COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.021  -5.284  -0.565  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.619  -4.656  -1.392  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.008  -4.237  -2.514  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.981  -4.367  -1.143  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.523  -4.627   0.073  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.918  -4.270   0.323  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.485  -4.401   1.521  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.714  -4.924   2.706  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.932  -4.004   1.704  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.047  -2.480   1.763  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.071  -2.048   0.861  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.601  -1.768  -0.459  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.401  -2.033   3.182  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.154  -0.724   3.134  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.437  -0.679   3.496  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.159   0.596   3.434  1.00  0.00           C  
HETATM   17  O   UNL     1     -10.244   0.703   3.971  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.457   0.536   2.696  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.434   1.465   1.997  1.00  0.00           C  
HETATM   20  O   UNL     1      -8.645   1.640   2.769  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.791   2.845   1.796  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.879   3.833   1.360  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.699   2.766   0.730  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.243   2.221  -0.475  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.299   1.490  -1.261  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.158   4.167   0.448  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.634   4.138   0.322  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.087   5.311   0.929  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.781   5.126   1.480  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.243   4.108  -1.135  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.026   3.761  -1.455  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.555   3.679  -2.884  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.696   3.213  -3.787  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.402   2.670  -2.945  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.860   1.414  -2.437  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.258   1.186  -2.627  1.00  0.00           C  
HETATM   37  C   UNL     1       0.115   2.499  -4.368  1.00  0.00           C  
HETATM   38  C   UNL     1       1.270   1.490  -4.391  1.00  0.00           C  
HETATM   39  O   UNL     1       2.038   1.612  -3.194  1.00  0.00           O  
HETATM   40  C   UNL     1       3.451   1.579  -3.403  1.00  0.00           C  
HETATM   41  C   UNL     1       0.709   0.096  -4.507  1.00  0.00           C  
HETATM   42  C   UNL     1       1.041  -0.838  -3.650  1.00  0.00           C  
HETATM   43  C   UNL     1       0.456  -2.220  -3.743  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.059  -2.127  -3.941  1.00  0.00           C  
HETATM   45  C   UNL     1       0.741  -3.021  -2.469  1.00  0.00           C  
HETATM   46  C   UNL     1       0.338  -2.198  -1.245  1.00  0.00           C  
HETATM   47  C   UNL     1       0.252  -3.112  -0.021  1.00  0.00           C  
HETATM   48  C   UNL     1       1.383  -1.109  -0.996  1.00  0.00           C  
HETATM   49  O   UNL     1       1.257  -0.626   0.343  1.00  0.00           O  
HETATM   50  C   UNL     1       0.335   0.456   0.487  1.00  0.00           C  
HETATM   51  C   UNL     1       2.783  -1.689  -1.200  1.00  0.00           C  
HETATM   52  C   UNL     1       3.150  -1.628  -2.684  1.00  0.00           C  
HETATM   53  C   UNL     1       3.796  -0.876  -0.390  1.00  0.00           C  
HETATM   54  C   UNL     1       5.096  -1.671  -0.255  1.00  0.00           C  
HETATM   55  C   UNL     1       6.093  -0.870   0.543  1.00  0.00           C  
HETATM   56  O   UNL     1       5.794   0.224   0.960  1.00  0.00           O  
HETATM   57  C   UNL     1       7.463  -1.433   0.820  1.00  0.00           C  
HETATM   58  C   UNL     1       7.406  -2.324   2.063  1.00  0.00           C  
HETATM   59  C   UNL     1       8.447  -0.286   1.060  1.00  0.00           C  
HETATM   60  O   UNL     1       8.500   0.546  -0.101  1.00  0.00           O  
HETATM   61  C   UNL     1       8.640   1.939   0.189  1.00  0.00           C  
HETATM   62  C   UNL     1       9.838  -0.858   1.341  1.00  0.00           C  
HETATM   63  C   UNL     1      10.803   0.271   1.597  1.00  0.00           C  
HETATM   64  C   UNL     1      11.544   0.271   2.688  1.00  0.00           C  
HETATM   65  N   UNL     1      12.436   1.314   2.924  1.00  0.00           N  
HETATM   66  C   UNL     1      12.551   2.411   1.960  1.00  0.00           C  
HETATM   67  C   UNL     1      13.192   1.314   4.039  1.00  0.00           C  
HETATM   68  O   UNL     1      13.969   2.223   4.245  1.00  0.00           O  
HETATM   69  H   UNL     1      -2.610  -3.952  -1.923  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.914  -5.094   0.831  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.507  -3.892  -0.507  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.692  -5.150   2.403  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.702  -4.169   3.492  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.192  -5.830   3.079  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.512  -4.377   0.861  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.312  -4.439   2.626  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.098  -2.031   1.470  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.853  -0.976  -0.418  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.156  -2.667  -0.885  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.437  -1.447  -1.081  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.031  -2.791   3.653  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.491  -1.908   3.765  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.944  -1.575   3.826  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.037   1.037   3.566  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.650   0.277   2.005  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.686   1.060   1.014  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.353   3.183   2.739  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.648   3.890   2.131  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.438   4.819   1.213  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.326   3.492   0.426  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.888   2.126   1.081  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.789   1.109  -2.157  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.478   2.147  -1.547  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.910   0.656  -0.677  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.586   4.542  -0.485  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.421   4.841   1.261  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.234   3.256   0.821  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.437   6.061   1.921  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.817   4.353   2.247  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.094   4.822   0.690  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.969   4.392  -1.883  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.322   3.527  -0.660  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.197   4.655  -3.208  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.425   4.016  -3.895  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.298   2.950  -4.768  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.177   2.341  -3.344  1.00  0.00           H  
HETATM  107  H   UNL     1       0.407   3.035  -2.306  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.553   0.278  -2.100  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.821   2.033  -2.234  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.467   1.073  -3.691  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.674   2.119  -5.017  1.00  0.00           H  
HETATM  112  H   UNL     1       0.469   3.455  -4.752  1.00  0.00           H  
HETATM  113  H   UNL     1       1.903   1.693  -5.252  1.00  0.00           H  
HETATM  114  H   UNL     1       3.951   1.333  -2.467  1.00  0.00           H  
HETATM  115  H   UNL     1       3.690   0.824  -4.152  1.00  0.00           H  
HETATM  116  H   UNL     1       3.789   2.555  -3.750  1.00  0.00           H  
HETATM  117  H   UNL     1       0.028  -0.123  -5.322  1.00  0.00           H  
HETATM  118  H   UNL     1       1.763  -0.614  -2.875  1.00  0.00           H  
HETATM  119  H   UNL     1       0.895  -2.740  -4.592  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.272  -1.661  -4.904  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.490  -3.128  -3.920  1.00  0.00           H  
HETATM  122  H   UNL     1      -1.494  -1.527  -3.143  1.00  0.00           H  
HETATM  123  H   UNL     1       1.808  -3.252  -2.418  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.634  -1.736  -1.422  1.00  0.00           H  
HETATM  125  H   UNL     1       1.020  -3.883  -0.089  1.00  0.00           H  
HETATM  126  H   UNL     1       0.406  -2.524   0.883  1.00  0.00           H  
HETATM  127  H   UNL     1      -0.731  -3.582   0.014  1.00  0.00           H  
HETATM  128  H   UNL     1       1.225  -0.287  -1.694  1.00  0.00           H  
HETATM  129  H   UNL     1      -0.610   0.193   0.013  1.00  0.00           H  
HETATM  130  H   UNL     1       0.168   0.653   1.546  1.00  0.00           H  
HETATM  131  H   UNL     1       0.745   1.348   0.013  1.00  0.00           H  
HETATM  132  H   UNL     1       2.799  -2.727  -0.864  1.00  0.00           H  
HETATM  133  H   UNL     1       3.279  -0.588  -2.983  1.00  0.00           H  
HETATM  134  H   UNL     1       4.079  -2.172  -2.851  1.00  0.00           H  
HETATM  135  H   UNL     1       2.353  -2.079  -3.274  1.00  0.00           H  
HETATM  136  H   UNL     1       3.996   0.065  -0.901  1.00  0.00           H  
HETATM  137  H   UNL     1       3.389  -0.673   0.601  1.00  0.00           H  
HETATM  138  H   UNL     1       4.895  -2.612   0.256  1.00  0.00           H  
HETATM  139  H   UNL     1       5.503  -1.874  -1.245  1.00  0.00           H  
HETATM  140  H   UNL     1       7.793  -2.023  -0.035  1.00  0.00           H  
HETATM  141  H   UNL     1       6.705  -3.141   1.892  1.00  0.00           H  
HETATM  142  H   UNL     1       8.397  -2.732   2.263  1.00  0.00           H  
HETATM  143  H   UNL     1       7.076  -1.735   2.918  1.00  0.00           H  
HETATM  144  H   UNL     1       8.117   0.303   1.915  1.00  0.00           H  
HETATM  145  H   UNL     1       8.584   2.510  -0.738  1.00  0.00           H  
HETATM  146  H   UNL     1       7.839   2.253   0.858  1.00  0.00           H  
HETATM  147  H   UNL     1       9.603   2.115   0.667  1.00  0.00           H  
HETATM  148  H   UNL     1       9.794  -1.504   2.218  1.00  0.00           H  
HETATM  149  H   UNL     1      10.174  -1.436   0.480  1.00  0.00           H  
HETATM  150  H   UNL     1      10.888   1.080   0.886  1.00  0.00           H  
HETATM  151  H   UNL     1      11.459  -0.538   3.399  1.00  0.00           H  
HETATM  152  H   UNL     1      11.844   3.199   2.220  1.00  0.00           H  
HETATM  153  H   UNL     1      13.565   2.810   1.984  1.00  0.00           H  
HETATM  154  H   UNL     1      12.330   2.040   0.959  1.00  0.00           H  
HETATM  155  H   UNL     1      13.107   0.505   4.750  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   45                                                 
CONECT    4    2    5    5   69                                       
CONECT    5    4    4    6   70                                       
CONECT    6    5    7    7   71                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   72   73   74                                       
CONECT    9    7   10   75   76                                       
CONECT   10    9   11   13   77                                       
CONECT   11   10   12                                                 
CONECT   12   11   78   79   80                                       
CONECT   13   10   14   81   82                                       
CONECT   14   13   15   15   18                                       
CONECT   15   14   14   16   83                                       
CONECT   16   15   17   17   20                                       
CONECT   17   16   16                                                 
CONECT   18   14   19   84   85                                       
CONECT   19   18   20   21   86                                       
CONECT   20   16   19                                                 
CONECT   21   19   22   23   87                                       
CONECT   22   21   88   89   90                                       
CONECT   23   21   24   26   91                                       
CONECT   24   23   25                                                 
CONECT   25   24   92   93   94                                       
CONECT   26   23   27   95   96                                       
CONECT   27   26   28   30   97                                       
CONECT   28   27   29                                                 
CONECT   29   28   98   99  100                                       
CONECT   30   27   31   31  101                                       
CONECT   31   30   30   32  102                                       
CONECT   32   31   33   34  103                                       
CONECT   33   32  104  105  106                                       
CONECT   34   32   35   37  107                                       
CONECT   35   34   36                                                 
CONECT   36   35  108  109  110                                       
CONECT   37   34   38  111  112                                       
CONECT   38   37   39   41  113                                       
CONECT   39   38   40                                                 
CONECT   40   39  114  115  116                                       
CONECT   41   38   42   42  117                                       
CONECT   42   41   41   43  118                                       
CONECT   43   42   44   45  119                                       
CONECT   44   43  120  121  122                                       
CONECT   45    3   43   46  123                                       
CONECT   46   45   47   48  124                                       
CONECT   47   46  125  126  127                                       
CONECT   48   46   49   51  128                                       
CONECT   49   48   50                                                 
CONECT   50   49  129  130  131                                       
CONECT   51   48   52   53  132                                       
CONECT   52   51  133  134  135                                       
CONECT   53   51   54  136  137                                       
CONECT   54   53   55  138  139                                       
CONECT   55   54   56   56   57                                       
CONECT   56   55   55                                                 
CONECT   57   55   58   59  140                                       
CONECT   58   57  141  142  143                                       
CONECT   59   57   60   62  144                                       
CONECT   60   59   61                                                 
CONECT   61   60  145  146  147                                       
CONECT   62   59   63  148  149                                       
CONECT   63   62   64   64  150                                       
CONECT   64   63   63   65  151                                       
CONECT   65   64   66   67                                            
CONECT   66   65  152  153  154                                       
CONECT   67   65   68   68  155                                       
CONECT   68   67   67                                                 
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    8                                                      
CONECT   73    8                                                      
CONECT   74    8                                                      
CONECT   75    9                                                      
CONECT   76    9                                                      
CONECT   77   10                                                      
CONECT   78   12                                                      
CONECT   79   12                                                      
CONECT   80   12                                                      
CONECT   81   13                                                      
CONECT   82   13                                                      
CONECT   83   15                                                      
CONECT   84   18                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   21                                                      
CONECT   88   22                                                      
CONECT   89   22                                                      
CONECT   90   22                                                      
CONECT   91   23                                                      
CONECT   92   25                                                      
CONECT   93   25                                                      
CONECT   94   25                                                      
CONECT   95   26                                                      
CONECT   96   26                                                      
CONECT   97   27                                                      
CONECT   98   29                                                      
CONECT   99   29                                                      
CONECT  100   29                                                      
CONECT  101   30                                                      
CONECT  102   31                                                      
CONECT  103   32                                                      
CONECT  104   33                                                      
CONECT  105   33                                                      
CONECT  106   33                                                      
CONECT  107   34                                                      
CONECT  108   36                                                      
CONECT  109   36                                                      
CONECT  110   36                                                      
CONECT  111   37                                                      
CONECT  112   37                                                      
CONECT  113   38                                                      
CONECT  114   40                                                      
CONECT  115   40                                                      
CONECT  116   40                                                      
CONECT  117   41                                                      
CONECT  118   42                                                      
CONECT  119   43                                                      
CONECT  120   44                                                      
CONECT  121   44                                                      
CONECT  122   44                                                      
CONECT  123   45                                                      
CONECT  124   46                                                      
CONECT  125   47                                                      
CONECT  126   47                                                      
CONECT  127   47                                                      
CONECT  128   48                                                      
CONECT  129   50                                                      
CONECT  130   50                                                      
CONECT  131   50                                                      
CONECT  132   51                                                      
CONECT  133   52                                                      
CONECT  134   52                                                      
CONECT  135   52                                                      
CONECT  136   53                                                      
CONECT  137   53                                                      
CONECT  138   54                                                      
CONECT  139   54                                                      
CONECT  140   57                                                      
CONECT  141   58                                                      
CONECT  142   58                                                      
CONECT  143   58                                                      
CONECT  144   59                                                      
CONECT  145   61                                                      
CONECT  146   61                                                      
CONECT  147   61                                                      
CONECT  148   62                                                      
CONECT  149   62                                                      
CONECT  150   63                                                      
CONECT  151   64                                                      
CONECT  152   66                                                      
CONECT  153   66                                                      
CONECT  154   66                                                      
CONECT  155   67                                                      
MASTER        0    0    0    0    0    0    0    0  155    0  155    0
END
