COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.639   4.727   0.327  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.892   5.014  -0.226  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.637   3.698  -0.240  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.637   2.728   0.356  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.996   3.297  -1.673  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.894   3.780   0.627  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.712   5.770   0.470  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.045   7.046   0.070  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.290   7.311  -0.473  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.214   6.289  -0.621  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.836   1.356   0.566  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.046   0.790   0.283  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.281  -0.556   0.597  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.490  -1.122   0.314  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.726  -2.473   0.629  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.925  -3.033   0.349  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.111  -2.351  -0.298  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.166  -3.431  -0.370  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.552   3.405   0.633  1.00  0.00           N1+
HETATM   20  C   UNL     1     -10.605  -4.576   0.181  1.00  0.00           C  
HETATM   21  N   UNL     1      -9.296  -4.328   0.590  1.00  0.00           N  
HETATM   22  C   UNL     1     -12.457  -3.440  -0.850  1.00  0.00           C  
HETATM   23  C   UNL     1     -13.210  -4.600  -0.786  1.00  0.00           C  
HETATM   24  C   UNL     1     -12.662  -5.746  -0.239  1.00  0.00           C  
HETATM   25  C   UNL     1     -11.369  -5.741   0.240  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.427  -5.330   1.211  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.596  -1.186   0.567  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.747  -1.859  -1.700  1.00  0.00           C  
HETATM   29  C   UNL     1      11.536  -0.659   0.732  1.00  0.00           C  
HETATM   30  C   UNL     1      12.978  -0.356   0.319  1.00  0.00           C  
HETATM   31  C   UNL     1      13.798  -1.648   0.345  1.00  0.00           C  
HETATM   32  C   UNL     1      13.189  -2.658  -0.630  1.00  0.00           C  
HETATM   33  C   UNL     1      11.747  -2.960  -0.217  1.00  0.00           C  
HETATM   34  C   UNL     1      10.928  -1.668  -0.243  1.00  0.00           C  
HETATM   35  O   UNL     1      11.524  -1.204   2.053  1.00  0.00           O  
HETATM   36  O   UNL     1      15.144  -1.365  -0.040  1.00  0.00           O  
HETATM   37  O   UNL     1      13.955  -3.864  -0.605  1.00  0.00           O  
HETATM   38  O   UNL     1      11.179  -3.904  -1.127  1.00  0.00           O  
HETATM   39  C   UNL     1       9.486  -1.971   0.170  1.00  0.00           C  
HETATM   40  N   UNL     1       8.674  -0.760   0.031  1.00  0.00           N  
HETATM   41  N   UNL     1       8.922   0.381   0.572  1.00  0.00           N  
HETATM   42  N   UNL     1       8.013   1.233   0.249  1.00  0.00           N  
HETATM   43  C   UNL     1       7.119   0.632  -0.544  1.00  0.00           C  
HETATM   44  C   UNL     1       7.537  -0.647  -0.695  1.00  0.00           C  
HETATM   45  C   UNL     1       5.892   1.257  -1.155  1.00  0.00           C  
HETATM   46  N   UNL     1       4.786   1.201  -0.195  1.00  0.00           N  
HETATM   47  C   UNL     1       3.580   1.704  -0.525  1.00  0.00           C  
HETATM   48  C   UNL     1       2.443   1.646   0.462  1.00  0.00           C  
HETATM   49  O   UNL     1       3.411   2.204  -1.617  1.00  0.00           O  
HETATM   50  H   UNL     1      -6.682   4.032  -2.095  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.089   3.257  -2.277  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.472   2.317  -1.667  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.562   4.543   0.228  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.401   2.815   0.623  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.615   4.039   1.648  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.739   5.574   0.893  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.328   7.846   0.183  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.541   8.315  -0.783  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.185   6.494  -1.045  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.032   0.746   0.952  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.822   1.379  -0.183  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.505  -1.146   1.063  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.266  -0.532  -0.152  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.950  -3.062   1.095  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.882  -2.543  -1.276  1.00  0.00           H  
HETATM   66  H   UNL     1     -14.222  -4.609  -1.161  1.00  0.00           H  
HETATM   67  H   UNL     1     -13.249  -6.651  -0.191  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.948  -6.640   0.665  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.964  -6.274   1.297  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.538  -5.471   0.596  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.131  -4.989   2.204  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.790  -0.460   0.684  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.449  -0.707   0.087  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.893  -1.560   1.547  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.447  -2.707  -2.316  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.611  -1.371  -2.150  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.923  -1.149  -1.634  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.084   3.342   2.130  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.568   1.758   1.479  1.00  0.00           H  
HETATM   80  H   UNL     1      10.952   0.262   0.714  1.00  0.00           H  
HETATM   81  H   UNL     1      12.988   0.060  -0.688  1.00  0.00           H  
HETATM   82  H   UNL     1      13.412   0.363   1.014  1.00  0.00           H  
HETATM   83  H   UNL     1      13.788  -2.064   1.353  1.00  0.00           H  
HETATM   84  H   UNL     1      13.199  -2.242  -1.637  1.00  0.00           H  
HETATM   85  H   UNL     1      11.738  -3.376   0.791  1.00  0.00           H  
HETATM   86  H   UNL     1      10.938  -1.252  -1.250  1.00  0.00           H  
HETATM   87  H   UNL     1      11.896  -0.617   2.725  1.00  0.00           H  
HETATM   88  H   UNL     1      15.594  -0.731   0.535  1.00  0.00           H  
HETATM   89  H   UNL     1      14.881  -3.747  -0.857  1.00  0.00           H  
HETATM   90  H   UNL     1      11.649  -4.748  -1.163  1.00  0.00           H  
HETATM   91  H   UNL     1       9.082  -2.755  -0.470  1.00  0.00           H  
HETATM   92  H   UNL     1       9.467  -2.303   1.208  1.00  0.00           H  
HETATM   93  H   UNL     1       7.058  -1.421  -1.275  1.00  0.00           H  
HETATM   94  H   UNL     1       6.101   2.297  -1.407  1.00  0.00           H  
HETATM   95  H   UNL     1       5.617   0.712  -2.058  1.00  0.00           H  
HETATM   96  H   UNL     1       4.922   0.800   0.678  1.00  0.00           H  
HETATM   97  H   UNL     1       2.234   0.606   0.714  1.00  0.00           H  
HETATM   98  H   UNL     1       2.718   2.191   1.365  1.00  0.00           H  
HETATM   99  C   UNL     1       1.197   2.281  -0.158  1.00  0.00           C  
HETATM  100  C   UNL     1       0.042   2.221   0.844  1.00  0.00           C  
HETATM  101  C   UNL     1      -1.204   2.856   0.225  1.00  0.00           C  
HETATM  102  C   UNL     1      -2.359   2.797   1.227  1.00  0.00           C  
HETATM  103  H   UNL     1       1.406   3.320  -0.410  1.00  0.00           H  
HETATM  104  H   UNL     1       0.922   1.736  -1.061  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.167   1.182   1.097  1.00  0.00           H  
HETATM  106  H   UNL     1       0.317   2.766   1.747  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.995   3.896  -0.028  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.479   2.311  -0.679  1.00  0.00           H  
CONECT    1   19    2    2    7                                       
CONECT    2    3    1    1   10                                       
CONECT    3    5    4    6    2                                       
CONECT    4   11    3   19   19                                       
CONECT    5    3   50   51   52                                       
CONECT    6    3   53   54   55                                       
CONECT    7    1    8    8   56                                       
CONECT    8    7    7    9   57                                       
CONECT    9   10   10    8   58                                       
CONECT   10    2    9    9   59                                       
CONECT   11   12   12    4   60                                       
CONECT   12   13   11   11   61                                       
CONECT   13   14   14   12   62                                       
CONECT   14   15   13   13   63                                       
CONECT   15   16   16   14   64                                       
CONECT   16   21   17   15   15                                       
CONECT   17   18   16   28   27                                       
CONECT   18   20   20   22   17                                       
CONECT   19    4    4  102    1                                       
CONECT   20   25   21   18   18                                       
CONECT   21   26   20   16                                            
CONECT   22   23   23   18   65                                       
CONECT   23   24   22   22   66                                       
CONECT   24   25   25   23   67                                       
CONECT   25   24   24   20   68                                       
CONECT   26   21   69   70   71                                       
CONECT   27   17   72   73   74                                       
CONECT   28   17   75   76   77                                       
CONECT   29   30   35   34   80                                       
CONECT   30   31   29   81   82                                       
CONECT   31   36   30   32   83                                       
CONECT   32   31   37   33   84                                       
CONECT   33   32   34   38   85                                       
CONECT   34   29   33   39   86                                       
CONECT   35   29   87                                                 
CONECT   36   31   88                                                 
CONECT   37   32   89                                                 
CONECT   38   33   90                                                 
CONECT   39   34   40   91   92                                       
CONECT   40   39   44   41                                            
CONECT   41   40   42   42                                            
CONECT   42   43   41   41                                            
CONECT   43   44   44   45   42                                       
CONECT   44   40   43   43   93                                       
CONECT   45   46   43   94   95                                       
CONECT   46   47   45   96                                            
CONECT   47   48   46   49   49                                       
CONECT   48   47   97   98   99                                       
CONECT   49   47   47                                                 
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78  102                                                      
CONECT   79  102                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
CONECT   99   48  100  103  104                                       
CONECT  100   99  101  105  106                                       
CONECT  101  100  102  107  108                                       
CONECT  102   19   78   79  101                                       
CONECT  103   99                                                      
CONECT  104   99                                                      
CONECT  105  100                                                      
CONECT  106  100                                                      
CONECT  107  101                                                      
CONECT  108  101                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
