4.466   3.437  1.00  0.00           H  
CONECT    1    2   69   70   71                                       
CONECT    2    1    3   72   73                                       
CONECT    3    2    4   74   75                                       
CONECT    4    3    5   76    6                                       
CONECT    5    4   77                                                 
CONECT    6    7   78    4                                            
CONECT    7    6    8   10   79                                       
CONECT    8    7    9    9   11                                       
CONECT    9    8    8                                                 
CONECT   10    7   80   81   82                                       
CONECT   11   12   83    8                                            
CONECT   12   11   13   15   84                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   85                                       
CONECT   16   15   86                                                 
CONECT   17   15   87   88   89                                       
CONECT   18   19   90   13                                            
CONECT   19   18   20   22   91                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   24   92                                       
CONECT   23   22   64                                                 
CONECT   24   22   93   94   95                                       
CONECT   25   26   96   20                                            
CONECT   26   25   27   29   97                                       
CONECT   27   26   28   28   33                                       
CONECT   28   27   27                                                 
CONECT   29   26   30   98   99                                       
CONECT   30   29   31   32  100                                       
CONECT   31   30  101  102  103                                       
CONECT   32   30  104  105  106                                       
CONECT   33   34  107   27                                            
CONECT   34   33   35   37  108                                       
CONECT   35   34   36   36   41                                       
CONECT   36   35   35                                                 
CONECT   37   34   38  109  110                                       
CONECT   38   37   39  111  112                                       
CONECT   39   38   40   41  113                                       
CONECT   40   39  114                                                 
CONECT   41   35   39   42                                            
CONECT   42   41   43   46  115                                       
CONECT   43   42   44   45  116                                       
CONECT   44   43  117  118  119                                       
CONECT   45   43  120                                                 
CONECT   46   42   47   47   48                                       
CONECT   47   46   46                                                 
CONECT   48   49   50   46                                            
CONECT   49   48  121  122  123                                       
CONECT   50   48   51   60  124                                       
CONECT   51   50   52  125  126                                       
CONECT   52   51   53   53   59                                       
CONECT   53   52   52   54  127                                       
CONECT   54   53   55   56   56                                       
CONECT   55   54                                                      
CONECT   56   54   54   57   58                                       
CONECT   57   56  128                                                 
CONECT   58   56   59   59  129                                       
CONECT   59   52   58   58  130                                       
CONECT   60   50   61   61   62                                       
CONECT   61   60   60                                                 
CONECT   62   63  131   60                                            
CONECT   63   62   64   66  132                                       
CONECT   64   63   65   65   23                                       
CONECT   65   64   64                                                 
CONECT   66   63   67   68  133                                       
CONECT   67   66  134  135  136                                       
CONECT   68   66  137  138  139                                       
CONECT   69    1                                                      
CONECT   70    1                                                      
CONECT   71    1                                                      
CONECT   72    2                                                      
CONECT   73    2                                                      
CONECT   74    3                                                      
CONECT   75    3                                                      
CONECT   76    4                                                      
CONECT   77    5                                                      
CONECT   78    6                                                      
CONECT   79    7                                                      
CONECT   80   10                                                      
CONECT   81   10                                                      
CONECT   82   10                                                      
CONECT   83   11                                                      
CONECT   84   12                                                      
CONECT   85   15                                                      
CONECT   86   16                                                      
CONECT   87   17                                                      
CONECT   88   17                                                      
CONECT   89   17                                                      
CONECT   90   18                                                      
CONECT   91   19                                                      
CONECT   92   22                                                      
CONECT   93   24                                                      
CONECT   94   24                                                      
CONECT   95   24                                                      
CONECT   96   25                                                      
CONECT   97   26                                                      
CONECT   98   29                                                      
CONECT   99   29                                                      
CONECT  100   30                                                      
CONECT  101   31                                                      
CONECT  102   31                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   32                                                      
CONECT  106   32                                                      
CONECT  107   33                                                      
CONECT  108   34                                                      
CONECT  109   37                                                      
CONECT  110   37                                                      
CONECT  111   38                                                      
CONECT  112   38                                                      
CONECT  113   39                                                      
CONECT  114   40                                                      
CONECT  115   42                                                      
CONECT  116   43                                                      
CONECT  117   44                                                      
CONECT  118   44                                                      
CONECT  119   44                                                      
CONECT  120   45                                                      
CONECT  121   49                                                      
CONECT  122   49                                                      
CONECT  123   49                                                      
CONECT  124   50                                                      
CONECT  125   51                                                      
CONECT  126   51                                                      
CONECT  127   53                                                      
CONECT  128   57                                                      
CONECT  129   58                                                      
CONECT  130   59                                                      
CONECT  131   62                                                      
CONECT  132   63                                                      
CONECT  133   66                                                      
CONECT  134   67                                                      
CONECT  135   67                                                      
CONECT  136   67                                                      
CONECT  137   68                                                      
CONECT  138   68                                                      
CONECT  139   68                                                      
MASTER        0    0    0    0    0    0    0    0  139    0  139    0
END
