COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.177   2.325   1.786  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.713   1.176   2.243  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.115   1.045   0.596  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.572   2.265   0.070  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.646   2.904   0.714  1.00  0.00           C  
HETATM    6  C1* UNL     1       4.554  -0.842   0.920  1.00  0.00           C  
HETATM    7  C2* UNL     1       3.333  -0.562   1.833  1.00  0.00           C  
HETATM    8  C3* UNL     1       2.798  -1.989   2.106  1.00  0.00           C  
HETATM    9  C4* UNL     1       3.376  -2.836   0.956  1.00  0.00           C  
HETATM   10  C5* UNL     1       2.238  -3.491   0.170  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.928   1.601  -1.177  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.279  -0.569  -0.062  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.941  -1.743  -0.817  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.749  -2.536  -1.398  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.508  -1.746  -0.926  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.432  -1.744  -2.014  1.00  0.00           C  
HETATM   17  C   UNL     1       0.837  -1.072  -2.523  1.00  0.00           C  
HETATM   18  C   UNL     1       2.035  -0.414  -1.976  1.00  0.00           C  
HETATM   19  C   UNL     1       2.990   0.111  -1.540  1.00  0.00           C  
HETATM   20  C   UNL     1       4.155   0.752  -1.008  1.00  0.00           C  
HETATM   21  C   UNL     1       5.899   1.204   0.275  1.00  0.00           C  
HETATM   22  C   UNL     1       7.763   2.290   1.068  1.00  0.00           C  
HETATM   23  C   UNL     1       6.753   3.187  -0.803  1.00  0.00           C  
HETATM   24  C   UNL     1       5.794   2.158  -0.753  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.709   0.542   1.673  1.00  0.00           N  
HETATM   26  N   UNL     1      -8.139   4.108   0.242  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.805   2.547  -1.010  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.078   0.650  -0.211  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.219  -1.093  -1.503  1.00  0.00           N  
HETATM   30  N   UNL     1       4.858   0.328   0.093  1.00  0.00           N  
HETATM   31  N   UNL     1       6.891   1.308   1.153  1.00  0.00           N  
HETATM   32  N   UNL     1       7.705   3.211   0.123  1.00  0.00           N  
HETATM   33  N   UNL     1       4.718   1.830  -1.501  1.00  0.00           N  
HETATM   34  N   UNL     1       6.700   4.157  -1.789  1.00  0.00           N  
HETATM   35  O2* UNL     1       3.739   0.072   3.047  1.00  0.00           O  
HETATM   36  O3* UNL     1       3.272  -2.468   3.366  1.00  0.00           O  
HETATM   37  O4* UNL     1       4.115  -1.947   0.101  1.00  0.00           O  
HETATM   38  O5* UNL     1       2.785  -4.365  -0.820  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.990  -0.405  -0.693  1.00  0.00           O  
HETATM   40  O   UNL     1      -3.727  -3.864  -0.872  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.692  -2.558   0.086  1.00  0.00           O  
HETATM   42  H   UNL     1      -8.174   0.740   3.117  1.00  0.00           H  
HETATM   43  H1* UNL     1       5.421  -1.126   1.515  1.00  0.00           H  
HETATM   44  H2* UNL     1       2.587   0.039   1.312  1.00  0.00           H  
HETATM   45  H3* UNL     1       1.708  -2.000   2.081  1.00  0.00           H  
HETATM   46  H4* UNL     1       4.039  -3.602   1.356  1.00  0.00           H  
HETATM   47 H5*1 UNL     1       1.609  -4.063   0.852  1.00  0.00           H  
HETATM   48 H5*2 UNL     1       1.640  -2.720  -0.316  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.189   1.572  -1.964  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.157  -0.815   0.992  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.581  -1.371  -1.617  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.798  -2.556  -2.486  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.113  -2.175  -0.005  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.202  -2.770  -2.299  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.798  -1.199  -2.885  1.00  0.00           H  
HETATM   56  H   UNL     1       0.488  -0.522  -3.397  1.00  0.00           H  
HETATM   57  H   UNL     1       1.084  -2.094  -2.812  1.00  0.00           H  
HETATM   58  H   UNL     1       8.557   2.345   1.798  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.744   4.520  -0.542  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.881   4.539   0.694  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.421  -0.161  -1.172  1.00  0.00           H  
HETATM   62  H   UNL     1       7.362   4.865  -1.809  1.00  0.00           H  
HETATM   63  H   UNL     1       6.000   4.129  -2.460  1.00  0.00           H  
HETATM   64  H2* UNL     1       3.010   0.267   3.652  1.00  0.00           H  
HETATM   65  H3* UNL     1       2.968  -3.358   3.589  1.00  0.00           H  
HETATM   66  H5* UNL     1       2.119  -4.816  -1.357  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.512  -4.386  -1.087  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.080  -3.344  -0.323  1.00  0.00           H  
CONECT    1    5    2    2                                            
CONECT    2    1    1   25   42                                       
CONECT    3    4   28   25   25                                       
CONECT    4    5    5   27    3                                       
CONECT    5   26    4    4    1                                       
CONECT    6   37   30    7   43                                       
CONECT    7    6    8   35   44                                       
CONECT    8    9    7   36   45                                       
CONECT    9   10   37    8   46                                       
CONECT   10   38    9   47   48                                       
CONECT   11   27   27   28   49                                       
CONECT   12   13   28   39   50                                       
CONECT   13   41   14   12   51                                       
CONECT   14   13   40   15   52                                       
CONECT   15   14   39   16   53                                       
CONECT   16   15   29   54   55                                       
CONECT   17   29   18   56   57                                       
CONECT   18   19   19   19   17                                       
CONECT   19   20   18   18   18                                       
CONECT   20   33   33   19   30                                       
CONECT   21   24   24   31   30                                       
CONECT   22   32   31   31   58                                       
CONECT   23   34   32   32   24                                       
CONECT   24   23   33   21   21                                       
CONECT   25    3    3    2                                            
CONECT   26    5   59   60                                            
CONECT   27    4   11   11                                            
CONECT   28   11    3   12                                            
CONECT   29   16   17   61                                            
CONECT   30   20   21    6                                            
CONECT   31   22   22   21                                            
CONECT   32   23   23   22                                            
CONECT   33   24   20   20                                            
CONECT   34   23   62   63                                            
CONECT   35    7   64                                                 
CONECT   36    8   65                                                 
CONECT   37    9    6                                                 
CONECT   38   10   66                                                 
CONECT   39   12   15                                                 
CONECT   40   14   67                                                 
CONECT   41   13   68                                                 
CONECT   42    2                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   22                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   38                                                      
CONECT   67   40                                                      
CONECT   68   41                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
