COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -21.899   6.348  -0.475  1.00  0.00           C  
HETATM    2  C   UNL     1     -21.141   5.043  -0.231  1.00  0.00           C  
HETATM    3  C   UNL     1     -19.635   5.305  -0.307  1.00  0.00           C  
HETATM    4  C   UNL     1     -18.876   4.000  -0.062  1.00  0.00           C  
HETATM    5  C   UNL     1     -17.371   4.262  -0.138  1.00  0.00           C  
HETATM    6  C   UNL     1     -16.612   2.956   0.106  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.107   3.219   0.030  1.00  0.00           C  
HETATM    8  C   UNL     1     -14.348   1.913   0.275  1.00  0.00           C  
HETATM    9  C   UNL     1     -12.843   2.176   0.199  1.00  0.00           C  
HETATM   10 BR   UNL     1     -12.364   2.722  -1.629  1.00  0.00          Br  
HETATM   11  C   UNL     1     -12.083   0.900   0.565  1.00  0.00           C  
HETATM   12 BR   UNL     1     -12.563  -0.533  -0.693  1.00  0.00          Br  
HETATM   13  C   UNL     1     -10.578   1.163   0.489  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.819  -0.074   0.975  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.314   0.189   0.899  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.555  -1.047   1.386  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.050  -0.784   1.309  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.291  -2.021   1.796  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.785  -1.758   1.719  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.038  -2.976   2.198  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.647  -3.954   2.563  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.696  -2.974   2.220  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.976  -4.148   2.681  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.701  -5.076   1.496  1.00  0.00           C  
HETATM   25  O   UNL     1       0.182  -4.427   0.578  1.00  0.00           O  
HETATM   26  P   UNL     1       0.426  -5.455  -0.637  1.00  0.00           P  
HETATM   27  O   UNL     1       1.205  -6.755  -0.092  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.877  -5.864  -1.207  1.00  0.00           O  
HETATM   29  O   UNL     1       1.310  -4.739  -1.776  1.00  0.00           O  
HETATM   30  C   UNL     1       1.392  -5.654  -2.871  1.00  0.00           C  
HETATM   31  C   UNL     1       2.223  -5.031  -3.995  1.00  0.00           C  
HETATM   32  N   UNL     1       3.615  -4.881  -3.549  1.00  0.00           N1+
HETATM   33  C   UNL     1       4.122  -6.179  -3.081  1.00  0.00           C  
HETATM   34  C   UNL     1       4.440  -4.409  -4.669  1.00  0.00           C  
HETATM   35  C   UNL     1       3.676  -3.907  -2.451  1.00  0.00           C  
HETATM   36  C   UNL     1       0.351  -3.717   3.310  1.00  0.00           C  
HETATM   37  O   UNL     1       1.198  -3.122   2.293  1.00  0.00           O  
HETATM   38  C   UNL     1       2.419  -2.668   2.618  1.00  0.00           C  
HETATM   39  O   UNL     1       2.813  -2.755   3.757  1.00  0.00           O  
HETATM   40  C   UNL     1       3.299  -2.050   1.562  1.00  0.00           C  
HETATM   41  C   UNL     1       4.626  -1.620   2.191  1.00  0.00           C  
HETATM   42  C   UNL     1       5.519  -0.992   1.119  1.00  0.00           C  
HETATM   43  C   UNL     1       6.845  -0.562   1.748  1.00  0.00           C  
HETATM   44  C   UNL     1       7.738   0.066   0.676  1.00  0.00           C  
HETATM   45  C   UNL     1       9.065   0.496   1.305  1.00  0.00           C  
HETATM   46  C   UNL     1       9.958   1.124   0.233  1.00  0.00           C  
HETATM   47  C   UNL     1      11.285   1.554   0.862  1.00  0.00           C  
HETATM   48 BR   UNL     1      10.956   2.986   2.169  1.00  0.00          Br  
HETATM   49  C   UNL     1      12.225   2.067  -0.230  1.00  0.00           C  
HETATM   50 BR   UNL     1      12.553   0.635  -1.537  1.00  0.00          Br  
HETATM   51  C   UNL     1      13.551   2.497   0.399  1.00  0.00           C  
HETATM   52  C   UNL     1      14.445   3.125  -0.673  1.00  0.00           C  
HETATM   53  C   UNL     1      15.771   3.555  -0.044  1.00  0.00           C  
HETATM   54  C   UNL     1      16.664   4.183  -1.116  1.00  0.00           C  
HETATM   55  C   UNL     1      17.991   4.613  -0.487  1.00  0.00           C  
HETATM   56  C   UNL     1      18.884   5.241  -1.559  1.00  0.00           C  
HETATM   57  C   UNL     1      20.210   5.671  -0.930  1.00  0.00           C  
HETATM   58  C   UNL     1      21.104   6.299  -2.002  1.00  0.00           C  
HETATM   59  H   UNL     1     -21.619   7.079   0.284  1.00  0.00           H  
HETATM   60  H   UNL     1     -21.648   6.736  -1.462  1.00  0.00           H  
HETATM   61  H   UNL     1     -22.972   6.161  -0.421  1.00  0.00           H  
HETATM   62  H   UNL     1     -21.421   4.312  -0.990  1.00  0.00           H  
HETATM   63  H   UNL     1     -21.392   4.655   0.757  1.00  0.00           H  
HETATM   64  H   UNL     1     -19.355   6.036   0.452  1.00  0.00           H  
HETATM   65  H   UNL     1     -19.383   5.693  -1.294  1.00  0.00           H  
HETATM   66  H   UNL     1     -19.157   3.269  -0.821  1.00  0.00           H  
HETATM   67  H   UNL     1     -19.128   3.612   0.925  1.00  0.00           H  
HETATM   68  H   UNL     1     -17.091   4.993   0.621  1.00  0.00           H  
HETATM   69  H   UNL     1     -17.119   4.650  -1.126  1.00  0.00           H  
HETATM   70  H   UNL     1     -16.892   2.226  -0.653  1.00  0.00           H  
HETATM   71  H   UNL     1     -16.864   2.569   1.094  1.00  0.00           H  
HETATM   72  H   UNL     1     -14.827   3.950   0.789  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.855   3.606  -0.957  1.00  0.00           H  
HETATM   74  H   UNL     1     -14.628   1.183  -0.484  1.00  0.00           H  
HETATM   75  H   UNL     1     -14.600   1.526   1.262  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.577   2.971   0.896  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.349   0.598   1.578  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.326   2.015   1.120  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.298   1.378  -0.542  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.071  -0.926   0.345  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.099  -0.289   2.007  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.061   1.042   1.530  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.034   0.405  -0.132  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.807  -1.900   0.755  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.834  -1.263   2.417  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.797   0.068   1.940  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.770  -0.569   0.278  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.543  -2.873   1.165  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.570  -2.236   2.827  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.533  -0.905   2.350  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.506  -1.542   0.688  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.576  -4.674   3.423  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.240  -5.996   1.855  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.639  -5.311   0.994  1.00  0.00           H  
HETATM   95  H   UNL     1       2.046  -6.445   0.270  1.00  0.00           H  
HETATM   96  H   UNL     1       1.866  -6.577  -2.538  1.00  0.00           H  
HETATM   97  H   UNL     1       0.389  -5.871  -3.239  1.00  0.00           H  
HETATM   98  H   UNL     1       2.190  -5.677  -4.872  1.00  0.00           H  
HETATM   99  H   UNL     1       1.816  -4.052  -4.248  1.00  0.00           H  
HETATM  100  H   UNL     1       4.077  -6.901  -3.896  1.00  0.00           H  
HETATM  101  H   UNL     1       5.154  -6.068  -2.750  1.00  0.00           H  
HETATM  102  H   UNL     1       3.510  -6.529  -2.250  1.00  0.00           H  
HETATM  103  H   UNL     1       4.064  -3.446  -5.016  1.00  0.00           H  
HETATM  104  H   UNL     1       5.473  -4.298  -4.338  1.00  0.00           H  
HETATM  105  H   UNL     1       4.395  -5.131  -5.484  1.00  0.00           H  
HETATM  106  H   UNL     1       3.230  -4.341  -1.555  1.00  0.00           H  
HETATM  107  H   UNL     1       4.716  -3.649  -2.251  1.00  0.00           H  
HETATM  108  H   UNL     1       3.126  -3.009  -2.731  1.00  0.00           H  
HETATM  109  H   UNL     1       0.850  -4.587   3.736  1.00  0.00           H  
HETATM  110  H   UNL     1       0.160  -2.987   4.097  1.00  0.00           H  
HETATM  111  H   UNL     1       2.799  -1.180   1.136  1.00  0.00           H  
HETATM  112  H   UNL     1       3.490  -2.780   0.775  1.00  0.00           H  
HETATM  113  H   UNL     1       5.125  -2.490   2.616  1.00  0.00           H  
HETATM  114  H   UNL     1       4.435  -0.890   2.978  1.00  0.00           H  
HETATM  115  H   UNL     1       5.019  -0.122   0.693  1.00  0.00           H  
HETATM  116  H   UNL     1       5.710  -1.722   0.332  1.00  0.00           H  
HETATM  117  H   UNL     1       7.345  -1.432   2.174  1.00  0.00           H  
HETATM  118  H   UNL     1       6.654   0.168   2.535  1.00  0.00           H  
HETATM  119  H   UNL     1       7.239   0.936   0.251  1.00  0.00           H  
HETATM  120  H   UNL     1       7.929  -0.664  -0.111  1.00  0.00           H  
HETATM  121  H   UNL     1       9.565  -0.374   1.731  1.00  0.00           H  
HETATM  122  H   UNL     1       8.874   1.226   2.092  1.00  0.00           H  
HETATM  123  H   UNL     1       9.458   1.994  -0.192  1.00  0.00           H  
HETATM  124  H   UNL     1      10.149   0.394  -0.553  1.00  0.00           H  
HETATM  125  H   UNL     1      11.742   0.702   1.365  1.00  0.00           H  
HETATM  126  H   UNL     1      11.768   2.919  -0.733  1.00  0.00           H  
HETATM  127  H   UNL     1      14.051   1.627   0.824  1.00  0.00           H  
HETATM  128  H   UNL     1      13.360   3.227   1.186  1.00  0.00           H  
HETATM  129  H   UNL     1      13.945   3.995  -1.099  1.00  0.00           H  
HETATM  130  H   UNL     1      14.636   2.395  -1.460  1.00  0.00           H  
HETATM  131  H   UNL     1      16.271   2.685   0.382  1.00  0.00           H  
HETATM  132  H   UNL     1      15.580   4.285   0.743  1.00  0.00           H  
HETATM  133  H   UNL     1      16.165   5.053  -1.541  1.00  0.00           H  
HETATM  134  H   UNL     1      16.855   3.453  -1.903  1.00  0.00           H  
HETATM  135  H   UNL     1      18.490   3.743  -0.061  1.00  0.00           H  
HETATM  136  H   UNL     1      17.800   5.343   0.300  1.00  0.00           H  
HETATM  137  H   UNL     1      18.384   6.111  -1.984  1.00  0.00           H  
HETATM  138  H   UNL     1      19.075   4.511  -2.345  1.00  0.00           H  
HETATM  139  H   UNL     1      20.710   4.801  -0.504  1.00  0.00           H  
HETATM  140  H   UNL     1      20.020   6.401  -0.143  1.00  0.00           H  
HETATM  141  H   UNL     1      22.049   6.605  -1.553  1.00  0.00           H  
HETATM  142  H   UNL     1      21.295   5.569  -2.788  1.00  0.00           H  
HETATM  143  H   UNL     1      20.604   7.169  -2.427  1.00  0.00           H  
CONECT    1    2   59   60   61                                       
CONECT    2    1    3   62   63                                       
CONECT    3    2    4   64   65                                       
CONECT    4    3    5   66   67                                       
CONECT    5    4    6   68   69                                       
CONECT    6    5    7   70   71                                       
CONECT    7    6    8   72   73                                       
CONECT    8    7    9   74   75                                       
CONECT    9    8   10   11   76                                       
CONECT   10    9                                                      
CONECT   11    9   12   13   77                                       
CONECT   12   11                                                      
CONECT   13   11   14   78   79                                       
CONECT   14   13   15   80   81                                       
CONECT   15   14   16   82   83                                       
CONECT   16   15   17   84   85                                       
CONECT   17   16   18   86   87                                       
CONECT   18   17   19   88   89                                       
CONECT   19   18   20   90   91                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   22   24   36   92                                       
CONECT   24   23   25   93   94                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   28   28                                       
CONECT   26   29                                                      
CONECT   27   26   95                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   96   97                                       
CONECT   31   30   32   98   99                                       
CONECT   32   31   33   34   35                                       
CONECT   33   32  100  101  102                                       
CONECT   34   32  103  104  105                                       
CONECT   35   32  106  107  108                                       
CONECT   36   23   37  109  110                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41  111  112                                       
CONECT   41   40   42  113  114                                       
CONECT   42   41   43  115  116                                       
CONECT   43   42   44  117  118                                       
CONECT   44   43   45  119  120                                       
CONECT   45   44   46  121  122                                       
CONECT   46   45   47  123  124                                       
CONECT   47   46   48   49  125                                       
CONECT   48   47                                                      
CONECT   49   47   50   51  126                                       
CONECT   50   49                                                      
CONECT   51   49   52  127  128                                       
CONECT   52   51   53  129  130                                       
CONECT   53   52   54  131  132                                       
CONECT   54   53   55  133  134                                       
CONECT   55   54   56  135  136                                       
CONECT   56   55   57  137  138                                       
CONECT   57   56   58  139  140                                       
CONECT   58   57  141  142  143                                       
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    2                                                      
CONECT   64    3                                                      
CONECT   65    3                                                      
CONECT   66    4                                                      
CONECT   67    4                                                      
CONECT   68    5                                                      
CONECT   69    5                                                      
CONECT   70    6                                                      
CONECT   71    6                                                      
CONECT   72    7                                                      
CONECT   73    7                                                      
CONECT   74    8                                                      
CONECT   75    8                                                      
CONECT   76    9                                                      
CONECT   77   11                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   16                                                      
CONECT   86   17                                                      
CONECT   87   17                                                      
CONECT   88   18                                                      
CONECT   89   18                                                      
CONECT   90   19                                                      
CONECT   91   19                                                      
CONECT   92   23                                                      
CONECT   93   24                                                      
CONECT   94   24                                                      
CONECT   95   27                                                      
CONECT   96   30                                                      
CONECT   97   30                                                      
CONECT   98   31                                                      
CONECT   99   31                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   34                                                      
CONECT  105   34                                                      
CONECT  106   35                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   36                                                      
CONECT  110   36                                                      
CONECT  111   40                                                      
CONECT  112   40                                                      
CONECT  113   41                                                      
CONECT  114   41                                                      
CONECT  115   42                                                      
CONECT  116   42                                                      
CONECT  117   43                                                      
CONECT  118   43                                                      
CONECT  119   44                                                      
CONECT  120   44                                                      
CONECT  121   45                                                      
CONECT  122   45                                                      
CONECT  123   46                                                      
CONECT  124   46                                                      
CONECT  125   47                                                      
CONECT  126   49                                                      
CONECT  127   51                                                      
CONECT  128   51                                                      
CONECT  129   52                                                      
CONECT  130   52                                                      
CONECT  131   53                                                      
CONECT  132   53                                                      
CONECT  133   54                                                      
CONECT  134   54                                                      
CONECT  135   55                                                      
CONECT  136   55                                                      
CONECT  137   56                                                      
CONECT  138   56                                                      
CONECT  139   57                                                      
CONECT  140   57                                                      
CONECT  141   58                                                      
CONECT  142   58                                                      
CONECT  143   58                                                      
MASTER        0    0    0    0    0    0    0    0  143    0  143    0
END
