COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.681   2.592  -2.558  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.163   2.479  -1.147  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.822   1.299  -0.662  1.00  0.00           C  
HETATM    4  N   UNL     1      -8.344   1.195   0.638  1.00  0.00           N  
HETATM    5  C   UNL     1      -8.218   2.394   1.471  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.965  -0.113   1.177  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.509  -0.373   0.889  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.021  -0.901  -0.275  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.835  -1.297  -1.426  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.498  -0.116   1.735  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.262  -0.517   1.059  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.912  -0.496   1.417  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.647  -1.004  -0.202  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.676  -1.462  -1.086  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.348  -1.440  -0.722  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.963  -0.959   0.527  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.647  -0.941   0.870  1.00  0.00           O  
HETATM   18  C   UNL     1       0.282  -1.435  -0.097  1.00  0.00           C  
HETATM   19  C   UNL     1       1.702  -1.335   0.463  1.00  0.00           C  
HETATM   20  H   UNL     1      -8.924   2.229  -3.253  1.00  0.00           H  
HETATM   21  H   UNL     1     -10.586   1.993  -2.661  1.00  0.00           H  
HETATM   22  H   UNL     1      -9.908   3.634  -2.779  1.00  0.00           H  
HETATM   23  H   UNL     1      -9.070   3.362  -0.534  1.00  0.00           H  
HETATM   24  H   UNL     1      -8.914   0.416  -1.276  1.00  0.00           H  
HETATM   25  H   UNL     1      -9.146   2.555   2.019  1.00  0.00           H  
HETATM   26  H   UNL     1      -7.397   2.263   2.176  1.00  0.00           H  
HETATM   27  H   UNL     1      -8.017   3.258   0.836  1.00  0.00           H  
HETATM   28  H   UNL     1      -8.130  -0.124   2.254  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.572  -0.888   0.709  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.945  -0.449  -2.102  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.347  -2.119  -1.951  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.818  -1.618  -1.083  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.581   0.308   2.725  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.612  -0.119   2.384  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.963  -1.836  -2.058  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.598  -1.797  -1.412  1.00  0.00           H  
HETATM   37  H   UNL     1       0.052  -2.476  -0.323  1.00  0.00           H  
HETATM   38  H   UNL     1       0.208  -0.841  -1.008  1.00  0.00           H  
HETATM   39  H   UNL     1       1.931  -0.294   0.688  1.00  0.00           H  
HETATM   40  H   UNL     1       1.776  -1.929   1.374  1.00  0.00           H  
HETATM   41  C   UNL     1       2.696  -1.864  -0.573  1.00  0.00           C  
HETATM   42  C   UNL     1       4.117  -1.765  -0.013  1.00  0.00           C  
HETATM   43  C   UNL     1       5.100  -2.407  -0.995  1.00  0.00           C  
HETATM   44  C   UNL     1       6.525  -2.251  -0.458  1.00  0.00           C  
HETATM   45  N   UNL     1       6.833  -0.825  -0.292  1.00  0.00           N  
HETATM   46  C   UNL     1       5.931  -0.197   0.683  1.00  0.00           C  
HETATM   47  C   UNL     1       4.489  -0.292   0.180  1.00  0.00           C  
HETATM   48  C   UNL     1       8.238  -0.631   0.090  1.00  0.00           C  
HETATM   49  C   UNL     1       8.582   0.835   0.012  1.00  0.00           C  
HETATM   50  C   UNL     1       8.410   1.644   1.119  1.00  0.00           C  
HETATM   51  C   UNL     1       8.725   2.989   1.048  1.00  0.00           C  
HETATM   52  C   UNL     1       9.212   3.523  -0.130  1.00  0.00           C  
HETATM   53  C   UNL     1       9.385   2.713  -1.237  1.00  0.00           C  
HETATM   54  C   UNL     1       9.074   1.368  -1.164  1.00  0.00           C  
HETATM   55  H   UNL     1       2.467  -2.906  -0.798  1.00  0.00           H  
HETATM   56  H   UNL     1       2.623  -1.270  -1.484  1.00  0.00           H  
HETATM   57  H   UNL     1       4.168  -2.283   0.945  1.00  0.00           H  
HETATM   58  H   UNL     1       4.866  -3.466  -1.104  1.00  0.00           H  
HETATM   59  H   UNL     1       5.020  -1.915  -1.964  1.00  0.00           H  
HETATM   60  H   UNL     1       6.608  -2.755   0.504  1.00  0.00           H  
HETATM   61  H   UNL     1       7.229  -2.695  -1.162  1.00  0.00           H  
HETATM   62  H   UNL     1       6.017  -0.711   1.640  1.00  0.00           H  
HETATM   63  H   UNL     1       6.204   0.851   0.807  1.00  0.00           H  
HETATM   64  H   UNL     1       4.399   0.233  -0.771  1.00  0.00           H  
HETATM   65  H   UNL     1       3.818   0.160   0.911  1.00  0.00           H  
HETATM   66  H   UNL     1       8.390  -0.986   1.109  1.00  0.00           H  
HETATM   67  H   UNL     1       8.880  -1.191  -0.590  1.00  0.00           H  
HETATM   68  H   UNL     1       8.029   1.227   2.040  1.00  0.00           H  
HETATM   69  H   UNL     1       8.590   3.621   1.913  1.00  0.00           H  
HETATM   70  H   UNL     1       9.458   4.573  -0.185  1.00  0.00           H  
HETATM   71  H   UNL     1       9.766   3.131  -2.157  1.00  0.00           H  
HETATM   72  H   UNL     1       9.209   0.735  -2.029  1.00  0.00           H  
CONECT    1    2   20   21   22                                       
CONECT    2    1    3    3   23                                       
CONECT    3    2    2    4   24                                       
CONECT    4    3    6    5                                            
CONECT    5    4   25   26   27                                       
CONECT    6    4    7   28   29                                       
CONECT    7    6    8   10   10                                       
CONECT    8    7    9   13                                            
CONECT    9    8   30   31   32                                       
CONECT   10    7    7   11   33                                       
CONECT   11   10   13   13   12                                       
CONECT   12   11   16   16   34                                       
CONECT   13    8   11   11   14                                       
CONECT   14   13   15   15   35                                       
CONECT   15   14   14   16   36                                       
CONECT   16   12   12   15   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   37   38                                       
CONECT   19   18   39   40   41                                       
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   19   42   55   56                                       
CONECT   42   41   43   47   57                                       
CONECT   43   42   44   58   59                                       
CONECT   44   43   45   60   61                                       
CONECT   45   44   46   48                                            
CONECT   46   45   47   62   63                                       
CONECT   47   46   42   64   65                                       
CONECT   48   45   49   66   67                                       
CONECT   49   48   50   54   54                                       
CONECT   50   49   51   51   68                                       
CONECT   51   50   50   52   69                                       
CONECT   52   51   53   53   70                                       
CONECT   53   52   52   54   71                                       
CONECT   54   53   49   49   72                                       
CONECT   55   41                                                      
CONECT   56   41                                                      
CONECT   57   42                                                      
CONECT   58   43                                                      
CONECT   59   43                                                      
CONECT   60   44                                                      
CONECT   61   44                                                      
CONECT   62   46                                                      
CONECT   63   46                                                      
CONECT   64   47                                                      
CONECT   65   47                                                      
CONECT   66   48                                                      
CONECT   67   48                                                      
CONECT   68   50                                                      
CONECT   69   51                                                      
CONECT   70   52                                                      
CONECT   71   53                                                      
CONECT   72   54                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
