COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      60.556   7.344  14.252  1.00  0.00           C  
HETATM    2  C   UNL     1      55.703  -1.196  24.557  1.00  0.00           C  
HETATM    3  C   UNL     1      55.262  -0.956  22.198  1.00  0.00           C  
HETATM    4  C   UNL     1      53.861   2.412  22.502  1.00  0.00           C  
HETATM    5  C   UNL     1      56.575   0.694  23.363  1.00  0.00           C  
HETATM    6  C   UNL     1      56.424  -0.011  24.549  1.00  0.00           C  
HETATM    7  C   UNL     1      52.744   2.405  23.327  1.00  0.00           C  
HETATM    8  C   UNL     1      53.988   3.241  18.770  1.00  0.00           C  
HETATM    9  C   UNL     1      54.399   4.016  17.708  1.00  0.00           C  
HETATM   10  C   UNL     1      55.111   2.596  19.289  1.00  0.00           C  
HETATM   11  N   UNL     1      56.190   2.951  18.554  1.00  0.00           N  
HETATM   12  C   UNL     1      55.754   3.806  17.624  1.00  0.00           C  
HETATM   13  C   UNL     1      56.583   4.418  16.698  1.00  0.00           C  
HETATM   14  C   UNL     1      56.140   5.285  15.726  1.00  0.00           C  
HETATM   15  N   UNL     1      57.917   4.229  16.645  1.00  0.00           N  
HETATM   16  C   UNL     1      58.359   5.011  15.630  1.00  0.00           C  
HETATM   17  C   UNL     1      57.277   5.672  15.057  1.00  0.00           C  
HETATM   18  C   UNL     1      59.754   5.168  15.149  1.00  0.00           C  
HETATM   19  C   UNL     1      59.962   6.120  14.020  1.00  0.00           C  
HETATM   20  C   UNL     1      60.740   8.219  13.186  1.00  0.00           C  
HETATM   21  C   UNL     1      60.334   7.861  11.903  1.00  0.00           C  
HETATM   22  C   UNL     1      59.747   6.627  11.671  1.00  0.00           C  
HETATM   23  C   UNL     1      59.554   5.766  12.740  1.00  0.00           C  
HETATM   24  C   UNL     1      55.073   1.655  20.452  1.00  0.00           C  
HETATM   25  C   UNL     1      53.861   1.669  21.331  1.00  0.00           C  
HETATM   26  C   UNL     1      51.622   1.669  22.982  1.00  0.00           C  
HETATM   27  C   UNL     1      51.631   0.916  21.819  1.00  0.00           C  
HETATM   28  C   UNL     1      52.751   0.916  20.992  1.00  0.00           C  
HETATM   29  C   UNL     1      56.138   0.999  20.926  1.00  0.00           C  
HETATM   30  C   UNL     1      55.982   0.227  22.196  1.00  0.00           C  
HETATM   31  C   UNL     1      55.130  -1.673  23.381  1.00  0.00           C  
HETATM   32  C   UNL     1      57.530   1.146  20.422  1.00  0.00           C  
HETATM   33  C   UNL     1      58.609   0.448  20.971  1.00  0.00           C  
HETATM   34  C   UNL     1      59.742   0.790  20.266  1.00  0.00           C  
HETATM   35  C   UNL     1      59.294   1.684  19.311  1.00  0.00           C  
HETATM   36  N   UNL     1      57.965   1.910  19.391  1.00  0.00           N  
HETATM   37  C   UNL     1      60.126   2.301  18.388  1.00  0.00           C  
HETATM   38  N   UNL     1      59.683   3.176  17.477  1.00  0.00           N  
HETATM   39  C   UNL     1      61.487   2.071  18.295  1.00  0.00           C  
HETATM   40  C   UNL     1      61.897   2.856  17.244  1.00  0.00           C  
HETATM   41  C   UNL     1      60.772   3.545  16.768  1.00  0.00           C  
HETATM   42  C   UNL     1      60.820   4.540  15.658  1.00  0.00           C  
HETATM   43  C   UNL     1      62.181   4.920  15.163  1.00  0.00           C  
HETATM   44  C   UNL     1      62.649   4.420  13.953  1.00  0.00           C  
HETATM   45  C   UNL     1      62.996   5.719  15.938  1.00  0.00           C  
HETATM   46  C   UNL     1      64.270   6.058  15.480  1.00  0.00           C  
HETATM   47  C   UNL     1      64.734   5.574  14.263  1.00  0.00           C  
HETATM   48  C   UNL     1      63.925   4.735  13.513  1.00  0.00           C  
HETATM   49 CO   UNL     1      57.904   3.092  17.951  1.00  0.00          Co  
HETATM   50  H   UNL     1      60.874   7.619  15.247  1.00  0.00           H  
HETATM   51  H   UNL     1      55.586  -1.750  25.477  1.00  0.00           H  
HETATM   52  H   UNL     1      54.807  -1.318  21.288  1.00  0.00           H  
HETATM   53  H   UNL     1      54.729   2.995  22.772  1.00  0.00           H  
HETATM   54  H   UNL     1      57.154   1.606  23.347  1.00  0.00           H  
HETATM   55  H   UNL     1      56.866   0.361  25.461  1.00  0.00           H  
HETATM   56  H   UNL     1      52.750   2.977  24.243  1.00  0.00           H  
HETATM   57  H   UNL     1      52.976   3.149  19.136  1.00  0.00           H  
HETATM   58  H   UNL     1      53.790   4.649  17.080  1.00  0.00           H  
HETATM   59  H   UNL     1      55.123   5.593  15.531  1.00  0.00           H  
HETATM   60  H   UNL     1      57.322   6.367  14.232  1.00  0.00           H  
HETATM   61  H   UNL     1      61.200   9.181  13.355  1.00  0.00           H  
HETATM   62  H   UNL     1      60.477   8.549  11.083  1.00  0.00           H  
HETATM   63  H   UNL     1      59.445   6.341  10.674  1.00  0.00           H  
HETATM   64  H   UNL     1      59.081   4.809  12.576  1.00  0.00           H  
HETATM   65  H   UNL     1      50.747   1.682  23.615  1.00  0.00           H  
HETATM   66  H   UNL     1      50.766   0.327  21.553  1.00  0.00           H  
HETATM   67  H   UNL     1      52.753   0.328  20.086  1.00  0.00           H  
HETATM   68  H   UNL     1      54.581  -2.603  23.388  1.00  0.00           H  
HETATM   69  H   UNL     1      58.563  -0.239  21.803  1.00  0.00           H  
HETATM   70  H   UNL     1      60.751   0.439  20.423  1.00  0.00           H  
HETATM   71  H   UNL     1      62.091   1.421  18.910  1.00  0.00           H  
HETATM   72  H   UNL     1      62.902   2.929  16.856  1.00  0.00           H  
HETATM   73  H   UNL     1      62.015   3.783  13.353  1.00  0.00           H  
HETATM   74  H   UNL     1      62.650   6.081  16.895  1.00  0.00           H  
HETATM   75  H   UNL     1      64.900   6.701  16.076  1.00  0.00           H  
HETATM   76  H   UNL     1      65.715   5.849  13.905  1.00  0.00           H  
HETATM   77  H   UNL     1      64.290   4.325  12.583  1.00  0.00           H  
CONECT    1   19   19   20   50                                       
CONECT    2    6    6   31   51                                       
CONECT    3   30   31   31   52                                       
CONECT    4    7    7   25   53                                       
CONECT    5    6   30   30   54                                       
CONECT    6    2    2    5   55                                       
CONECT    7    4    4   26   56                                       
CONECT    8    9    9   10   57                                       
CONECT    9    8    8   12   58                                       
CONECT   10    8   11   11   24                                       
CONECT   11   10   10   12   49                                       
CONECT   12    9   11   13   13                                       
CONECT   13   12   12   14   15                                       
CONECT   14   13   17   17   59                                       
CONECT   15   13   16   49                                            
CONECT   16   15   17   18   18                                       
CONECT   17   14   14   16   60                                       
CONECT   18   16   16   19   42                                       
CONECT   19    1    1   18   23                                       
CONECT   20    1   21   21   61                                       
CONECT   21   20   20   22   62                                       
CONECT   22   21   23   23   63                                       
CONECT   23   19   22   22   64                                       
CONECT   24   10   25   29   29                                       
CONECT   25    4   24   28   28                                       
CONECT   26    7   27   27   65                                       
CONECT   27   26   26   28   66                                       
CONECT   28   25   25   27   67                                       
CONECT   29   24   24   30   32                                       
CONECT   30    3    5    5   29                                       
CONECT   31    2    3    3   68                                       
CONECT   32   29   33   33   36                                       
CONECT   33   32   32   34   69                                       
CONECT   34   33   35   35   70                                       
CONECT   35   34   34   36   37                                       
CONECT   36   32   35   49                                            
CONECT   37   35   38   38   39                                       
CONECT   38   37   37   41   49                                       
CONECT   39   37   40   40   71                                       
CONECT   40   39   39   41   72                                       
CONECT   41   38   40   42   42                                       
CONECT   42   18   41   41   43                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43   48   73                                       
CONECT   45   43   46   46   74                                       
CONECT   46   45   45   47   75                                       
CONECT   47   46   48   48   76                                       
CONECT   48   44   47   47   77                                       
CONECT   49   11   15   36   38                                       
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   14                                                      
CONECT   60   17                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   44                                                      
CONECT   74   45                                                      
CONECT   75   46                                                      
CONECT   76   47                                                      
CONECT   77   48                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
