COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -20.069   5.123  -3.245  1.00  0.00           C  
HETATM    2  C   UNL     1     -19.236   3.915  -2.812  1.00  0.00           C  
HETATM    3  C   UNL     1     -17.780   4.344  -2.614  1.00  0.00           C  
HETATM    4  C   UNL     1     -16.947   3.136  -2.182  1.00  0.00           C  
HETATM    5  C   UNL     1     -15.492   3.565  -1.984  1.00  0.00           C  
HETATM    6  C   UNL     1     -14.658   2.357  -1.552  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.203   2.786  -1.354  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.369   1.578  -0.922  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.914   2.007  -0.724  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.081   0.799  -0.291  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.625   1.227  -0.094  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.792   0.019   0.339  1.00  0.00           C  
HETATM   13 BR   UNL     1      -8.398  -0.596   2.105  1.00  0.00          Br  
HETATM   14  C   UNL     1      -6.317   0.419   0.416  1.00  0.00           C  
HETATM   15 BR   UNL     1      -6.098   1.868   1.726  1.00  0.00          Br  
HETATM   16  C   UNL     1      -5.484  -0.789   0.848  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.998  -0.426   0.805  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.165  -1.634   1.238  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.679  -1.270   1.195  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.858  -2.460   1.620  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.405  -3.493   1.927  1.00  0.00           O  
HETATM   22  O   UNL     1       0.481  -2.373   1.659  1.00  0.00           O  
HETATM   23  C   UNL     1       1.272  -3.519   2.070  1.00  0.00           C  
HETATM   24  C   UNL     1       1.618  -4.365   0.843  1.00  0.00           C  
HETATM   25  O   UNL     1       2.465  -3.614  -0.030  1.00  0.00           O  
HETATM   26  P   UNL     1       2.788  -4.560  -1.292  1.00  0.00           P  
HETATM   27  O   UNL     1       3.360  -5.839  -0.816  1.00  0.00           O  
HETATM   28  O   UNL     1       1.430  -4.849  -2.107  1.00  0.00           O  
HETATM   29  O   UNL     1       3.847  -3.824  -2.257  1.00  0.00           O  
HETATM   30  C   UNL     1       4.181  -4.755  -3.288  1.00  0.00           C  
HETATM   31  C   UNL     1       5.190  -4.115  -4.245  1.00  0.00           C  
HETATM   32  N   UNL     1       6.459  -3.891  -3.540  1.00  0.00           N1+
HETATM   33  C   UNL     1       6.919  -5.154  -2.947  1.00  0.00           C  
HETATM   34  C   UNL     1       7.467  -3.402  -4.490  1.00  0.00           C  
HETATM   35  C   UNL     1       6.262  -2.895  -2.479  1.00  0.00           C  
HETATM   36  C   UNL     1       2.561  -3.036   2.737  1.00  0.00           C  
HETATM   37  O   UNL     1       3.378  -2.335   1.762  1.00  0.00           O  
HETATM   38  C   UNL     1       4.563  -1.821   2.126  1.00  0.00           C  
HETATM   39  O   UNL     1       4.950  -1.941   3.264  1.00  0.00           O  
HETATM   40  C   UNL     1       5.410  -1.093   1.114  1.00  0.00           C  
HETATM   41  C   UNL     1       6.700  -0.611   1.782  1.00  0.00           C  
HETATM   42  C   UNL     1       7.560   0.128   0.755  1.00  0.00           C  
HETATM   43  C   UNL     1       8.850   0.610   1.422  1.00  0.00           C  
HETATM   44  C   UNL     1       9.710   1.349   0.395  1.00  0.00           C  
HETATM   45  C   UNL     1      11.000   1.832   1.062  1.00  0.00           C  
HETATM   46  C   UNL     1      11.860   2.570   0.035  1.00  0.00           C  
HETATM   47  C   UNL     1      13.149   3.053   0.703  1.00  0.00           C  
HETATM   48  C   UNL     1      14.010   3.791  -0.324  1.00  0.00           C  
HETATM   49  C   UNL     1      15.299   4.274   0.343  1.00  0.00           C  
HETATM   50  C   UNL     1      16.160   5.013  -0.684  1.00  0.00           C  
HETATM   51  C   UNL     1      17.449   5.495  -0.016  1.00  0.00           C  
HETATM   52  C   UNL     1      18.309   6.234  -1.043  1.00  0.00           C  
HETATM   53  C   UNL     1      19.599   6.716  -0.376  1.00  0.00           C  
HETATM   54  C   UNL     1      20.459   7.455  -1.403  1.00  0.00           C  
HETATM   55  H   UNL     1     -20.019   5.894  -2.475  1.00  0.00           H  
HETATM   56  H   UNL     1     -19.676   5.519  -4.181  1.00  0.00           H  
HETATM   57  H   UNL     1     -21.106   4.818  -3.386  1.00  0.00           H  
HETATM   58  H   UNL     1     -19.286   3.145  -3.582  1.00  0.00           H  
HETATM   59  H   UNL     1     -19.628   3.519  -1.876  1.00  0.00           H  
HETATM   60  H   UNL     1     -17.730   5.114  -1.845  1.00  0.00           H  
HETATM   61  H   UNL     1     -17.388   4.740  -3.551  1.00  0.00           H  
HETATM   62  H   UNL     1     -16.997   2.366  -2.952  1.00  0.00           H  
HETATM   63  H   UNL     1     -17.339   2.740  -1.246  1.00  0.00           H  
HETATM   64  H   UNL     1     -15.441   4.335  -1.215  1.00  0.00           H  
HETATM   65  H   UNL     1     -15.099   3.961  -2.921  1.00  0.00           H  
HETATM   66  H   UNL     1     -14.708   1.587  -2.321  1.00  0.00           H  
HETATM   67  H   UNL     1     -15.051   1.961  -0.615  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.153   3.556  -0.585  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.810   3.182  -2.291  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.420   0.807  -1.691  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.762   1.182   0.015  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.864   2.777   0.046  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.521   2.402  -1.660  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.131   0.028  -1.061  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.473   0.403   0.645  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.575   1.998   0.676  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.233   1.623  -1.030  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.913  -0.784  -0.387  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.981   0.760  -0.563  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.674  -1.623   0.172  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.758  -1.076   1.864  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.808   0.408   1.482  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.723  -0.139  -0.210  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.355  -2.467   0.561  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.439  -1.920   2.253  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.489  -0.437   1.871  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.404  -0.984   0.179  1.00  0.00           H  
HETATM   88  H   UNL     1       0.700  -4.121   2.776  1.00  0.00           H  
HETATM   89  H   UNL     1       2.135  -5.271   1.160  1.00  0.00           H  
HETATM   90  H   UNL     1       0.702  -4.635   0.317  1.00  0.00           H  
HETATM   91  H   UNL     1       1.091  -3.992  -2.399  1.00  0.00           H  
HETATM   92  H   UNL     1       4.619  -5.648  -2.843  1.00  0.00           H  
HETATM   93  H   UNL     1       3.281  -5.027  -3.838  1.00  0.00           H  
HETATM   94  H   UNL     1       5.357  -4.778  -5.093  1.00  0.00           H  
HETATM   95  H   UNL     1       4.799  -3.161  -4.600  1.00  0.00           H  
HETATM   96  H   UNL     1       7.065  -5.894  -3.734  1.00  0.00           H  
HETATM   97  H   UNL     1       7.861  -4.988  -2.424  1.00  0.00           H  
HETATM   98  H   UNL     1       6.171  -5.518  -2.242  1.00  0.00           H  
HETATM   99  H   UNL     1       7.126  -2.465  -4.931  1.00  0.00           H  
HETATM  100  H   UNL     1       8.409  -3.236  -3.968  1.00  0.00           H  
HETATM  101  H   UNL     1       7.613  -4.141  -5.278  1.00  0.00           H  
HETATM  102  H   UNL     1       5.668  -3.332  -1.676  1.00  0.00           H  
HETATM  103  H   UNL     1       7.230  -2.585  -2.087  1.00  0.00           H  
HETATM  104  H   UNL     1       5.740  -2.029  -2.887  1.00  0.00           H  
HETATM  105  H   UNL     1       3.112  -3.893   3.124  1.00  0.00           H  
HETATM  106  H   UNL     1       2.315  -2.362   3.557  1.00  0.00           H  
HETATM  107  H   UNL     1       4.859  -0.237   0.727  1.00  0.00           H  
HETATM  108  H   UNL     1       5.656  -1.768   0.294  1.00  0.00           H  
HETATM  109  H   UNL     1       7.251  -1.468   2.169  1.00  0.00           H  
HETATM  110  H   UNL     1       6.454   0.064   2.602  1.00  0.00           H  
HETATM  111  H   UNL     1       7.009   0.985   0.368  1.00  0.00           H  
HETATM  112  H   UNL     1       7.806  -0.547  -0.066  1.00  0.00           H  
HETATM  113  H   UNL     1       9.401  -0.247   1.809  1.00  0.00           H  
HETATM  114  H   UNL     1       8.604   1.285   2.242  1.00  0.00           H  
HETATM  115  H   UNL     1       9.159   2.206   0.008  1.00  0.00           H  
HETATM  116  H   UNL     1       9.956   0.675  -0.425  1.00  0.00           H  
HETATM  117  H   UNL     1      11.551   0.975   1.449  1.00  0.00           H  
HETATM  118  H   UNL     1      10.754   2.506   1.883  1.00  0.00           H  
HETATM  119  H   UNL     1      11.308   3.427  -0.352  1.00  0.00           H  
HETATM  120  H   UNL     1      12.106   1.896  -0.785  1.00  0.00           H  
HETATM  121  H   UNL     1      13.701   2.196   1.090  1.00  0.00           H  
HETATM  122  H   UNL     1      12.903   3.727   1.523  1.00  0.00           H  
HETATM  123  H   UNL     1      13.458   4.648  -0.711  1.00  0.00           H  
HETATM  124  H   UNL     1      14.256   3.117  -1.144  1.00  0.00           H  
HETATM  125  H   UNL     1      15.851   3.417   0.730  1.00  0.00           H  
HETATM  126  H   UNL     1      15.053   4.948   1.164  1.00  0.00           H  
HETATM  127  H   UNL     1      15.608   5.870  -1.071  1.00  0.00           H  
HETATM  128  H   UNL     1      16.406   4.338  -1.504  1.00  0.00           H  
HETATM  129  H   UNL     1      18.000   4.638   0.371  1.00  0.00           H  
HETATM  130  H   UNL     1      17.203   6.170   0.804  1.00  0.00           H  
HETATM  131  H   UNL     1      17.758   7.091  -1.430  1.00  0.00           H  
HETATM  132  H   UNL     1      18.555   5.559  -1.863  1.00  0.00           H  
HETATM  133  H   UNL     1      20.150   5.860   0.011  1.00  0.00           H  
HETATM  134  H   UNL     1      19.353   7.391   0.445  1.00  0.00           H  
HETATM  135  H   UNL     1      21.378   7.799  -0.927  1.00  0.00           H  
HETATM  136  H   UNL     1      20.705   6.781  -2.223  1.00  0.00           H  
HETATM  137  H   UNL     1      19.908   8.312  -1.790  1.00  0.00           H  
CONECT    1    2   55   56   57                                       
CONECT    2    1    3   58   59                                       
CONECT    3    2    4   60   61                                       
CONECT    4    3    5   62   63                                       
CONECT    5    4    6   64   65                                       
CONECT    6    5    7   66   67                                       
CONECT    7    6    8   68   69                                       
CONECT    8    7    9   70   71                                       
CONECT    9    8   10   72   73                                       
CONECT   10    9   11   74   75                                       
CONECT   11   10   12   76   77                                       
CONECT   12   11   13   14   78                                       
CONECT   13   12                                                      
CONECT   14   12   15   16   79                                       
CONECT   15   14                                                      
CONECT   16   14   17   80   81                                       
CONECT   17   16   18   82   83                                       
CONECT   18   17   19   84   85                                       
CONECT   19   18   20   86   87                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24   36   88                                       
CONECT   24   23   25   89   90                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   26   29                                                      
CONECT   27   26   26                                                 
CONECT   28   26   91                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   92   93                                       
CONECT   31   30   32   94   95                                       
CONECT   32   31   33   34   35                                       
CONECT   33   32   96   97   98                                       
CONECT   34   32   99  100  101                                       
CONECT   35   32  102  103  104                                       
CONECT   36   23   37  105  106                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41  107  108                                       
CONECT   41   40   42  109  110                                       
CONECT   42   41   43  111  112                                       
CONECT   43   42   44  113  114                                       
CONECT   44   43   45  115  116                                       
CONECT   45   44   46  117  118                                       
CONECT   46   45   47  119  120                                       
CONECT   47   46   48  121  122                                       
CONECT   48   47   49  123  124                                       
CONECT   49   48   50  125  126                                       
CONECT   50   49   51  127  128                                       
CONECT   51   50   52  129  130                                       
CONECT   52   51   53  131  132                                       
CONECT   53   52   54  133  134                                       
CONECT   54   53  135  136  137                                       
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    5                                                      
CONECT   66    6                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69    7                                                      
CONECT   70    8                                                      
CONECT   71    8                                                      
CONECT   72    9                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   11                                                      
CONECT   78   12                                                      
CONECT   79   14                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   17                                                      
CONECT   83   17                                                      
CONECT   84   18                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   19                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   24                                                      
CONECT   91   28                                                      
CONECT   92   30                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   31                                                      
CONECT   96   33                                                      
CONECT   97   33                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   34                                                      
CONECT  101   34                                                      
CONECT  102   35                                                      
CONECT  103   35                                                      
CONECT  104   35                                                      
CONECT  105   36                                                      
CONECT  106   36                                                      
CONECT  107   40                                                      
CONECT  108   40                                                      
CONECT  109   41                                                      
CONECT  110   41                                                      
CONECT  111   42                                                      
CONECT  112   42                                                      
CONECT  113   43                                                      
CONECT  114   43                                                      
CONECT  115   44                                                      
CONECT  116   44                                                      
CONECT  117   45                                                      
CONECT  118   45                                                      
CONECT  119   46                                                      
CONECT  120   46                                                      
CONECT  121   47                                                      
CONECT  122   47                                                      
CONECT  123   48                                                      
CONECT  124   48                                                      
CONECT  125   49                                                      
CONECT  126   49                                                      
CONECT  127   50                                                      
CONECT  128   50                                                      
CONECT  129   51                                                      
CONECT  130   51                                                      
CONECT  131   52                                                      
CONECT  132   52                                                      
CONECT  133   53                                                      
CONECT  134   53                                                      
CONECT  135   54                                                      
CONECT  136   54                                                      
CONECT  137   54                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
