COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.772   3.694  -3.543  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.587   3.090  -2.150  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.955   2.895  -1.492  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.607   4.259  -1.258  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.779   2.177  -0.153  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.008   0.932  -0.358  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.569   0.012  -1.194  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.659   0.214  -1.686  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.133   1.840   0.418  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.109   1.781  -0.299  1.00  0.00           O  
HETATM   11  N   UNL     1      -4.238   1.601   1.758  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.604   1.383   2.281  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.428   0.638   1.232  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.464  -0.245   1.935  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.336  -1.585   1.442  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.257  -1.816   0.646  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.047  -2.189   1.213  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.940  -2.386   0.411  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.364  -1.685  -0.731  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.253  -1.884  -1.528  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.038  -2.216  -0.958  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.817  -2.372  -1.826  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.818  -1.259  -1.500  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.018  -1.646  -0.335  1.00  0.00           N  
HETATM   25  C   UNL     1       0.209  -1.117  -0.154  1.00  0.00           C  
HETATM   26  O   UNL     1       0.650  -0.321  -0.956  1.00  0.00           O  
HETATM   27  C   UNL     1       1.032  -1.515   1.043  1.00  0.00           C  
HETATM   28  C   UNL     1       0.929  -0.432   2.120  1.00  0.00           C  
HETATM   29  C   UNL     1       2.141   0.462   2.041  1.00  0.00           C  
HETATM   30  C   UNL     1       2.204   1.455   1.081  1.00  0.00           C  
HETATM   31  C   UNL     1       3.316   2.271   1.002  1.00  0.00           C  
HETATM   32  C   UNL     1       3.187   0.286   2.928  1.00  0.00           C  
HETATM   33  C   UNL     1       4.301   1.100   2.854  1.00  0.00           C  
HETATM   34  C   UNL     1       4.369   2.094   1.888  1.00  0.00           C  
HETATM   35  O   UNL     1       5.467   2.891   1.808  1.00  0.00           O  
HETATM   36  C   UNL     1       6.601   2.364   1.115  1.00  0.00           C  
HETATM   37  C   UNL     1       6.271   2.233  -0.374  1.00  0.00           C  
HETATM   38  C   UNL     1       7.245   1.250  -1.027  1.00  0.00           C  
HETATM   39  C   UNL     1       6.524   0.481  -2.136  1.00  0.00           C  
HETATM   40  C   UNL     1       5.933  -0.784  -1.569  1.00  0.00           C  
HETATM   41  O   UNL     1       6.639  -1.611  -1.031  1.00  0.00           O  
HETATM   42  N   UNL     1       4.581  -0.978  -1.673  1.00  0.00           N  
HETATM   43  C   UNL     1       4.098  -2.256  -1.094  1.00  0.00           C  
HETATM   44  C   UNL     1       4.978  -2.646   0.096  1.00  0.00           C  
HETATM   45  C   UNL     1       5.080  -1.465   1.063  1.00  0.00           C  
HETATM   46  C   UNL     1       4.359  -3.845   0.817  1.00  0.00           C  
HETATM   47  C   UNL     1       2.676  -2.067  -0.631  1.00  0.00           C  
HETATM   48  O   UNL     1       1.750  -2.279  -1.384  1.00  0.00           O  
HETATM   49  N   UNL     1       2.449  -1.655   0.647  1.00  0.00           N  
HETATM   50  H   UNL     1      -2.376   3.023  -4.153  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.274   4.658  -3.457  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.797   3.833  -4.011  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.084   2.126  -2.235  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.983   3.761  -1.539  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.589   2.296  -2.145  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.975   4.856  -0.601  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.727   4.773  -2.212  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.584   4.120  -0.795  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.244   2.826   0.540  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.155   0.779   0.076  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.459   1.576   2.335  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.554   0.790   3.194  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.070   2.345   2.495  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.938   1.358   0.592  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.769   0.015   0.627  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.286  -0.232   3.010  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.466   0.128   1.724  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.971  -2.326   2.282  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.997  -2.672   0.853  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.313  -1.430  -1.178  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.334  -1.779  -2.600  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.356  -3.342  -1.635  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.106  -2.306  -2.875  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.162  -1.096  -2.355  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.371  -2.282   0.306  1.00  0.00           H  
HETATM   76  H   UNL     1       0.665  -2.461   1.441  1.00  0.00           H  
HETATM   77  H   UNL     1       0.029   0.161   1.957  1.00  0.00           H  
HETATM   78  H   UNL     1       0.885  -0.899   3.104  1.00  0.00           H  
HETATM   79  H   UNL     1       1.384   1.592   0.393  1.00  0.00           H  
HETATM   80  H   UNL     1       3.365   3.046   0.252  1.00  0.00           H  
HETATM   81  H   UNL     1       3.134  -0.488   3.679  1.00  0.00           H  
HETATM   82  H   UNL     1       5.118   0.963   3.547  1.00  0.00           H  
HETATM   83  H   UNL     1       7.449   3.036   1.241  1.00  0.00           H  
HETATM   84  H   UNL     1       6.851   1.383   1.519  1.00  0.00           H  
HETATM   85  H   UNL     1       5.252   1.865  -0.489  1.00  0.00           H  
HETATM   86  H   UNL     1       6.363   3.207  -0.853  1.00  0.00           H  
HETATM   87  H   UNL     1       8.085   1.799  -1.453  1.00  0.00           H  
HETATM   88  H   UNL     1       7.611   0.549  -0.278  1.00  0.00           H  
HETATM   89  H   UNL     1       5.727   1.100  -2.549  1.00  0.00           H  
HETATM   90  H   UNL     1       7.234   0.229  -2.924  1.00  0.00           H  
HETATM   91  H   UNL     1       3.988  -0.334  -2.091  1.00  0.00           H  
HETATM   92  H   UNL     1       4.138  -3.039  -1.851  1.00  0.00           H  
HETATM   93  H   UNL     1       5.973  -2.911  -0.260  1.00  0.00           H  
HETATM   94  H   UNL     1       4.348  -1.586   1.862  1.00  0.00           H  
HETATM   95  H   UNL     1       6.082  -1.431   1.491  1.00  0.00           H  
HETATM   96  H   UNL     1       4.882  -0.537   0.527  1.00  0.00           H  
HETATM   97  H   UNL     1       4.161  -4.639   0.098  1.00  0.00           H  
HETATM   98  H   UNL     1       5.049  -4.207   1.579  1.00  0.00           H  
HETATM   99  H   UNL     1       3.424  -3.541   1.289  1.00  0.00           H  
HETATM  100  H   UNL     1       3.175  -1.464   1.262  1.00  0.00           H  
CONECT    1    2   50   51   52                                       
CONECT    2    1    3   53   54                                       
CONECT    3    2    4    5   55                                       
CONECT    4    3   56   57   58                                       
CONECT    5    3    6    9   59                                       
CONECT    6    5    7   60                                            
CONECT    7    6    8    8   23                                       
CONECT    8    7    7                                                 
CONECT    9    5   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   61                                            
CONECT   12   11   13   62   63                                       
CONECT   13   12   14   64   65                                       
CONECT   14   13   15   66   67                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   68                                       
CONECT   18   17   21   21   69                                       
CONECT   19   16   20   20   70                                       
CONECT   20   19   19   21   71                                       
CONECT   21   18   18   20   22                                       
CONECT   22   21   23   72   73                                       
CONECT   23    7   22   24   74                                       
CONECT   24   23   25   75                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   49   76                                       
CONECT   28   27   29   77   78                                       
CONECT   29   28   30   30   32                                       
CONECT   30   29   29   31   79                                       
CONECT   31   30   34   34   80                                       
CONECT   32   29   33   33   81                                       
CONECT   33   32   32   34   82                                       
CONECT   34   31   31   33   35                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   83   84                                       
CONECT   37   36   38   85   86                                       
CONECT   38   37   39   87   88                                       
CONECT   39   38   40   89   90                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43   91                                            
CONECT   43   42   44   47   92                                       
CONECT   44   43   45   46   93                                       
CONECT   45   44   94   95   96                                       
CONECT   46   44   97   98   99                                       
CONECT   47   43   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   27   47  100                                            
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   46                                                      
CONECT  100   49                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
