COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1      -6.351   6.957  -0.181  1.00  0.00           C  
HETATM    2  N   UNK     1      -5.360   6.415   0.582  1.00  0.00           N  
HETATM    3  C   UNK     1      17.972  -6.166   5.745  1.00  0.00           C  
HETATM    4  C   UNK     1      16.907  -5.345   5.014  1.00  0.00           C  
HETATM    5  C   UNK     1      16.442  -6.106   3.770  1.00  0.00           C  
HETATM    6  C   UNK     1      14.913  -6.046   1.795  1.00  0.00           C  
HETATM    7  C   UNK     1      13.384  -5.986  -0.179  1.00  0.00           C  
HETATM    8  C   UNK     1      11.861  -5.914  -2.136  1.00  0.00           C  
HETATM    9  C   UNK     1       5.016   3.050  -1.517  1.00  0.00           C  
HETATM   10  C   UNK     1       6.133   4.032  -1.878  1.00  0.00           C  
HETATM   11  C   UNK     1       7.418   3.275  -2.093  1.00  0.00           C  
HETATM   12  C   UNK     1      -7.415   6.193  -0.525  1.00  0.00           C  
HETATM   13  C   UNK     1      -7.464   4.854  -0.087  1.00  0.00           C  
HETATM   14  C   UNK     1      -5.439   5.135   0.989  1.00  0.00           C  
HETATM   15  C   UNK     1       0.364   0.734  -2.225  1.00  0.00           C  
HETATM   16  C   UNK     1      15.378  -5.285   3.039  1.00  0.00           C  
HETATM   17  C   UNK     1      13.848  -5.225   1.064  1.00  0.00           C  
HETATM   18  C   UNK     1      12.319  -5.165  -0.911  1.00  0.00           C  
HETATM   19  C   UNK     1      10.585  -6.144  -2.324  1.00  0.00           C  
HETATM   20  C   UNK     1       9.564  -5.515  -1.412  1.00  0.00           C  
HETATM   21  C   UNK     1       8.527  -4.763  -2.250  1.00  0.00           C  
HETATM   22  C   UNK     1       7.490  -4.124  -1.324  1.00  0.00           C  
HETATM   23  C   UNK     1       6.454  -3.372  -2.161  1.00  0.00           C  
HETATM   24  C   UNK     1       5.416  -2.733  -1.235  1.00  0.00           C  
HETATM   25  C   UNK     1       4.380  -1.981  -2.073  1.00  0.00           C  
HETATM   26  C   UNK     1       3.343  -1.342  -1.147  1.00  0.00           C  
HETATM   27  C   UNK     1       2.322  -0.601  -1.972  1.00  0.00           C  
HETATM   28  C   UNK     1      -0.710   1.401  -1.364  1.00  0.00           C  
HETATM   29  C   UNK     1     -13.988 -13.867   1.955  1.00  0.00           C  
HETATM   30  C   UNK     1     -13.007 -12.873   1.330  1.00  0.00           C  
HETATM   31  C   UNK     1     -13.656 -11.489   1.264  1.00  0.00           C  
HETATM   32  C   UNK     1     -12.675 -10.495   0.639  1.00  0.00           C  
HETATM   33  C   UNK     1     -13.324  -9.111   0.573  1.00  0.00           C  
HETATM   34  C   UNK     1     -12.343  -8.116  -0.052  1.00  0.00           C  
HETATM   35  C   UNK     1     -12.992  -6.733  -0.117  1.00  0.00           C  
HETATM   36  C   UNK     1     -12.011  -5.739  -0.742  1.00  0.00           C  
HETATM   37  C   UNK     1     -12.650  -4.375  -0.807  1.00  0.00           C  
HETATM   38  C   UNK     1     -12.031  -3.337  -0.304  1.00  0.00           C  
HETATM   39  C   UNK     1     -10.615  -3.473   0.194  1.00  0.00           C  
HETATM   40  C   UNK     1      -9.739  -2.402  -0.459  1.00  0.00           C  
HETATM   41  C   UNK     1      -8.302  -2.539   0.046  1.00  0.00           C  
HETATM   42  C   UNK     1      -7.426  -1.469  -0.607  1.00  0.00           C  
HETATM   43  C   UNK     1      -5.989  -1.607  -0.101  1.00  0.00           C  
HETATM   44  C   UNK     1      -5.113  -0.536  -0.755  1.00  0.00           C  
HETATM   45  C   UNK     1      -3.676  -0.674  -0.249  1.00  0.00           C  
HETATM   46  C   UNK     1      -2.808   0.364  -0.914  1.00  0.00           C  
HETATM   47  C   UNK     1      -0.043   2.312  -0.331  1.00  0.00           C  
HETATM   48  C   UNK     1      -4.204   7.231   0.962  1.00  0.00           C  
HETATM   49  C   UNK     1      -4.165   7.443   2.497  1.00  0.00           C  
HETATM   50  C   UNK     1      -2.663   7.716   2.749  1.00  0.00           C  
HETATM   51  C   UNK     1      -1.958   7.119   1.515  1.00  0.00           C  
HETATM   52  C   UNK     1      -0.956   6.049   1.955  1.00  0.00           C  
HETATM   53  N   UNK     1       5.775   4.749  -3.109  1.00  0.00           N  
HETATM   54  N   UNK     1      -8.533   4.056  -0.422  1.00  0.00           N  
HETATM   55  N   UNK     1      -6.474   4.368   0.651  1.00  0.00           N  
HETATM   56  O   UNK     1       8.150   2.882  -1.039  1.00  0.00           O  
HETATM   57  O   UNK     1       7.789   3.022  -3.215  1.00  0.00           O  
HETATM   58  O   UNK     1      -4.543   4.666   1.672  1.00  0.00           O  
HETATM   59  O   UNK     1       0.519   3.293   1.593  1.00  0.00           O  
HETATM   60  O   UNK     1       3.494   2.370   0.757  1.00  0.00           O  
HETATM   61  O   UNK     1       2.414  -0.586  -3.176  1.00  0.00           O  
HETATM   62  O   UNK     1       1.310   0.041  -1.368  1.00  0.00           O  
HETATM   63  O   UNK     1      -3.302   1.179  -1.656  1.00  0.00           O  
HETATM   64  O   UNK     1      -1.486   0.382  -0.681  1.00  0.00           O  
HETATM   65  O   UNK     1       1.260   1.811  -0.025  1.00  0.00           O  
HETATM   66  O   UNK     1       1.516   4.171  -0.553  1.00  0.00           O  
HETATM   67  O   UNK     1       2.621   1.839  -2.041  1.00  0.00           O  
HETATM   68  O   UNK     1       2.178   5.186   1.780  1.00  0.00           O  
HETATM   69  O   UNK     1      -0.237   5.572   0.816  1.00  0.00           O  
HETATM   70  O   UNK     1      -2.974   6.526   0.688  1.00  0.00           O  
HETATM   71  O   UNK     1      -4.960   8.568   2.876  1.00  0.00           O  
HETATM   72  O   UNK     1      -2.418   9.121   2.836  1.00  0.00           O  
HETATM   73  O   UNK     1       3.827   3.776  -1.199  1.00  0.00           O  
HETATM   74  P   UNK     1       0.984   4.528   0.923  1.00  0.00           P  
HETATM   75  P   UNK     1       2.544   2.793  -0.612  1.00  0.00           P  
HETATM   76  H   UNK     1      -6.290   7.986  -0.504  1.00  0.00           H  
HETATM   77  H   UNK     1      18.821  -6.332   5.082  1.00  0.00           H  
HETATM   78  H   UNK     1      18.303  -5.624   6.631  1.00  0.00           H  
HETATM   79  H   UNK     1      17.550  -7.126   6.042  1.00  0.00           H  
HETATM   80  H   UNK     1      16.058  -5.179   5.676  1.00  0.00           H  
HETATM   81  H   UNK     1      17.329  -4.385   4.716  1.00  0.00           H  
HETATM   82  H   UNK     1      17.292  -6.272   3.107  1.00  0.00           H  
HETATM   83  H   UNK     1      16.020  -7.066   4.068  1.00  0.00           H  
HETATM   84  H   UNK     1      15.762  -6.212   1.133  1.00  0.00           H  
HETATM   85  H   UNK     1      14.491  -7.006   2.093  1.00  0.00           H  
HETATM   86  H   UNK     1      14.233  -6.152  -0.842  1.00  0.00           H  
HETATM   87  H   UNK     1      12.962  -6.946   0.118  1.00  0.00           H  
HETATM   88  H   UNK     1      12.585  -6.262  -2.858  1.00  0.00           H  
HETATM   89  H   UNK     1       4.825   2.391  -2.364  1.00  0.00           H  
HETATM   90  H   UNK     1       5.320   2.455  -0.656  1.00  0.00           H  
HETATM   91  H   UNK     1       6.264   4.747  -1.066  1.00  0.00           H  
HETATM   92  H   UNK     1      -8.213   6.604  -1.126  1.00  0.00           H  
HETATM   93  H   UNK     1      -0.105   0.019  -2.901  1.00  0.00           H  
HETATM   94  H   UNK     1       0.888   1.493  -2.806  1.00  0.00           H  
HETATM   95  H   UNK     1      14.529  -5.119   3.702  1.00  0.00           H  
HETATM   96  H   UNK     1      15.800  -4.326   2.741  1.00  0.00           H  
HETATM   97  H   UNK     1      12.999  -5.059   1.727  1.00  0.00           H  
HETATM   98  H   UNK     1      14.270  -4.266   0.766  1.00  0.00           H  
HETATM   99  H   UNK     1      11.470  -4.999  -0.248  1.00  0.00           H  
HETATM  100  H   UNK     1      12.741  -4.205  -1.208  1.00  0.00           H  
HETATM  101  H   UNK     1      10.266  -6.785  -3.133  1.00  0.00           H  
HETATM  102  H   UNK     1       9.067  -6.292  -0.832  1.00  0.00           H  
HETATM  103  H   UNK     1      10.060  -4.818  -0.737  1.00  0.00           H  
HETATM  104  H   UNK     1       9.024  -3.985  -2.830  1.00  0.00           H  
HETATM  105  H   UNK     1       8.031  -5.460  -2.925  1.00  0.00           H  
HETATM  106  H   UNK     1       6.993  -4.902  -0.743  1.00  0.00           H  
HETATM  107  H   UNK     1       7.986  -3.427  -0.648  1.00  0.00           H  
HETATM  108  H   UNK     1       6.950  -2.594  -2.741  1.00  0.00           H  
HETATM  109  H   UNK     1       5.957  -4.069  -2.837  1.00  0.00           H  
HETATM  110  H   UNK     1       4.920  -3.511  -0.655  1.00  0.00           H  
HETATM  111  H   UNK     1       5.912  -2.036  -0.560  1.00  0.00           H  
HETATM  112  H   UNK     1       4.877  -1.204  -2.653  1.00  0.00           H  
HETATM  113  H   UNK     1       3.884  -2.678  -2.748  1.00  0.00           H  
HETATM  114  H   UNK     1       2.846  -2.120  -0.567  1.00  0.00           H  
HETATM  115  H   UNK     1       3.839  -0.645  -0.471  1.00  0.00           H  
HETATM  116  H   UNK     1      -1.368   1.994  -2.000  1.00  0.00           H  
HETATM  117  H   UNK     1     -14.247 -13.538   2.961  1.00  0.00           H  
HETATM  118  H   UNK     1     -14.891 -13.917   1.346  1.00  0.00           H  
HETATM  119  H   UNK     1     -13.526 -14.853   2.001  1.00  0.00           H  
HETATM  120  H   UNK     1     -12.104 -12.822   1.938  1.00  0.00           H  
HETATM  121  H   UNK     1     -12.749 -13.201   0.323  1.00  0.00           H  
HETATM  122  H   UNK     1     -14.559 -11.539   0.655  1.00  0.00           H  
HETATM  123  H   UNK     1     -13.915 -11.160   2.271  1.00  0.00           H  
HETATM  124  H   UNK     1     -11.772 -10.444   1.247  1.00  0.00           H  
HETATM  125  H   UNK     1     -12.417 -10.823  -0.368  1.00  0.00           H  
HETATM  126  H   UNK     1     -14.227  -9.161  -0.035  1.00  0.00           H  
HETATM  127  H   UNK     1     -13.583  -8.782   1.580  1.00  0.00           H  
HETATM  128  H   UNK     1     -11.440  -8.066   0.557  1.00  0.00           H  
HETATM  129  H   UNK     1     -12.085  -8.445  -1.058  1.00  0.00           H  
HETATM  130  H   UNK     1     -13.895  -6.783  -0.726  1.00  0.00           H  
HETATM  131  H   UNK     1     -13.250  -6.404   0.889  1.00  0.00           H  
HETATM  132  H   UNK     1     -11.108  -5.688  -0.134  1.00  0.00           H  
HETATM  133  H   UNK     1     -11.753  -6.067  -1.749  1.00  0.00           H  
HETATM  134  H   UNK     1     -13.619  -4.255  -1.268  1.00  0.00           H  
HETATM  135  H   UNK     1     -12.534  -2.383  -0.246  1.00  0.00           H  
HETATM  136  H   UNK     1     -10.597  -3.346   1.277  1.00  0.00           H  
HETATM  137  H   UNK     1     -10.233  -4.461  -0.062  1.00  0.00           H  
HETATM  138  H   UNK     1      -9.757  -2.529  -1.542  1.00  0.00           H  
HETATM  139  H   UNK     1     -10.121  -1.413  -0.203  1.00  0.00           H  
HETATM  140  H   UNK     1      -8.284  -2.413   1.129  1.00  0.00           H  
HETATM  141  H   UNK     1      -7.920  -3.528  -0.210  1.00  0.00           H  
HETATM  142  H   UNK     1      -7.444  -1.596  -1.690  1.00  0.00           H  
HETATM  143  H   UNK     1      -7.808  -0.481  -0.351  1.00  0.00           H  
HETATM  144  H   UNK     1      -5.971  -1.480   0.981  1.00  0.00           H  
HETATM  145  H   UNK     1      -5.607  -2.595  -0.358  1.00  0.00           H  
HETATM  146  H   UNK     1      -5.131  -0.663  -1.838  1.00  0.00           H  
HETATM  147  H   UNK     1      -5.495   0.452  -0.499  1.00  0.00           H  
HETATM  148  H   UNK     1      -3.655  -0.527   0.831  1.00  0.00           H  
HETATM  149  H   UNK     1      -3.300  -1.669  -0.489  1.00  0.00           H  
HETATM  150  H   UNK     1       0.042   3.320  -0.737  1.00  0.00           H  
HETATM  151  H   UNK     1      -0.646   2.335   0.576  1.00  0.00           H  
HETATM  152  H   UNK     1      -4.224   8.189   0.442  1.00  0.00           H  
HETATM  153  H   UNK     1      -4.491   6.545   3.022  1.00  0.00           H  
HETATM  154  H   UNK     1      -2.331   7.214   3.658  1.00  0.00           H  
HETATM  155  H   UNK     1      -1.444   7.906   0.964  1.00  0.00           H  
HETATM  156  H   UNK     1      -0.257   6.479   2.672  1.00  0.00           H  
HETATM  157  H   UNK     1      -1.490   5.221   2.421  1.00  0.00           H  
HETATM  158  H   UNK     1       6.465   5.450  -3.333  1.00  0.00           H  
HETATM  159  H   UNK     1       5.647   4.108  -3.877  1.00  0.00           H  
HETATM  160  H   UNK     1      -9.255   4.414  -0.962  1.00  0.00           H  
HETATM  161  H   UNK     1      -8.565   3.135  -0.119  1.00  0.00           H  
HETATM  162  H   UNK     1       8.967   2.400  -1.227  1.00  0.00           H  
HETATM  163  H   UNK     1       4.366   2.787   0.775  1.00  0.00           H  
HETATM  164  H   UNK     1       3.204   2.199  -2.724  1.00  0.00           H  
HETATM  165  H   UNK     1       2.532   6.001   1.399  1.00  0.00           H  
HETATM  166  H   UNK     1      -4.967   8.742   3.827  1.00  0.00           H  
HETATM  167  H   UNK     1      -2.884   9.557   3.562  1.00  0.00           H  
CONECT    1    2   12   12   76                                       
CONECT    2   48    1   14                                            
CONECT    3    4   77   78   79                                       
CONECT    4    5    3   80   81                                       
CONECT    5   16    4   82   83                                       
CONECT    6   17   16   84   85                                       
CONECT    7   18   17   86   87                                       
CONECT    8   18   19   19   88                                       
CONECT    9   73   10   89   90                                       
CONECT   10    9   11   53   91                                       
CONECT   11   10   57   57   56                                       
CONECT   12    1    1   13   92                                       
CONECT   13   12   55   55   54                                       
CONECT   14    2   58   58   55                                       
CONECT   15   62   28   93   94                                       
CONECT   16    6    5   95   96                                       
CONECT   17    7    6   97   98                                       
CONECT   18    8    7   99  100                                       
CONECT   19    8    8   20  101                                       
CONECT   20   19   21  102  103                                       
CONECT   21   22   20  104  105                                       
CONECT   22   23   21  106  107                                       
CONECT   23   22   24  108  109                                       
CONECT   24   23   25  110  111                                       
CONECT   25   24   26  112  113                                       
CONECT   26   25   27  114  115                                       
CONECT   27   26   61   61   62                                       
CONECT   28   64   15   47  116                                       
CONECT   29   30  117  118  119                                       
CONECT   30   31   29  120  121                                       
CONECT   31   30   32  122  123                                       
CONECT   32   31   33  124  125                                       
CONECT   33   32   34  126  127                                       
CONECT   34   33   35  128  129                                       
CONECT   35   34   36  130  131                                       
CONECT   36   35   37  132  133                                       
CONECT   37   36   38   38  134                                       
CONECT   38   37   37   39  135                                       
CONECT   39   38   40  136  137                                       
CONECT   40   39   41  138  139                                       
CONECT   41   40   42  140  141                                       
CONECT   42   41   43  142  143                                       
CONECT   43   42   44  144  145                                       
CONECT   44   43   45  146  147                                       
CONECT   45   44   46  148  149                                       
CONECT   46   63   63   45   64                                       
CONECT   47   65   28  150  151                                       
CONECT   48   70   49    2  152                                       
CONECT   49   71   50   48  153                                       
CONECT   50   51   72   49  154                                       
CONECT   51   52   70   50  155                                       
CONECT   52   69   51  156  157                                       
CONECT   53   10  158  159                                            
CONECT   54   13  160  161                                            
CONECT   55   14   13   13                                            
CONECT   56   11  162                                                 
CONECT   57   11   11                                                 
CONECT   58   14   14                                                 
CONECT   59   74   74                                                 
CONECT   60   75  163                                                 
CONECT   61   27   27                                                 
CONECT   62   27   15                                                 
CONECT   63   46   46                                                 
CONECT   64   46   28                                                 
CONECT   65   75   47                                                 
CONECT   66   74   75                                                 
CONECT   67   75  164                                                 
CONECT   68   74  165                                                 
CONECT   69   74   52                                                 
CONECT   70   51   48                                                 
CONECT   71   49  166                                                 
CONECT   72   50  167                                                 
CONECT   73   75    9                                                 
CONECT   74   59   59   66   69                                       
CONECT   74   68                                                      
CONECT   75   66   65   67   73                                       
CONECT   75   60                                                      
CONECT   76    1                                                      
CONECT   77    3                                                      
CONECT   78    3                                                      
CONECT   79    3                                                      
CONECT   80    4                                                      
CONECT   81    4                                                      
CONECT   82    5                                                      
CONECT   83    5                                                      
CONECT   84    6                                                      
CONECT   85    6                                                      
CONECT   86    7                                                      
CONECT   87    7                                                      
CONECT   88    8                                                      
CONECT   89    9                                                      
CONECT   90    9                                                      
CONECT   91   10                                                      
CONECT   92   12                                                      
CONECT   93   15                                                      
CONECT   94   15                                                      
CONECT   95   16                                                      
CONECT   96   16                                                      
CONECT   97   17                                                      
CONECT   98   17                                                      
CONECT   99   18                                                      
CONECT  100   18                                                      
CONECT  101   19                                                      
CONECT  102   20                                                      
CONECT  103   20                                                      
CONECT  104   21                                                      
CONECT  105   21                                                      
CONECT  106   22                                                      
CONECT  107   22                                                      
CONECT  108   23                                                      
CONECT  109   23                                                      
CONECT  110   24                                                      
CONECT  111   24                                                      
CONECT  112   25                                                      
CONECT  113   25                                                      
CONECT  114   26                                                      
CONECT  115   26                                                      
CONECT  116   28                                                      
CONECT  117   29                                                      
CONECT  118   29                                                      
CONECT  119   29                                                      
CONECT  120   30                                                      
CONECT  121   30                                                      
CONECT  122   31                                                      
CONECT  123   31                                                      
CONECT  124   32                                                      
CONECT  125   32                                                      
CONECT  126   33                                                      
CONECT  127   33                                                      
CONECT  128   34                                                      
CONECT  129   34                                                      
CONECT  130   35                                                      
CONECT  131   35                                                      
CONECT  132   36                                                      
CONECT  133   36                                                      
CONECT  134   37                                                      
CONECT  135   38                                                      
CONECT  136   39                                                      
CONECT  137   39                                                      
CONECT  138   40                                                      
CONECT  139   40                                                      
CONECT  140   41                                                      
CONECT  141   41                                                      
CONECT  142   42                                                      
CONECT  143   42                                                      
CONECT  144   43                                                      
CONECT  145   43                                                      
CONECT  146   44                                                      
CONECT  147   44                                                      
CONECT  148   45                                                      
CONECT  149   45                                                      
CONECT  150   47                                                      
CONECT  151   47                                                      
CONECT  152   48                                                      
CONECT  153   49                                                      
CONECT  154   50                                                      
CONECT  155   51                                                      
CONECT  156   52                                                      
CONECT  157   52                                                      
CONECT  158   53                                                      
CONECT  159   53                                                      
CONECT  160   54                                                      
CONECT  161   54                                                      
CONECT  162   56                                                      
CONECT  163   60                                                      
CONECT  164   67                                                      
CONECT  165   68                                                      
CONECT  166   71                                                      
CONECT  167   72                                                      
MASTER        0    0    0    0    0    0    0    0  167    0  167    0
END
