COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.564  -3.670   0.414  1.00  0.00           O  
HETATM    2  C   UNL     1       1.001  -2.601   0.058  1.00  0.00           C  
HETATM    3  N   UNL     1       2.241  -2.359  -0.415  1.00  0.00           N  
HETATM    4  C   UNL     1       2.541  -1.010  -0.325  1.00  0.00           C  
HETATM    5  C   UNL     1       3.747  -0.343  -0.524  1.00  0.00           C  
HETATM    6  O   UNL     1       4.877  -1.017  -0.848  1.00  0.00           O  
HETATM    7  C   UNL     1       5.962  -0.946  -0.064  1.00  0.00           C  
HETATM    8  C   UNL     1       6.447   0.100   0.517  1.00  0.00           C  
HETATM    9  C   UNL     1       5.987   1.519   0.392  1.00  0.00           C  
HETATM   10  C   UNL     1       7.180   2.378  -0.034  1.00  0.00           C  
HETATM   11  C   UNL     1       5.519   1.997   1.765  1.00  0.00           C  
HETATM   12  O   UNL     1       4.936   1.719  -0.545  1.00  0.00           O  
HETATM   13  C   UNL     1       3.783   1.029  -0.353  1.00  0.00           C  
HETATM   14  C   UNL     1       2.645   1.720   0.037  1.00  0.00           C  
HETATM   15  C   UNL     1       1.435   1.067   0.243  1.00  0.00           C  
HETATM   16  C   UNL     1       1.383  -0.293   0.022  1.00  0.00           C  
HETATM   17  C   UNL     1       0.255  -1.279   0.052  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.594  -1.165   1.321  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.693  -1.210  -1.144  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.564  -2.487  -1.995  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.375  -0.008  -2.030  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.095  -1.156  -0.540  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.209  -0.431  -1.284  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.919   0.485  -0.289  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.239  -0.239   0.998  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.332  -0.327   1.517  1.00  0.00           O  
HETATM   27  N   UNL     1      -3.125  -0.798   1.591  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.174  -1.571   2.836  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.884  -0.519   0.837  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.773   1.000   0.723  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.958   1.554   0.056  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.788   2.477   0.850  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.143   2.487   0.136  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.082   1.305  -0.838  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.396   0.538  -0.881  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.757   1.786  -2.151  1.00  0.00           O  
HETATM   37  H   UNL     1       2.834  -3.035  -0.773  1.00  0.00           H  
HETATM   38  H   UNL     1       6.493  -1.875   0.112  1.00  0.00           H  
HETATM   39  H   UNL     1       7.302  -0.064   1.156  1.00  0.00           H  
HETATM   40  H   UNL     1       7.984   2.269   0.693  1.00  0.00           H  
HETATM   41  H   UNL     1       7.530   2.054  -1.014  1.00  0.00           H  
HETATM   42  H   UNL     1       6.876   3.424  -0.085  1.00  0.00           H  
HETATM   43  H   UNL     1       6.345   1.933   2.473  1.00  0.00           H  
HETATM   44  H   UNL     1       5.179   3.030   1.694  1.00  0.00           H  
HETATM   45  H   UNL     1       4.698   1.367   2.108  1.00  0.00           H  
HETATM   46  H   UNL     1       2.691   2.792   0.175  1.00  0.00           H  
HETATM   47  H   UNL     1       0.587   1.634   0.589  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.778  -2.157   1.741  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.097  -0.534   2.062  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.793  -3.358  -1.380  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.263  -2.439  -2.831  1.00  0.00           H  
HETATM   52  H   UNL     1       0.453  -2.569  -2.376  1.00  0.00           H  
HETATM   53  H   UNL     1       0.676  -0.036  -2.318  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.997  -0.040  -2.924  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.576   0.912  -1.480  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.428  -2.197  -0.379  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.851   0.151  -2.125  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.933  -1.169  -1.661  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.203  -1.621   3.191  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.804  -2.579   2.652  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.553  -1.086   3.589  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.688   1.432   1.721  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.902   1.267   0.134  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.892   2.113   1.874  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.345   3.476   0.850  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.952   2.354   0.854  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.270   3.422  -0.414  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.191   1.198  -1.227  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.301  -0.307  -1.564  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.636   0.173   0.118  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.408   2.401  -2.516  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   17    1    1    3                                       
CONECT    3    2    4   37                                            
CONECT    4   16    3    5    5                                       
CONECT    5    4    4   13    6                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8   38                                       
CONECT    8    7    7    9   39                                       
CONECT    9   12   11    8   10                                       
CONECT   10    9   40   41   42                                       
CONECT   11    9   43   44   45                                       
CONECT   12   13    9                                                 
CONECT   13   14   14    5   12                                       
CONECT   14   15   13   13   46                                       
CONECT   15   16   16   14   47                                       
CONECT   16   17   15   15    4                                       
CONECT   17   19   18    2   16                                       
CONECT   18   29   17   48   49                                       
CONECT   19   22   21   20   17                                       
CONECT   20   19   50   51   52                                       
CONECT   21   19   53   54   55                                       
CONECT   22   23   29   19   56                                       
CONECT   23   24   22   57   58                                       
CONECT   24   34   31   23   25                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   29   28                                            
CONECT   28   27   59   60   61                                       
CONECT   29   30   22   27   18                                       
CONECT   30   31   29   62   63                                       
CONECT   31   32   24   30                                            
CONECT   32   33   31   64   65                                       
CONECT   33   34   32   66   67                                       
CONECT   34   36   35   33   24                                       
CONECT   35   34   68   69   70                                       
CONECT   36   34   71                                                 
CONECT   37    3                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
