COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.014  10.330   2.927  1.00  0.00           O  
HETATM    2  C   UNL     1       2.746  10.545   1.984  1.00  0.00           C  
HETATM    3  C   UNL     1       3.987   9.712   1.789  1.00  0.00           C  
HETATM    4  C   UNL     1       3.720   8.641   0.730  1.00  0.00           C  
HETATM    5  C   UNL     1       4.427   6.008  -2.684  1.00  0.00           C  
HETATM    6  O   UNL     1       3.914   4.996  -2.256  1.00  0.00           O  
HETATM    7  C   UNL     1       4.826   7.109  -1.737  1.00  0.00           C  
HETATM    8  C   UNL     1       4.622   6.640  -0.295  1.00  0.00           C  
HETATM    9  C   UNL     1       5.569   5.506   0.003  1.00  0.00           C  
HETATM   10  C   UNL     1       7.714   4.803   0.458  1.00  0.00           C  
HETATM   11  C   UNL     1       7.253   3.484   0.534  1.00  0.00           C  
HETATM   12  C   UNL     1       5.899   3.248   0.322  1.00  0.00           C  
HETATM   13  O   UNL     1       6.087   0.941   0.672  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.611  -1.227  -3.170  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.695  -2.102  -2.709  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.274  -1.999  -1.574  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.247  -3.089  -3.507  1.00  0.00           O  
HETATM   18  C   UNL     1       0.739  -3.994  -2.945  1.00  0.00           C  
HETATM   19  C   UNL     1       2.146  -3.453  -3.217  1.00  0.00           C  
HETATM   20  O   UNL     1       2.326  -3.277  -4.623  1.00  0.00           O  
HETATM   21  C   UNL     1       0.600  -5.373  -3.597  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.684  -5.920  -3.288  1.00  0.00           O  
HETATM   23  C   UNL     1       1.693  -6.298  -3.055  1.00  0.00           C  
HETATM   24  C   UNL     1       1.598  -7.660  -3.746  1.00  0.00           C  
HETATM   25  O   UNL     1       2.562  -8.550  -3.181  1.00  0.00           O  
HETATM   26  O   UNL     1       2.975  -5.721  -3.314  1.00  0.00           O  
HETATM   27  C   UNL     1       3.180  -4.452  -2.690  1.00  0.00           C  
HETATM   28  O   UNL     1       3.034  -4.588  -1.275  1.00  0.00           O  
HETATM   29  C   UNL     1       4.227  -4.313  -0.539  1.00  0.00           C  
HETATM   30  C   UNL     1       5.282  -5.378  -0.858  1.00  0.00           C  
HETATM   31  O   UNL     1       4.758  -6.674  -0.561  1.00  0.00           O  
HETATM   32  C   UNL     1       5.637  -5.297  -2.346  1.00  0.00           C  
HETATM   33  O   UNL     1       6.673  -6.237  -2.641  1.00  0.00           O  
HETATM   34  C   UNL     1       6.123  -3.882  -2.671  1.00  0.00           C  
HETATM   35  C   UNL     1       7.393  -3.583  -1.873  1.00  0.00           C  
HETATM   36  O   UNL     1       5.107  -2.940  -2.321  1.00  0.00           O  
HETATM   37  C   UNL     1       4.767  -2.936  -0.933  1.00  0.00           C  
HETATM   38  O   UNL     1       3.767  -1.945  -0.690  1.00  0.00           O  
HETATM   39  C   UNL     1       4.240  -0.601  -0.806  1.00  0.00           C  
HETATM   40  C   UNL     1       3.974  -0.093  -2.199  1.00  0.00           C  
HETATM   41  N   UNL     1       2.768   0.056  -2.767  1.00  0.00           N  
HETATM   42  C   UNL     1       2.916   0.518  -3.978  1.00  0.00           C  
HETATM   43  N   UNL     1       4.235   0.679  -4.222  1.00  0.00           N  
HETATM   44  C   UNL     1       4.905   0.296  -3.091  1.00  0.00           C  
HETATM   45  C   UNL     1       3.513   0.284   0.208  1.00  0.00           C  
HETATM   46  N   UNL     1       4.050   1.646   0.140  1.00  0.00           N  
HETATM   47  C   UNL     1       5.356   1.869   0.390  1.00  0.00           C  
HETATM   48  N   UNL     1       5.096   4.280   0.061  1.00  0.00           N  
HETATM   49  C   UNL     1       8.199   2.351   0.837  1.00  0.00           C  
HETATM   50  N   UNL     1       9.053   5.093   0.661  1.00  0.00           N  
HETATM   51  N   UNL     1       6.846   5.773   0.193  1.00  0.00           N  
HETATM   52  N   UNL     1       4.639   6.148  -4.008  1.00  0.00           N  
HETATM   53  N   UNL     1       4.888   7.755   0.625  1.00  0.00           N  
HETATM   54  N   UNL     1       4.348   9.066   3.058  1.00  0.00           N  
HETATM   55  N   UNL     1       2.448  11.525   1.109  1.00  0.00           N  
HETATM   56  C   UNL     1       3.717  -0.268   1.595  1.00  0.00           C  
HETATM   57  O   UNL     1       4.550   0.224   2.327  1.00  0.00           O  
HETATM   58  N   UNL     1       2.975  -1.308   2.023  1.00  0.00           N  
HETATM   59  C   UNL     1       3.174  -1.845   3.371  1.00  0.00           C  
HETATM   60  C   UNL     1       4.319  -2.859   3.353  1.00  0.00           C  
HETATM   61  C   UNL     1       5.624  -2.148   2.989  1.00  0.00           C  
HETATM   62  O   UNL     1       6.694  -3.095   2.972  1.00  0.00           O  
HETATM   63  C   UNL     1       1.890  -2.533   3.840  1.00  0.00           C  
HETATM   64  O   UNL     1       2.043  -2.953   5.198  1.00  0.00           O  
HETATM   65  C   UNL     1       0.719  -1.554   3.738  1.00  0.00           C  
HETATM   66  C   UNL     1       0.980  -0.350   4.646  1.00  0.00           C  
HETATM   67  C   UNL     1      -0.550  -2.242   4.168  1.00  0.00           C  
HETATM   68  O   UNL     1      -0.522  -3.401   4.523  1.00  0.00           O  
HETATM   69  N   UNL     1      -1.718  -1.569   4.160  1.00  0.00           N  
HETATM   70  C   UNL     1      -2.952  -2.237   4.579  1.00  0.00           C  
HETATM   71  C   UNL     1      -3.085  -2.157   6.101  1.00  0.00           C  
HETATM   72  C   UNL     1      -1.858  -2.796   6.755  1.00  0.00           C  
HETATM   73  C   UNL     1      -3.183  -0.690   6.527  1.00  0.00           C  
HETATM   74  O   UNL     1      -4.262  -2.853   6.514  1.00  0.00           O  
HETATM   75  C   UNL     1      -4.134  -1.560   3.935  1.00  0.00           C  
HETATM   76  O   UNL     1      -3.985  -0.510   3.346  1.00  0.00           O  
HETATM   77  N   UNL     1      -5.357  -2.120   4.013  1.00  0.00           N  
HETATM   78  C   UNL     1      -6.485  -1.521   3.296  1.00  0.00           C  
HETATM   79  C   UNL     1      -7.748  -2.345   3.550  1.00  0.00           C  
HETATM   80  C   UNL     1      -8.908  -1.729   2.812  1.00  0.00           C  
HETATM   81  N   UNL     1      -8.840  -0.682   2.089  1.00  0.00           N  
HETATM   82  S   UNL     1     -10.561  -2.356   2.816  1.00  0.00           S  
HETATM   83  C   UNL     1     -11.245  -1.063   1.729  1.00  0.00           C  
HETATM   84  C   UNL     1     -10.024  -0.181   1.426  1.00  0.00           C  
HETATM   85  C   UNL     1      -9.787  -0.163  -0.062  1.00  0.00           C  
HETATM   86  N   UNL     1     -10.117   0.803  -0.845  1.00  0.00           N  
HETATM   87  S   UNL     1      -9.035  -1.418  -0.943  1.00  0.00           S  
HETATM   88  C   UNL     1      -9.214  -0.547  -2.403  1.00  0.00           C  
HETATM   89  C   UNL     1      -9.821   0.631  -2.136  1.00  0.00           C  
HETATM   90  C   UNL     1     -10.127   1.631  -3.173  1.00  0.00           C  
HETATM   91  O   UNL     1      -9.832   1.415  -4.333  1.00  0.00           O  
HETATM   92  N   UNL     1     -10.734   2.786  -2.836  1.00  0.00           N  
HETATM   93  C   UNL     1     -11.039   3.782  -3.867  1.00  0.00           C  
HETATM   94  C   UNL     1     -11.722   4.990  -3.224  1.00  0.00           C  
HETATM   95  C   UNL     1     -12.035   6.014  -4.285  1.00  0.00           C  
HETATM   96  N   UNL     1     -11.721   5.784  -5.518  1.00  0.00           N  
HETATM   97  N   UNL     1     -12.652   7.188  -3.942  1.00  0.00           N  
HETATM   98  H   UNL     1       4.806  10.352   1.461  1.00  0.00           H  
HETATM   99  H   UNL     1       2.846   8.057   1.016  1.00  0.00           H  
HETATM  100  H   UNL     1       3.539   9.118  -0.233  1.00  0.00           H  
HETATM  101  H   UNL     1       5.875   7.360  -1.892  1.00  0.00           H  
HETATM  102  H   UNL     1       4.210   7.990  -1.923  1.00  0.00           H  
HETATM  103  H   UNL     1       3.595   6.300  -0.165  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.934  -0.515  -2.595  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.947  -1.309  -4.076  1.00  0.00           H  
HETATM  106  H   UNL     1       0.584  -4.081  -1.869  1.00  0.00           H  
HETATM  107  H   UNL     1       2.273  -2.496  -2.711  1.00  0.00           H  
HETATM  108  H   UNL     1       3.197  -2.936  -4.869  1.00  0.00           H  
HETATM  109  H   UNL     1       0.705  -5.278  -4.677  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.841  -6.794  -3.670  1.00  0.00           H  
HETATM  111  H   UNL     1       1.562  -6.426  -1.981  1.00  0.00           H  
HETATM  112  H   UNL     1       0.598  -8.070  -3.605  1.00  0.00           H  
HETATM  113  H   UNL     1       1.794  -7.541  -4.812  1.00  0.00           H  
HETATM  114  H   UNL     1       2.611  -9.409  -3.622  1.00  0.00           H  
HETATM  115  H   UNL     1       4.183  -4.092  -2.919  1.00  0.00           H  
HETATM  116  H   UNL     1       4.008  -4.327   0.529  1.00  0.00           H  
HETATM  117  H   UNL     1       6.174  -5.198  -0.259  1.00  0.00           H  
HETATM  118  H   UNL     1       5.402  -7.389  -0.655  1.00  0.00           H  
HETATM  119  H   UNL     1       4.756  -5.527  -2.944  1.00  0.00           H  
HETATM  120  H   UNL     1       6.949  -6.240  -3.568  1.00  0.00           H  
HETATM  121  H   UNL     1       6.337  -3.807  -3.737  1.00  0.00           H  
HETATM  122  H   UNL     1       8.168  -4.302  -2.139  1.00  0.00           H  
HETATM  123  H   UNL     1       7.739  -2.575  -2.104  1.00  0.00           H  
HETATM  124  H   UNL     1       7.179  -3.657  -0.807  1.00  0.00           H  
HETATM  125  H   UNL     1       5.654  -2.711  -0.342  1.00  0.00           H  
HETATM  126  H   UNL     1       5.312  -0.576  -0.608  1.00  0.00           H  
HETATM  127  H   UNL     1       2.117   0.735  -4.671  1.00  0.00           H  
HETATM  128  H   UNL     1       4.632   1.007  -5.043  1.00  0.00           H  
HETATM  129  H   UNL     1       5.975   0.304  -2.943  1.00  0.00           H  
HETATM  130  H   UNL     1       2.448   0.302  -0.023  1.00  0.00           H  
HETATM  131  H   UNL     1       3.466   2.387  -0.085  1.00  0.00           H  
HETATM  132  H   UNL     1       8.179   2.137   1.906  1.00  0.00           H  
HETATM  133  H   UNL     1       7.891   1.464   0.284  1.00  0.00           H  
HETATM  134  H   UNL     1       9.209   2.632   0.542  1.00  0.00           H  
HETATM  135  H   UNL     1       9.679   4.379   0.858  1.00  0.00           H  
HETATM  136  H   UNL     1       9.364   6.010   0.607  1.00  0.00           H  
HETATM  137  H   UNL     1       4.382   5.439  -4.618  1.00  0.00           H  
HETATM  138  H   UNL     1       5.049   6.957  -4.351  1.00  0.00           H  
HETATM  139  H   UNL     1       5.708   8.269   0.342  1.00  0.00           H  
HETATM  140  H   UNL     1       3.605   8.467   3.384  1.00  0.00           H  
HETATM  141  H   UNL     1       5.213   8.554   2.970  1.00  0.00           H  
HETATM  142  H   UNL     1       1.647  12.058   1.232  1.00  0.00           H  
HETATM  143  H   UNL     1       3.034  11.697   0.355  1.00  0.00           H  
HETATM  144  H   UNL     1       2.309  -1.702   1.437  1.00  0.00           H  
HETATM  145  H   UNL     1       3.420  -1.031   4.053  1.00  0.00           H  
HETATM  146  H   UNL     1       4.416  -3.316   4.338  1.00  0.00           H  
HETATM  147  H   UNL     1       4.108  -3.632   2.614  1.00  0.00           H  
HETATM  148  H   UNL     1       5.527  -1.692   2.004  1.00  0.00           H  
HETATM  149  H   UNL     1       5.835  -1.375   3.729  1.00  0.00           H  
HETATM  150  H   UNL     1       7.554  -2.714   2.749  1.00  0.00           H  
HETATM  151  H   UNL     1       1.693  -3.402   3.212  1.00  0.00           H  
HETATM  152  H   UNL     1       2.221  -2.230   5.815  1.00  0.00           H  
HETATM  153  H   UNL     1       0.618  -1.216   2.707  1.00  0.00           H  
HETATM  154  H   UNL     1       1.938   0.101   4.385  1.00  0.00           H  
HETATM  155  H   UNL     1       0.185   0.384   4.514  1.00  0.00           H  
HETATM  156  H   UNL     1       1.004  -0.678   5.685  1.00  0.00           H  
HETATM  157  H   UNL     1      -1.741  -0.641   3.877  1.00  0.00           H  
HETATM  158  H   UNL     1      -2.921  -3.283   4.272  1.00  0.00           H  
HETATM  159  H   UNL     1      -0.957  -2.293   6.406  1.00  0.00           H  
HETATM  160  H   UNL     1      -1.932  -2.701   7.838  1.00  0.00           H  
HETATM  161  H   UNL     1      -1.812  -3.852   6.486  1.00  0.00           H  
HETATM  162  H   UNL     1      -4.057  -0.235   6.062  1.00  0.00           H  
HETATM  163  H   UNL     1      -3.278  -0.633   7.612  1.00  0.00           H  
HETATM  164  H   UNL     1      -2.285  -0.159   6.212  1.00  0.00           H  
HETATM  165  H   UNL     1      -4.269  -3.790   6.277  1.00  0.00           H  
HETATM  166  H   UNL     1      -5.491  -2.920   4.545  1.00  0.00           H  
HETATM  167  H   UNL     1      -6.639  -0.501   3.648  1.00  0.00           H  
HETATM  168  H   UNL     1      -6.269  -1.507   2.227  1.00  0.00           H  
HETATM  169  H   UNL     1      -7.594  -3.365   3.198  1.00  0.00           H  
HETATM  170  H   UNL     1      -7.964  -2.359   4.619  1.00  0.00           H  
HETATM  171  H   UNL     1     -11.638  -1.501   0.811  1.00  0.00           H  
HETATM  172  H   UNL     1     -12.016  -0.494   2.247  1.00  0.00           H  
HETATM  173  H   UNL     1     -10.221   0.836   1.767  1.00  0.00           H  
HETATM  174  H   UNL     1      -8.891  -0.882  -3.377  1.00  0.00           H  
HETATM  175  H   UNL     1     -10.970   2.959  -1.911  1.00  0.00           H  
HETATM  176  H   UNL     1     -10.114   4.100  -4.349  1.00  0.00           H  
HETATM  177  H   UNL     1     -11.703   3.342  -4.611  1.00  0.00           H  
HETATM  178  H   UNL     1     -12.646   4.671  -2.743  1.00  0.00           H  
HETATM  179  H   UNL     1     -11.057   5.429  -2.480  1.00  0.00           H  
HETATM  180  H   UNL     1     -11.922   6.443  -6.201  1.00  0.00           H  
HETATM  181  H   UNL     1     -12.887   7.361  -3.017  1.00  0.00           H  
HETATM  182  H   UNL     1     -12.853   7.847  -4.625  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   55                                       
CONECT    3    2    4   54   98                                       
CONECT    4    3   53   99  100                                       
CONECT    5    6    6    7   52                                       
CONECT    6    5    5                                                 
CONECT    7    5    8  101  102                                       
CONECT    8    7    9   53  103                                       
CONECT    9    8   48   48   51                                       
CONECT   10   11   50   51   51                                       
CONECT   11   10   12   12   49                                       
CONECT   12   11   11   47   48                                       
CONECT   13   47   47                                                 
CONECT   14   15  104  105                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   21  106                                       
CONECT   19   18   20   27  107                                       
CONECT   20   19  108                                                 
CONECT   21   18   22   23  109                                       
CONECT   22   21  110                                                 
CONECT   23   21   24   26  111                                       
CONECT   24   23   25  112  113                                       
CONECT   25   24  114                                                 
CONECT   26   23   27                                                 
CONECT   27   19   26   28  115                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   37  116                                       
CONECT   30   29   31   32  117                                       
CONECT   31   30  118                                                 
CONECT   32   30   33   34  119                                       
CONECT   33   32  120                                                 
CONECT   34   32   35   36  121                                       
CONECT   35   34  122  123  124                                       
CONECT   36   34   37                                                 
CONECT   37   29   36   38  125                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   45  126                                       
CONECT   40   39   41   44   44                                       
CONECT   41   40   42   42                                            
CONECT   42   41   41   43  127                                       
CONECT   43   42   44  128                                            
CONECT   44   40   40   43  129                                       
CONECT   45   39   46   56  130                                       
CONECT   46   45   47  131                                            
CONECT   47   12   13   13   46                                       
CONECT   48    9    9   12                                            
CONECT   49   11  132  133  134                                       
CONECT   50   10  135  136                                            
CONECT   51    9   10   10                                            
CONECT   52    5  137  138                                            
CONECT   53    4    8  139                                            
CONECT   54    3  140  141                                            
CONECT   55    2  142  143                                            
CONECT   56   45   57   57   58                                       
CONECT   57   56   56                                                 
CONECT   58   56   59  144                                            
CONECT   59   58   60   63  145                                       
CONECT   60   59   61  146  147                                       
CONECT   61   60   62  148  149                                       
CONECT   62   61  150                                                 
CONECT   63   59   64   65  151                                       
CONECT   64   63  152                                                 
CONECT   65   63   66   67  153                                       
CONECT   66   65  154  155  156                                       
CONECT   67   65   68   68   69                                       
CONECT   68   67   67                                                 
CONECT   69   67   70  157                                            
CONECT   70   69   71   75  158                                       
CONECT   71   70   72   73   74                                       
CONECT   72   71  159  160  161                                       
CONECT   73   71  162  163  164                                       
CONECT   74   71  165                                                 
CONECT   75   70   76   76   77                                       
CONECT   76   75   75                                                 
CONECT   77   75   78  166                                            
CONECT   78   77   79  167  168                                       
CONECT   79   78   80  169  170                                       
CONECT   80   79   81   81   82                                       
CONECT   81   80   80   84                                            
CONECT   82   80   83                                                 
CONECT   83   82   84  171  172                                       
CONECT   84   81   83   85  173                                       
CONECT   85   84   86   86   87                                       
CONECT   86   85   85   89                                            
CONECT   87   85   88                                                 
CONECT   88   87   89   89  174                                       
CONECT   89   86   88   88   90                                       
CONECT   90   89   91   91   92                                       
CONECT   91   90   90                                                 
CONECT   92   90   93  175                                            
CONECT   93   92   94  176  177                                       
CONECT   94   93   95  178  179                                       
CONECT   95   94   96   96   97                                       
CONECT   96   95   95  180                                            
CONECT   97   95  181  182                                            
CONECT   98    3                                                      
CONECT   99    4                                                      
CONECT  100    4                                                      
CONECT  101    7                                                      
CONECT  102    7                                                      
CONECT  103    8                                                      
CONECT  104   14                                                      
CONECT  105   14                                                      
CONECT  106   18                                                      
CONECT  107   19                                                      
CONECT  108   20                                                      
CONECT  109   21                                                      
CONECT  110   22                                                      
CONECT  111   23                                                      
CONECT  112   24                                                      
CONECT  113   24                                                      
CONECT  114   25                                                      
CONECT  115   27                                                      
CONECT  116   29                                                      
CONECT  117   30                                                      
CONECT  118   31                                                      
CONECT  119   32                                                      
CONECT  120   33                                                      
CONECT  121   34                                                      
CONECT  122   35                                                      
CONECT  123   35                                                      
CONECT  124   35                                                      
CONECT  125   37                                                      
CONECT  126   39                                                      
CONECT  127   42                                                      
CONECT  128   43                                                      
CONECT  129   44                                                      
CONECT  130   45                                                      
CONECT  131   46                                                      
CONECT  132   49                                                      
CONECT  133   49                                                      
CONECT  134   49                                                      
CONECT  135   50                                                      
CONECT  136   50                                                      
CONECT  137   52                                                      
CONECT  138   52                                                      
CONECT  139   53                                                      
CONECT  140   54                                                      
CONECT  141   54                                                      
CONECT  142   55                                                      
CONECT  143   55                                                      
CONECT  144   58                                                      
CONECT  145   59                                                      
CONECT  146   60                                                      
CONECT  147   60                                                      
CONECT  148   61                                                      
CONECT  149   61                                                      
CONECT  150   62                                                      
CONECT  151   63                                                      
CONECT  152   64                                                      
CONECT  153   65                                                      
CONECT  154   66                                                      
CONECT  155   66                                                      
CONECT  156   66                                                      
CONECT  157   69                                                      
CONECT  158   70                                                      
CONECT  159   72                                                      
CONECT  160   72                                                      
CONECT  161   72                                                      
CONECT  162   73                                                      
CONECT  163   73                                                      
CONECT  164   73                                                      
CONECT  165   74                                                      
CONECT  166   77                                                      
CONECT  167   78                                                      
CONECT  168   78                                                      
CONECT  169   79                                                      
CONECT  170   79                                                      
CONECT  171   83                                                      
CONECT  172   83                                                      
CONECT  173   84                                                      
CONECT  174   88                                                      
CONECT  175   92                                                      
CONECT  176   93                                                      
CONECT  177   93                                                      
CONECT  178   94                                                      
CONECT  179   94                                                      
CONECT  180   96                                                      
CONECT  181   97                                                      
CONECT  182   97                                                      
MASTER        0    0    0    0    0    0    0    0  182    0  182    0
END
