COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.797  -3.808   1.431  1.00  0.00           C  
HETATM    2  C   UNL     1       8.717  -3.727  -0.095  1.00  0.00           C  
HETATM    3  C   UNL     1       9.670  -4.725  -0.702  1.00  0.00           C  
HETATM    4  C   UNL     1       5.610   0.232  -3.994  1.00  0.00           C  
HETATM    5  C   UNL     1       7.080  -0.145  -3.801  1.00  0.00           C  
HETATM    6  C   UNL     1       6.461  -1.549  -1.829  1.00  0.00           C  
HETATM    7  C   UNL     1       2.892  -1.820  -1.062  1.00  0.00           C  
HETATM    8  C   UNL     1       1.261  -2.612   0.564  1.00  0.00           C  
HETATM    9  C   UNL     1       1.911  -0.936   2.336  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.960  -5.081   0.688  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.953  -5.128   2.221  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.529  -4.937   2.695  1.00  0.00           C  
HETATM   13  C   UNL     1       9.538   0.382  -1.640  1.00  0.00           C  
HETATM   14  O   UNL     1       9.553   1.408  -2.634  1.00  0.00           O  
HETATM   15  C   UNL     1      10.972  -0.063  -1.344  1.00  0.00           C  
HETATM   16  C   UNL     1       6.399  -3.117  -0.017  1.00  0.00           C  
HETATM   17  C   UNL     1       4.991  -1.172  -2.022  1.00  0.00           C  
HETATM   18  C   UNL     1       4.721  -0.914  -3.506  1.00  0.00           C  
HETATM   19  C   UNL     1       2.019  -3.044  -0.711  1.00  0.00           C  
HETATM   20  C   UNL     1       1.767  -1.177   0.832  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.805  -3.814   0.737  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.249  -3.805   0.227  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.956  -1.718  -0.243  1.00  0.00           C  
HETATM   24  C   UNL     1       6.386  -3.173   1.513  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.995  -5.747   3.593  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.788  -5.898   1.384  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.821  -1.885  -1.512  1.00  0.00           C  
HETATM   28  C   UNL     1       7.963   2.542  -0.683  1.00  0.00           C  
HETATM   29  C   UNL     1       7.784  -2.834   2.040  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.672  -0.535  -2.249  1.00  0.00           C  
HETATM   31  C   UNL     1       7.264   3.212   0.501  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.430  -3.694   1.265  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.735   0.288  -1.337  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.226  -3.876   2.409  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.158   1.759  -1.327  1.00  0.00           C  
HETATM   36  C   UNL     1       5.920   5.115   1.160  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.242  -5.146   3.011  1.00  0.00           C  
HETATM   38  C   UNL     1       4.577   5.665   0.676  1.00  0.00           C  
HETATM   39  C   UNL     1       3.810   6.255   1.861  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.448  -1.809   1.790  1.00  0.00           C  
HETATM   41  C   UNL     1       7.350  -0.403  -2.317  1.00  0.00           C  
HETATM   42  C   UNL     1       1.674   7.352   2.274  1.00  0.00           C  
HETATM   43  C   UNL     1       0.320   7.825   1.812  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.602   6.619   1.617  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.006   7.104   1.250  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.057   5.738   0.491  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.664   5.810   2.914  1.00  0.00           C  
HETATM   48  N   UNL     1      -1.705  -6.872   4.030  1.00  0.00           N  
HETATM   49  N   UNL     1      -7.518  -6.115   2.463  1.00  0.00           N  
HETATM   50  N   UNL     1       5.415  -2.200   2.031  1.00  0.00           N  
HETATM   51  N   UNL     1      -2.951  -2.631   0.764  1.00  0.00           N  
HETATM   52  N   UNL     1      -6.735  -4.723   0.792  1.00  0.00           N  
HETATM   53  N   UNL     1       6.603   4.443   0.047  1.00  0.00           N  
HETATM   54  N   UNL     1       9.226  -5.651  -1.465  1.00  0.00           N  
HETATM   55  N   UNL     1      -9.004  -5.383   4.142  1.00  0.00           N  
HETATM   56  N   UNL     1       5.351   0.479  -5.419  1.00  0.00           N  
HETATM   57  N   UNL     1      -8.820  -2.687   2.675  1.00  0.00           N  
HETATM   58  N   UNL     1       2.524   6.781   1.398  1.00  0.00           N  
HETATM   59  N   UNL     1       8.761  -0.764  -2.131  1.00  0.00           N  
HETATM   60  N   UNL     1      -7.590  -2.382   0.898  1.00  0.00           N  
HETATM   61  O   UNL     1       6.713  -1.789  -0.443  1.00  0.00           O  
HETATM   62  O   UNL     1       4.161  -2.242  -1.566  1.00  0.00           O  
HETATM   63  O   UNL     1       3.348  -0.562  -3.686  1.00  0.00           O  
HETATM   64  O   UNL     1       1.099  -3.324  -1.769  1.00  0.00           O  
HETATM   65  O   UNL     1       3.057  -1.113   0.186  1.00  0.00           O  
HETATM   66  O   UNL     1       2.267   0.429   2.568  1.00  0.00           O  
HETATM   67  O   UNL     1      -0.149  -2.611   0.333  1.00  0.00           O  
HETATM   68  O   UNL     1      -7.662   4.425   0.515  1.00  0.00           O  
HETATM   69  O   UNL     1      -2.278  -6.225   0.171  1.00  0.00           O  
HETATM   70  O   UNL     1      -3.778  -4.082   2.739  1.00  0.00           O  
HETATM   71  O   UNL     1      -0.810  -3.900   2.166  1.00  0.00           O  
HETATM   72  O   UNL     1      -6.449   4.784  -1.669  1.00  0.00           O  
HETATM   73  O   UNL     1      -7.323  -2.954  -2.320  1.00  0.00           O  
HETATM   74  O   UNL     1       7.800  -2.955   3.464  1.00  0.00           O  
HETATM   75  O   UNL     1      -5.045   4.655   0.424  1.00  0.00           O  
HETATM   76  O   UNL     1      -7.078  -0.728  -3.534  1.00  0.00           O  
HETATM   77  O   UNL     1      10.115  -3.458   1.859  1.00  0.00           O  
HETATM   78  O   UNL     1      -4.547   6.925  -0.561  1.00  0.00           O  
HETATM   79  O   UNL     1      -6.893  -0.292  -0.024  1.00  0.00           O  
HETATM   80  O   UNL     1       7.384  -4.023  -0.517  1.00  0.00           O  
HETATM   81  O   UNL     1      -5.215   6.843   1.872  1.00  0.00           O  
HETATM   82  O   UNL     1      -6.213   2.521  -0.575  1.00  0.00           O  
HETATM   83  O   UNL     1       6.731   6.190   1.638  1.00  0.00           O  
HETATM   84  O   UNL     1      -2.866   5.978   1.068  1.00  0.00           O  
HETATM   85  O   UNL     1      -9.136  -0.917  -4.984  1.00  0.00           O  
HETATM   86  O   UNL     1      -7.950   1.311  -4.945  1.00  0.00           O  
HETATM   87  O   UNL     1      -6.905  -0.775  -6.157  1.00  0.00           O  
HETATM   88  O   UNL     1       1.999   7.486   3.435  1.00  0.00           O  
HETATM   89  O   UNL     1      -0.241   8.699   2.794  1.00  0.00           O  
HETATM   90  P   UNL     1      -6.345   4.111  -0.355  1.00  0.00           P  
HETATM   91  P   UNL     1      -4.421   6.118   0.674  1.00  0.00           P  
HETATM   92  P   UNL     1      -7.797  -0.291  -4.906  1.00  0.00           P  
HETATM   93  S   UNL     1       8.779   1.021  -0.122  1.00  0.00           S  
HETATM   94  H   UNL     1       8.567  -4.823   1.755  1.00  0.00           H  
HETATM   95  H   UNL     1       8.987  -2.723  -0.421  1.00  0.00           H  
HETATM   96  H   UNL     1      10.727  -4.659  -0.493  1.00  0.00           H  
HETATM   97  H   UNL     1       5.388   1.133  -3.422  1.00  0.00           H  
HETATM   98  H   UNL     1       7.303  -1.046  -4.372  1.00  0.00           H  
HETATM   99  H   UNL     1       7.713   0.672  -4.148  1.00  0.00           H  
HETATM  100  H   UNL     1       6.684  -2.450  -2.400  1.00  0.00           H  
HETATM  101  H   UNL     1       2.385  -1.188  -1.792  1.00  0.00           H  
HETATM  102  H   UNL     1       1.510  -3.267   1.399  1.00  0.00           H  
HETATM  103  H   UNL     1       0.966  -1.154   2.832  1.00  0.00           H  
HETATM  104  H   UNL     1       2.689  -1.587   2.735  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.989  -5.076   0.328  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.328  -6.093   2.561  1.00  0.00           H  
HETATM  107  H   UNL     1       8.690   1.814  -2.793  1.00  0.00           H  
HETATM  108  H   UNL     1      11.429  -0.447  -2.257  1.00  0.00           H  
HETATM  109  H   UNL     1      11.549   0.787  -0.980  1.00  0.00           H  
HETATM  110  H   UNL     1      10.961  -0.846  -0.586  1.00  0.00           H  
HETATM  111  H   UNL     1       5.418  -3.399  -0.400  1.00  0.00           H  
HETATM  112  H   UNL     1       4.769  -0.271  -1.450  1.00  0.00           H  
HETATM  113  H   UNL     1       4.944  -1.815  -4.077  1.00  0.00           H  
HETATM  114  H   UNL     1       2.644  -3.914  -0.507  1.00  0.00           H  
HETATM  115  H   UNL     1       1.086  -0.447   0.396  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.278  -4.673   0.322  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.249  -3.762  -0.863  1.00  0.00           H  
HETATM  118  H   UNL     1      -5.956  -2.120  -0.410  1.00  0.00           H  
HETATM  119  H   UNL     1       6.107  -4.175   1.838  1.00  0.00           H  
HETATM  120  H   UNL     1      -0.012  -5.541   3.990  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.210  -6.713   0.974  1.00  0.00           H  
HETATM  122  H   UNL     1      -8.862  -2.061  -1.244  1.00  0.00           H  
HETATM  123  H   UNL     1       7.227   2.298  -1.449  1.00  0.00           H  
HETATM  124  H   UNL     1       8.708   3.221  -1.097  1.00  0.00           H  
HETATM  125  H   UNL     1       8.043  -1.814   1.757  1.00  0.00           H  
HETATM  126  H   UNL     1      -8.641  -0.045  -2.346  1.00  0.00           H  
HETATM  127  H   UNL     1       6.519   2.532   0.916  1.00  0.00           H  
HETATM  128  H   UNL     1       8.000   3.455   1.268  1.00  0.00           H  
HETATM  129  H   UNL     1      -5.701   0.194  -1.671  1.00  0.00           H  
HETATM  130  H   UNL     1      -7.195   2.133  -2.351  1.00  0.00           H  
HETATM  131  H   UNL     1      -8.144   1.850  -0.872  1.00  0.00           H  
HETATM  132  H   UNL     1       5.751   4.402   1.967  1.00  0.00           H  
HETATM  133  H   UNL     1       4.749   6.443  -0.068  1.00  0.00           H  
HETATM  134  H   UNL     1       3.993   4.859   0.231  1.00  0.00           H  
HETATM  135  H   UNL     1       3.637   5.477   2.605  1.00  0.00           H  
HETATM  136  H   UNL     1       4.393   7.061   2.307  1.00  0.00           H  
HETATM  137  H   UNL     1      -8.771  -0.779   1.765  1.00  0.00           H  
HETATM  138  H   UNL     1       7.127   0.498  -1.745  1.00  0.00           H  
HETATM  139  H   UNL     1       0.424   8.359   0.868  1.00  0.00           H  
HETATM  140  H   UNL     1      -2.394   7.732   2.052  1.00  0.00           H  
HETATM  141  H   UNL     1      -1.961   7.681   0.326  1.00  0.00           H  
HETATM  142  H   UNL     1       0.887   5.290   0.804  1.00  0.00           H  
HETATM  143  H   UNL     1      -0.776   4.950   0.266  1.00  0.00           H  
HETATM  144  H   UNL     1       0.108   6.345  -0.399  1.00  0.00           H  
HETATM  145  H   UNL     1      -1.053   6.438   3.716  1.00  0.00           H  
HETATM  146  H   UNL     1      -1.321   4.951   2.774  1.00  0.00           H  
HETATM  147  H   UNL     1       0.336   5.464   3.175  1.00  0.00           H  
HETATM  148  H   UNL     1      -2.541  -7.114   3.602  1.00  0.00           H  
HETATM  149  H   UNL     1      -1.360  -7.410   4.759  1.00  0.00           H  
HETATM  150  H   UNL     1       4.486  -2.401   1.693  1.00  0.00           H  
HETATM  151  H   UNL     1       5.435  -2.173   3.040  1.00  0.00           H  
HETATM  152  H   UNL     1      -2.500  -1.776   0.474  1.00  0.00           H  
HETATM  153  H   UNL     1      -3.923  -2.637   0.494  1.00  0.00           H  
HETATM  154  H   UNL     1       7.262   5.063  -0.400  1.00  0.00           H  
HETATM  155  H   UNL     1       9.839  -6.293  -1.856  1.00  0.00           H  
HETATM  156  H   UNL     1      -9.012  -6.266   4.544  1.00  0.00           H  
HETATM  157  H   UNL     1      -9.529  -4.667   4.533  1.00  0.00           H  
HETATM  158  H   UNL     1       5.926   1.233  -5.765  1.00  0.00           H  
HETATM  159  H   UNL     1       5.488  -0.359  -5.962  1.00  0.00           H  
HETATM  160  H   UNL     1       2.284   6.719   0.460  1.00  0.00           H  
HETATM  161  H   UNL     1       8.854  -1.556  -1.512  1.00  0.00           H  
HETATM  162  H   UNL     1       3.105  -0.384  -4.605  1.00  0.00           H  
HETATM  163  H   UNL     1       1.523  -3.542  -2.610  1.00  0.00           H  
HETATM  164  H   UNL     1       2.376   0.654   3.502  1.00  0.00           H  
HETATM  165  H   UNL     1      -7.662   4.015   1.391  1.00  0.00           H  
HETATM  166  H   UNL     1      -2.672  -7.069   0.432  1.00  0.00           H  
HETATM  167  H   UNL     1      -3.818  -4.054   3.705  1.00  0.00           H  
HETATM  168  H   UNL     1      -7.337  -3.816  -1.883  1.00  0.00           H  
HETATM  169  H   UNL     1       8.656  -2.755   3.866  1.00  0.00           H  
HETATM  170  H   UNL     1      10.808  -4.033   1.508  1.00  0.00           H  
HETATM  171  H   UNL     1      -5.176   6.368   2.713  1.00  0.00           H  
HETATM  172  H   UNL     1       6.922   6.865   0.971  1.00  0.00           H  
HETATM  173  H   UNL     1      -7.110   1.788  -4.898  1.00  0.00           H  
HETATM  174  H   UNL     1      -7.279  -0.545  -7.019  1.00  0.00           H  
HETATM  175  H   UNL     1      -0.362   8.289   3.662  1.00  0.00           H  
CONECT    1    2   29   77   94                                       
CONECT    2   80    3    1   95                                       
CONECT    3   54   54    2   96                                       
CONECT    4   56    5   18   97                                       
CONECT    5    4   41   98   99                                       
CONECT    6   41   17   61  100                                       
CONECT    7   62   19   65  101                                       
CONECT    8   19   20   67  102                                       
CONECT    9   20   66  103  104                                       
CONECT   10   22   69   11  105                                       
CONECT   11   10   12   70  106                                       
CONECT   12   71   11   25   25                                       
CONECT   13   14   59   15   93                                       
CONECT   14   13  107                                                 
CONECT   15   13  108  109  110                                       
CONECT   16   61   80   24  111                                       
CONECT   17   18    6   62  112                                       
CONECT   18    4   63   17  113                                       
CONECT   19   64    7    8  114                                       
CONECT   20   65    8    9  115                                       
CONECT   21   67   71   22  116                                       
CONECT   22   21   51   10  117                                       
CONECT   23   60   79   27  118                                       
CONECT   24   16   50   29  119                                       
CONECT   25   12   12   48  120                                       
CONECT   26   49   52   52  121                                       
CONECT   27   23   30   73  122                                       
CONECT   28   31   93  123  124                                       
CONECT   29   24    1   74  125                                       
CONECT   30   27   33   76  126                                       
CONECT   31   28   53  127  128                                       
CONECT   32   34   34   52   60                                       
CONECT   33   79   35   30  129                                       
CONECT   34   37   57   32   32                                       
CONECT   35   82   33  130  131                                       
CONECT   36   83   53   38  132                                       
CONECT   37   55   49   49   34                                       
CONECT   38   36   39  133  134                                       
CONECT   39   38   58  135  136                                       
CONECT   40   57   57   60  137                                       
CONECT   41    5   59    6  138                                       
CONECT   42   58   88   88   43                                       
CONECT   43   42   44   89  139                                       
CONECT   44   46   43   47   45                                       
CONECT   45   44   84  140  141                                       
CONECT   46   44  142  143  144                                       
CONECT   47   44  145  146  147                                       
CONECT   48   25  148  149                                            
CONECT   49   37   37   26                                            
CONECT   50   24  150  151                                            
CONECT   51   22  152  153                                            
CONECT   52   26   26   32                                            
CONECT   53   31   36  154                                            
CONECT   54    3    3  155                                            
CONECT   55   37  156  157                                            
CONECT   56    4  158  159                                            
CONECT   57   34   40   40                                            
CONECT   58   39   42  160                                            
CONECT   59   41   13  161                                            
CONECT   60   32   40   23                                            
CONECT   61    6   16                                                 
CONECT   62   17    7                                                 
CONECT   63   18  162                                                 
CONECT   64   19  163                                                 
CONECT   65    7   20                                                 
CONECT   66    9  164                                                 
CONECT   67    8   21                                                 
CONECT   68   90  165                                                 
CONECT   69   10  166                                                 
CONECT   70   11  167                                                 
CONECT   71   21   12                                                 
CONECT   72   90   90                                                 
CONECT   73   27  168                                                 
CONECT   74   29  169                                                 
CONECT   75   90   91                                                 
CONECT   76   30   92                                                 
CONECT   77    1  170                                                 
CONECT   78   91   91                                                 
CONECT   79   23   33                                                 
CONECT   80   16    2                                                 
CONECT   81   91  171                                                 
CONECT   82   90   35                                                 
CONECT   83   36  172                                                 
CONECT   84   91   45                                                 
CONECT   85   92   92                                                 
CONECT   86   92  173                                                 
CONECT   87   92  174                                                 
CONECT   88   42   42                                                 
CONECT   89   43  175                                                 
CONECT   90   72   72   68   82                                       
CONECT   90   75                                                      
CONECT   91   75   78   78   84                                       
CONECT   91   81                                                      
CONECT   92   85   85   76   86                                       
CONECT   92   87                                                      
CONECT   93   28   13                                                 
CONECT   94    1                                                      
CONECT   95    2                                                      
CONECT   96    3                                                      
CONECT   97    4                                                      
CONECT   98    5                                                      
CONECT   99    5                                                      
CONECT  100    6                                                      
CONECT  101    7                                                      
CONECT  102    8                                                      
CONECT  103    9                                                      
CONECT  104    9                                                      
CONECT  105   10                                                      
CONECT  106   11                                                      
CONECT  107   14                                                      
CONECT  108   15                                                      
CONECT  109   15                                                      
CONECT  110   15                                                      
CONECT  111   16                                                      
CONECT  112   17                                                      
CONECT  113   18                                                      
CONECT  114   19                                                      
CONECT  115   20                                                      
CONECT  116   21                                                      
CONECT  117   22                                                      
CONECT  118   23                                                      
CONECT  119   24                                                      
CONECT  120   25                                                      
CONECT  121   26                                                      
CONECT  122   27                                                      
CONECT  123   28                                                      
CONECT  124   28                                                      
CONECT  125   29                                                      
CONECT  126   30                                                      
CONECT  127   31                                                      
CONECT  128   31                                                      
CONECT  129   33                                                      
CONECT  130   35                                                      
CONECT  131   35                                                      
CONECT  132   36                                                      
CONECT  133   38                                                      
CONECT  134   38                                                      
CONECT  135   39                                                      
CONECT  136   39                                                      
CONECT  137   40                                                      
CONECT  138   41                                                      
CONECT  139   43                                                      
CONECT  140   45                                                      
CONECT  141   45                                                      
CONECT  142   46                                                      
CONECT  143   46                                                      
CONECT  144   46                                                      
CONECT  145   47                                                      
CONECT  146   47                                                      
CONECT  147   47                                                      
CONECT  148   48                                                      
CONECT  149   48                                                      
CONECT  150   50                                                      
CONECT  151   50                                                      
CONECT  152   51                                                      
CONECT  153   51                                                      
CONECT  154   53                                                      
CONECT  155   54                                                      
CONECT  156   55                                                      
CONECT  157   55                                                      
CONECT  158   56                                                      
CONECT  159   56                                                      
CONECT  160   58                                                      
CONECT  161   59                                                      
CONECT  162   63                                                      
CONECT  163   64                                                      
CONECT  164   66                                                      
CONECT  165   68                                                      
CONECT  166   69                                                      
CONECT  167   70                                                      
CONECT  168   73                                                      
CONECT  169   74                                                      
CONECT  170   77                                                      
CONECT  171   81                                                      
CONECT  172   83                                                      
CONECT  173   86                                                      
CONECT  174   87                                                      
CONECT  175   89                                                      
MASTER        0    0    0    0    0    0    0    0  175    0  175    0
END
