COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.082  -0.015   0.157  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.432  -0.357  -0.558  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.673   3.881  -0.536  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.718   4.850  -0.566  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.693   4.846   0.395  1.00  0.00           C  
HETATM    6  C   UNL     1       1.287   5.796   1.343  1.00  0.00           C  
HETATM    7  C   UNL     1       0.356   3.826   2.343  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.672   2.845   1.381  1.00  0.00           C  
HETATM    9  O   UNL     1       8.691   0.181  -1.637  1.00  0.00           O  
HETATM   10  C   UNL     1       8.771  -0.656  -0.762  1.00  0.00           C  
HETATM   11  N   UNL     1       9.979  -1.114  -0.378  1.00  0.00           N  
HETATM   12  C   UNL     1       7.521  -1.183  -0.106  1.00  0.00           C  
HETATM   13  N   UNL     1       6.349  -0.533  -0.696  1.00  0.00           N  
HETATM   14  C   UNL     1       5.113  -0.850  -0.263  1.00  0.00           C  
HETATM   15  O   UNL     1       4.971  -1.674   0.616  1.00  0.00           O  
HETATM   16  C   UNL     1       3.906  -0.181  -0.869  1.00  0.00           C  
HETATM   17  N   UNL     1       2.691  -0.694  -0.232  1.00  0.00           N  
HETATM   18  C   UNL     1       1.484  -0.236  -0.616  1.00  0.00           C  
HETATM   19  O   UNL     1       1.403   0.601  -1.490  1.00  0.00           O  
HETATM   20  C   UNL     1       0.234  -0.763   0.040  1.00  0.00           C  
HETATM   21  C   UNL     1       0.142  -2.275  -0.179  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.058  -2.829   0.591  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.150  -4.341   0.373  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.299  -4.872   1.109  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.584  -6.216   1.063  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.662  -6.715   1.755  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.831  -7.018   0.364  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.939  -0.113  -0.550  1.00  0.00           N  
HETATM   29  O   UNL     1      -2.139  -0.462   1.283  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.289   0.654  -0.450  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.585   0.266  -1.303  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.752  -0.399  -1.416  1.00  0.00           N  
HETATM   33  O   UNL     1      -7.834   0.186  -2.117  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.462   1.365  -1.801  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.723   1.823   0.436  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.650   2.881   0.435  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.669   3.829   1.382  1.00  0.00           C  
HETATM   38  C   UNL     1       1.310   4.796   2.314  1.00  0.00           C  
HETATM   39  C   UNL     1       0.310   5.831   0.396  1.00  0.00           C  
HETATM   40  H   UNL     1      -4.087  -1.240  -1.095  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.759  -0.644   0.442  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.462   3.888  -1.273  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.749   5.619  -1.324  1.00  0.00           H  
HETATM   44  H   UNL     1       2.056   6.554   1.342  1.00  0.00           H  
HETATM   45  H   UNL     1       0.386   3.057   3.101  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.668   2.064   2.127  1.00  0.00           H  
HETATM   47  H   UNL     1      10.784  -0.774  -0.800  1.00  0.00           H  
HETATM   48  H   UNL     1      10.044  -1.783   0.321  1.00  0.00           H  
HETATM   49  H   UNL     1       7.456  -2.260  -0.262  1.00  0.00           H  
HETATM   50  H   UNL     1       7.555  -0.972   0.962  1.00  0.00           H  
HETATM   51  H   UNL     1       6.462   0.126  -1.399  1.00  0.00           H  
HETATM   52  H   UNL     1       3.972   0.896  -0.714  1.00  0.00           H  
HETATM   53  H   UNL     1       3.873  -0.392  -1.938  1.00  0.00           H  
HETATM   54  H   UNL     1       2.756  -1.363   0.467  1.00  0.00           H  
HETATM   55  H   UNL     1       0.267  -0.552   1.108  1.00  0.00           H  
HETATM   56  H   UNL     1       0.019  -2.481  -1.242  1.00  0.00           H  
HETATM   57  H   UNL     1       1.055  -2.750   0.181  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.935  -2.623   1.654  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.971  -2.355   0.231  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.273  -4.548  -0.691  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.237  -4.816   0.732  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.859  -4.275   1.630  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.223  -6.118   2.275  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.863  -7.663   1.722  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.070  -6.667  -0.124  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.893   0.248  -1.449  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.037   1.025  -1.444  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.850  -1.278  -1.018  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.628  -0.365  -2.145  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.651   2.246   0.051  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.882   1.468   1.454  1.00  0.00           H  
HETATM   72  H   UNL     1       2.097   4.791   3.053  1.00  0.00           H  
HETATM   73  H   UNL     1       0.305   6.612  -0.350  1.00  0.00           H  
CONECT    1   28   30   29   29                                       
CONECT    2   31   30   40   41                                       
CONECT    3    4    4   36   42                                       
CONECT    4    3    3    5   43                                       
CONECT    5    4   39   39   37                                       
CONECT    6   39   38   38   44                                       
CONECT    7   37   37   38   45                                       
CONECT    8   36   36   37   46                                       
CONECT    9   10   10                                                 
CONECT   10    9    9   11   12                                       
CONECT   11   10   47   48                                            
CONECT   12   10   13   49   50                                       
CONECT   13   12   14   51                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   52   53                                       
CONECT   17   16   18   54                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   28   55                                       
CONECT   21   20   22   56   57                                       
CONECT   22   21   23   58   59                                       
CONECT   23   22   24   60   61                                       
CONECT   24   23   25   62                                            
CONECT   25   24   26   27   27                                       
CONECT   26   25   63   64                                            
CONECT   27   25   25   65                                            
CONECT   28    1   20   66                                            
CONECT   29    1    1                                                 
CONECT   30    1    2   35   67                                       
CONECT   31    2   34   34   32                                       
CONECT   32   31   33   68                                            
CONECT   33   32   69                                                 
CONECT   34   31   31                                                 
CONECT   35   30   36   70   71                                       
CONECT   36    3    8    8   35                                       
CONECT   37    5    7    7    8                                       
CONECT   38    6    6    7   72                                       
CONECT   39    5    5    6   73                                       
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
