COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.954   3.720  -4.361  1.00  0.00           C  
HETATM    2  C   UNL     1       3.982   3.836  -3.185  1.00  0.00           C  
HETATM    3  C   UNL     1       2.977   2.482  -1.511  1.00  0.00           C  
HETATM    4  C   UNL     1       2.339   3.618  -1.068  1.00  0.00           C  
HETATM    5  C   UNL     1       1.473   3.550   0.033  1.00  0.00           C  
HETATM    6  C   UNL     1       1.267   2.305   0.677  1.00  0.00           C  
HETATM    7  C   UNL     1       0.392   2.243   1.787  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.966   0.285   2.128  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.642   0.504   0.935  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.750  -0.257   0.620  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.188  -1.241   1.494  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.843  -1.818  -0.039  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.126  -1.355  -0.147  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.688  -1.185  -1.423  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.922  -0.783  -3.162  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.673  -1.936  -2.420  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.110  -2.109  -1.206  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.513  -1.461   2.687  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.989  -2.530   3.636  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.404  -0.701   3.003  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.232   3.431   2.196  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.128   3.430   3.314  1.00  0.00           C  
HETATM   23  C   UNL     1       0.031   4.621   1.499  1.00  0.00           C  
HETATM   24  C   UNL     1       1.925   1.158   0.212  1.00  0.00           C  
HETATM   25  C   UNL     1       2.767   1.248  -0.875  1.00  0.00           C  
HETATM   26  C   UNL     1       3.764  -0.876  -0.481  1.00  0.00           C  
HETATM   27  C   UNL     1       4.549  -2.028  -0.950  1.00  0.00           C  
HETATM   28  C   UNL     1       4.884  -2.995  -0.101  1.00  0.00           C  
HETATM   29  C   UNL     1       5.688  -4.176  -0.582  1.00  0.00           C  
HETATM   30  C   UNL     1       6.547  -4.670   1.627  1.00  0.00           C  
HETATM   31  C   UNL     1       7.818  -5.300  -0.336  1.00  0.00           C  
HETATM   32  N   UNL     1       0.160   1.052   2.445  1.00  0.00           N  
HETATM   33  N   UNL     1      -7.878  -0.763  -1.837  1.00  0.00           N  
HETATM   34  N   UNL     1      -6.777  -1.212  -3.635  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.950  -1.482  -2.534  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.838   3.429   4.200  1.00  0.00           N  
HETATM   37  N   UNL     1       0.844   4.650   0.474  1.00  0.00           N  
HETATM   38  N   UNL     1       3.425   0.104  -1.341  1.00  0.00           N  
HETATM   39  N   UNL     1       6.894  -4.316   0.244  1.00  0.00           N  
HETATM   40  O   UNL     1       3.815   2.553  -2.578  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.279  -1.990   1.183  1.00  0.00           O  
HETATM   42  O   UNL     1       3.421  -0.808   0.684  1.00  0.00           O  
HETATM   43  H   UNL     1       5.918   3.359  -4.002  1.00  0.00           H  
HETATM   44  H   UNL     1       4.555   3.019  -5.095  1.00  0.00           H  
HETATM   45  H   UNL     1       5.082   4.698  -4.825  1.00  0.00           H  
HETATM   46  H   UNL     1       4.382   4.536  -2.452  1.00  0.00           H  
HETATM   47  H   UNL     1       3.019   4.196  -3.545  1.00  0.00           H  
HETATM   48  H   UNL     1       2.505   4.560  -1.568  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.302   1.270   0.254  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.276  -0.087  -0.308  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.700  -1.123   0.738  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.772  -0.489  -3.760  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.104  -2.161  -3.310  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.095  -2.470  -1.129  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.499  -3.473   3.397  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.744  -2.243   4.659  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.069  -2.646   3.541  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.877  -0.875   3.929  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.451   5.534   1.815  1.00  0.00           H  
HETATM   60  H   UNL     1       1.770   0.208   0.700  1.00  0.00           H  
HETATM   61  H   UNL     1       4.853  -2.088  -1.985  1.00  0.00           H  
HETATM   62  H   UNL     1       4.579  -2.935   0.933  1.00  0.00           H  
HETATM   63  H   UNL     1       5.086  -5.081  -0.504  1.00  0.00           H  
HETATM   64  H   UNL     1       5.975  -4.020  -1.622  1.00  0.00           H  
HETATM   65  H   UNL     1       7.453  -4.698   2.232  1.00  0.00           H  
HETATM   66  H   UNL     1       5.863  -3.924   2.032  1.00  0.00           H  
HETATM   67  H   UNL     1       6.069  -5.649   1.642  1.00  0.00           H  
HETATM   68  H   UNL     1       7.323  -6.269  -0.399  1.00  0.00           H  
HETATM   69  H   UNL     1       8.113  -4.977  -1.334  1.00  0.00           H  
HETATM   70  H   UNL     1       8.702  -5.384   0.295  1.00  0.00           H  
HETATM   71  H   UNL     1       0.778   0.747   3.128  1.00  0.00           H  
HETATM   72  H   UNL     1       3.637   0.017  -2.284  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2   40    1   46   47                                       
CONECT    3   25   25    4   40                                       
CONECT    4    5    5    3   48                                       
CONECT    5    6   37    4    4                                       
CONECT    6    7   24   24    5                                       
CONECT    7   32   21   21    6                                       
CONECT    8    9    9   20   32                                       
CONECT    9   10    8    8   49                                       
CONECT   10   11   11    9   50                                       
CONECT   11   41   10   10   18                                       
CONECT   12   17   41   13   13                                       
CONECT   13   12   12   14   51                                       
CONECT   14   35   13   33   33                                       
CONECT   15   34   34   33   52                                       
CONECT   16   17   17   35   53                                       
CONECT   17   16   16   12   54                                       
CONECT   18   11   20   20   19                                       
CONECT   19   18   55   56   57                                       
CONECT   20   18   18    8   58                                       
CONECT   21   22    7    7   23                                       
CONECT   22   36   36   36   21                                       
CONECT   23   21   37   37   59                                       
CONECT   24    6    6   25   60                                       
CONECT   25   24   38    3    3                                       
CONECT   26   42   42   27   38                                       
CONECT   27   28   28   26   61                                       
CONECT   28   29   27   27   62                                       
CONECT   29   39   28   63   64                                       
CONECT   30   39   65   66   67                                       
CONECT   31   39   68   69   70                                       
CONECT   32    8    7   71                                            
CONECT   33   15   14   14                                            
CONECT   34   35   15   15                                            
CONECT   35   16   34   14                                            
CONECT   36   22   22   22                                            
CONECT   37   23   23    5                                            
CONECT   38   26   25   72                                            
CONECT   39   31   30   29                                            
CONECT   40    3    2                                                 
CONECT   41   12   11                                                 
CONECT   42   26   26                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
