COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.768  -3.854   0.592  1.00  0.00           C  
HETATM    2  C   UNL     1       3.230  -3.811   0.461  1.00  0.00           C  
HETATM    3  C   UNL     1       2.759  -3.030  -0.742  1.00  0.00           C  
HETATM    4  C   UNL     1       2.644  -3.378   1.712  1.00  0.00           C  
HETATM    5  O   UNL     1       2.771  -5.225   0.097  1.00  0.00           O  
HETATM    6  N   UNL     1       1.642  -3.838  -1.241  1.00  0.00           N  
HETATM    7  C   UNL     1       3.728  -2.568  -1.803  1.00  0.00           C  
HETATM    8  C   UNL     1       2.426  -4.553   2.655  1.00  0.00           C  
HETATM    9  O   UNL     1       3.474  -2.378   2.336  1.00  0.00           O  
HETATM   10  C   UNL     1       1.794  -5.107  -0.817  1.00  0.00           C  
HETATM   11  C   UNL     1       3.706  -3.586  -2.953  1.00  0.00           C  
HETATM   12  C   UNL     1       3.405  -1.273  -2.261  1.00  0.00           C  
HETATM   13  C   UNL     1       1.629  -4.086   3.875  1.00  0.00           C  
HETATM   14  C   UNL     1       2.953  -1.183   2.636  1.00  0.00           C  
HETATM   15  O   UNL     1       1.181  -6.069  -1.264  1.00  0.00           O  
HETATM   16  O   UNL     1       2.235  -0.945  -2.234  1.00  0.00           O  
HETATM   17  C   UNL     1       4.452  -0.212  -2.713  1.00  0.00           C  
HETATM   18  O   UNL     1       1.787  -0.915   2.473  1.00  0.00           O  
HETATM   19  C   UNL     1       3.870  -0.129   3.347  1.00  0.00           C  
HETATM   20  C   UNL     1       5.816  -0.797  -2.955  1.00  0.00           C  
HETATM   21  C   UNL     1       4.402   1.083  -1.942  1.00  0.00           C  
HETATM   22  C   UNL     1       3.634  -0.209   4.812  1.00  0.00           C  
HETATM   23  C   UNL     1       3.529   1.245   2.798  1.00  0.00           C  
HETATM   24  C   UNL     1       4.891   1.036  -0.507  1.00  0.00           C  
HETATM   25  O   UNL     1       2.540   1.726   3.126  1.00  0.00           O  
HETATM   26  C   UNL     1       4.511   1.909   1.823  1.00  0.00           C  
HETATM   27  O   UNL     1       6.174   1.699  -0.528  1.00  0.00           O  
HETATM   28  C   UNL     1       5.093  -0.332  -0.009  1.00  0.00           C  
HETATM   29  C   UNL     1       3.920   1.791   0.401  1.00  0.00           C  
HETATM   30  C   UNL     1       4.696   3.281   2.250  1.00  0.00           C  
HETATM   31  C   UNL     1       7.108   1.128  -1.446  1.00  0.00           C  
HETATM   32  O   UNL     1       3.711   3.109  -0.138  1.00  0.00           O  
HETATM   33  C   UNL     1       2.421   3.656   0.147  1.00  0.00           C  
HETATM   34  C   UNL     1       2.354   5.098  -0.362  1.00  0.00           C  
HETATM   35  O   UNL     1       1.418   2.875  -0.506  1.00  0.00           O  
HETATM   36  O   UNL     1       3.318   5.894   0.331  1.00  0.00           O  
HETATM   37  C   UNL     1       0.951   5.656  -0.108  1.00  0.00           C  
HETATM   38  C   UNL     1       0.083   3.322  -0.266  1.00  0.00           C  
HETATM   39  N   UNL     1       0.854   7.014  -0.661  1.00  0.00           N  
HETATM   40  C   UNL     1      -0.078   4.751  -0.791  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.902   2.399  -0.987  1.00  0.00           C  
HETATM   42  C   UNL     1       0.961   6.995  -2.126  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.389   7.669  -0.233  1.00  0.00           C  
HETATM   44  C   UNL     1       0.494  -3.391  -2.122  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.694  -2.990  -1.245  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.893  -2.655  -2.134  1.00  0.00           C  
HETATM   47  N   UNL     1      -3.031  -2.271  -1.295  1.00  0.00           N  
HETATM   48  N   UNL     1      -3.532  -2.971  -0.338  1.00  0.00           N  
HETATM   49  N   UNL     1      -4.522  -2.347   0.197  1.00  0.00           N  
HETATM   50  C   UNL     1      -4.688  -1.178  -0.433  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.732  -1.117  -1.389  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.549  -0.333   0.068  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.179   0.294   0.120  1.00  0.00           C  
HETATM   54  O   UNL     1      -9.667  -1.513  -0.188  1.00  0.00           O  
HETATM   55  C   UNL     1      -7.121  -0.768  -0.185  1.00  0.00           C  
HETATM   56  C   UNL     1      -5.731  -0.132  -0.132  1.00  0.00           C  
HETATM   57  O   UNL     1     -12.682   1.992   0.789  1.00  0.00           O  
HETATM   58  N   UNL     1     -10.643   0.418   0.306  1.00  0.00           N  
HETATM   59  C   UNL     1     -11.974  -0.191   0.256  1.00  0.00           C  
HETATM   60  C   UNL     1     -13.017   0.854   0.556  1.00  0.00           C  
HETATM   61  O   UNL     1     -14.317   0.522   0.566  1.00  0.00           O  
HETATM   62  H   UNL     1       5.203  -4.193  -0.349  1.00  0.00           H  
HETATM   63  H   UNL     1       5.141  -2.857   0.826  1.00  0.00           H  
HETATM   64  H   UNL     1       5.046  -4.542   1.390  1.00  0.00           H  
HETATM   65  H   UNL     1       2.288  -2.092  -0.331  1.00  0.00           H  
HETATM   66  H   UNL     1       1.626  -2.898   1.502  1.00  0.00           H  
HETATM   67  H   UNL     1       4.793  -2.623  -1.448  1.00  0.00           H  
HETATM   68  H   UNL     1       1.873  -5.337   2.138  1.00  0.00           H  
HETATM   69  H   UNL     1       3.391  -4.943   2.979  1.00  0.00           H  
HETATM   70  H   UNL     1       2.726  -3.574  -3.430  1.00  0.00           H  
HETATM   71  H   UNL     1       4.469  -3.324  -3.685  1.00  0.00           H  
HETATM   72  H   UNL     1       3.906  -4.583  -2.559  1.00  0.00           H  
HETATM   73  H   UNL     1       1.472  -4.927   4.550  1.00  0.00           H  
HETATM   74  H   UNL     1       2.182  -3.303   4.392  1.00  0.00           H  
HETATM   75  H   UNL     1       0.664  -3.697   3.550  1.00  0.00           H  
HETATM   76  H   UNL     1       4.017   0.090  -3.804  1.00  0.00           H  
HETATM   77  H   UNL     1       4.873  -0.433   3.187  1.00  0.00           H  
HETATM   78  H   UNL     1       5.737  -1.622  -3.662  1.00  0.00           H  
HETATM   79  H   UNL     1       6.473  -0.030  -3.363  1.00  0.00           H  
HETATM   80  H   UNL     1       6.226  -1.164  -2.014  1.00  0.00           H  
HETATM   81  H   UNL     1       4.955   1.781  -2.501  1.00  0.00           H  
HETATM   82  H   UNL     1       3.392   1.440  -1.922  1.00  0.00           H  
HETATM   83  H   UNL     1       3.878  -1.212   5.164  1.00  0.00           H  
HETATM   84  H   UNL     1       4.265   0.519   5.321  1.00  0.00           H  
HETATM   85  H   UNL     1       2.587   0.006   5.024  1.00  0.00           H  
HETATM   86  H   UNL     1       5.479   1.353   1.868  1.00  0.00           H  
HETATM   87  H   UNL     1       4.173  -0.903  -0.131  1.00  0.00           H  
HETATM   88  H   UNL     1       5.895  -0.809  -0.573  1.00  0.00           H  
HETATM   89  H   UNL     1       5.363  -0.298   1.047  1.00  0.00           H  
HETATM   90  H   UNL     1       2.970   1.268   0.352  1.00  0.00           H  
HETATM   91  H   UNL     1       5.099   3.295   3.263  1.00  0.00           H  
HETATM   92  H   UNL     1       5.390   3.781   1.576  1.00  0.00           H  
HETATM   93  H   UNL     1       3.737   3.799   2.234  1.00  0.00           H  
HETATM   94  H   UNL     1       7.185   0.056  -1.267  1.00  0.00           H  
HETATM   95  H   UNL     1       6.768   1.303  -2.466  1.00  0.00           H  
HETATM   96  H   UNL     1       8.085   1.590  -1.305  1.00  0.00           H  
HETATM   97  H   UNL     1       2.250   3.642   1.223  1.00  0.00           H  
HETATM   98  H   UNL     1       2.567   5.117  -1.431  1.00  0.00           H  
HETATM   99  H   UNL     1       4.230   5.594   0.218  1.00  0.00           H  
HETATM  100  H   UNL     1       0.759   5.685   0.965  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.119   3.303   0.805  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.084   5.109  -0.569  1.00  0.00           H  
HETATM  103  H   UNL     1       0.084   4.763  -1.869  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.786   1.381  -0.613  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.921   2.740  -0.803  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.700   2.418  -2.058  1.00  0.00           H  
HETATM  107  H   UNL     1       0.155   6.390  -2.541  1.00  0.00           H  
HETATM  108  H   UNL     1       0.887   8.012  -2.509  1.00  0.00           H  
HETATM  109  H   UNL     1       1.922   6.567  -2.414  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.410   7.733   0.855  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.435   8.673  -0.656  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.244   7.089  -0.579  1.00  0.00           H  
HETATM  113  H   UNL     1       0.808  -2.537  -2.721  1.00  0.00           H  
HETATM  114  H   UNL     1       0.201  -4.209  -2.780  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.953  -3.817  -0.583  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.428  -2.117  -0.649  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.635  -1.828  -2.796  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.159  -3.528  -2.730  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.564  -0.312  -2.088  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.117   1.092  -0.619  1.00  0.00           H  
HETATM  121  H   UNL     1      -8.005   0.705   1.115  1.00  0.00           H  
HETATM  122  H   UNL     1      -7.184  -1.567   0.554  1.00  0.00           H  
HETATM  123  H   UNL     1      -7.295  -1.179  -1.179  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.556   0.279   0.862  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.668   0.666  -0.872  1.00  0.00           H  
HETATM  126  H   UNL     1     -10.549   1.361   0.511  1.00  0.00           H  
HETATM  127  H   UNL     1     -12.148  -0.603  -0.739  1.00  0.00           H  
HETATM  128  H   UNL     1     -12.037  -0.990   0.995  1.00  0.00           H  
HETATM  129  H   UNL     1     -14.949   1.227   0.764  1.00  0.00           H  
CONECT    1    2   62   63   64                                       
CONECT    2    4    3    5    1                                       
CONECT    3    6    2    7   65                                       
CONECT    4    8    9    2   66                                       
CONECT    5   10    2                                                 
CONECT    6   44    3   10                                            
CONECT    7    3   12   11   67                                       
CONECT    8   13    4   68   69                                       
CONECT    9   14    4                                                 
CONECT   10    6   15   15    5                                       
CONECT   11    7   70   71   72                                       
CONECT   12   16   16   17    7                                       
CONECT   13    8   73   74   75                                       
CONECT   14   18   18   19    9                                       
CONECT   15   10   10                                                 
CONECT   16   12   12                                                 
CONECT   17   12   21   20   76                                       
CONECT   18   14   14                                                 
CONECT   19   22   23   14   77                                       
CONECT   20   17   78   79   80                                       
CONECT   21   24   17   81   82                                       
CONECT   22   19   83   84   85                                       
CONECT   23   25   25   19   26                                       
CONECT   24   27   28   29   21                                       
CONECT   25   23   23                                                 
CONECT   26   23   29   30   86                                       
CONECT   27   31   24                                                 
CONECT   28   24   87   88   89                                       
CONECT   29   24   26   32   90                                       
CONECT   30   26   91   92   93                                       
CONECT   31   27   94   95   96                                       
CONECT   32   29   33                                                 
CONECT   33   35   32   34   97                                       
CONECT   34   33   37   36   98                                       
CONECT   35   38   33                                                 
CONECT   36   34   99                                                 
CONECT   37   40   34   39  100                                       
CONECT   38   41   35   40  101                                       
CONECT   39   37   42   43                                            
CONECT   40   38   37  102  103                                       
CONECT   41   38  104  105  106                                       
CONECT   42   39  107  108  109                                       
CONECT   43   39  110  111  112                                       
CONECT   44   45    6  113  114                                       
CONECT   45   44   46  115  116                                       
CONECT   46   45   47  117  118                                       
CONECT   47   46   51   48                                            
CONECT   48   47   49   49                                            
CONECT   49   48   48   50                                            
CONECT   50   51   51   49   56                                       
CONECT   51   47   50   50  119                                       
CONECT   52   58   54   54   53                                       
CONECT   53   52   55  120  121                                       
CONECT   54   52   52                                                 
CONECT   55   53   56  122  123                                       
CONECT   56   50   55  124  125                                       
CONECT   57   60   60                                                 
CONECT   58   59   52  126                                            
CONECT   59   60   58  127  128                                       
CONECT   60   57   57   59   61                                       
CONECT   61   60  129                                                 
CONECT   62    1                                                      
CONECT   63    1                                                      
CONECT   64    1                                                      
CONECT   65    3                                                      
CONECT   66    4                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   17                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   26                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   31                                                      
CONECT   96   31                                                      
CONECT   97   33                                                      
CONECT   98   34                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   41                                                      
CONECT  106   41                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   43                                                      
CONECT  111   43                                                      
CONECT  112   43                                                      
CONECT  113   44                                                      
CONECT  114   44                                                      
CONECT  115   45                                                      
CONECT  116   45                                                      
CONECT  117   46                                                      
CONECT  118   46                                                      
CONECT  119   51                                                      
CONECT  120   53                                                      
CONECT  121   53                                                      
CONECT  122   55                                                      
CONECT  123   55                                                      
CONECT  124   56                                                      
CONECT  125   56                                                      
CONECT  126   58                                                      
CONECT  127   59                                                      
CONECT  128   59                                                      
CONECT  129   61                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
