COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.130  -3.256  -0.390  1.00  0.00           O  
HETATM    2  C   UNL     1       8.823  -2.163   0.054  1.00  0.00           C  
HETATM    3  N   UNL     1       9.685  -1.460   0.821  1.00  0.00           N  
HETATM    4  C   UNL     1       9.332  -0.239   1.313  1.00  0.00           C  
HETATM    5  N   UNL     1      10.228   0.452   2.089  1.00  0.00           N  
HETATM    6  N   UNL     1       8.157   0.296   1.065  1.00  0.00           N  
HETATM    7  C   UNL     1       7.557  -1.596  -0.226  1.00  0.00           C  
HETATM    8  C   UNL     1       7.252  -0.341   0.313  1.00  0.00           C  
HETATM    9  N   UNL     1       6.479  -2.001  -0.940  1.00  0.00           N  
HETATM   10  C   UNL     1       5.554  -1.089  -0.878  1.00  0.00           C  
HETATM   11  N   UNL     1       5.983  -0.047  -0.107  1.00  0.00           N  
HETATM   12  C   UNL     1       5.228   1.170   0.202  1.00  0.00           C  
HETATM   13  C   UNL     1       5.594   2.282  -0.802  1.00  0.00           C  
HETATM   14  C   UNL     1       4.244   2.655  -1.462  1.00  0.00           C  
HETATM   15  O   UNL     1       4.132   4.069  -1.630  1.00  0.00           O  
HETATM   16  O   UNL     1       3.819   0.920   0.068  1.00  0.00           O  
HETATM   17  C   UNL     1       3.219   2.138  -0.420  1.00  0.00           C  
HETATM   18  C   UNL     1       1.873   1.847  -1.087  1.00  0.00           C  
HETATM   19  O   UNL     1       0.900   1.479  -0.074  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.344   1.189  -0.498  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.610   1.241  -1.683  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.295   0.840   0.391  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.649   0.525  -0.071  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.526   0.163   1.130  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.880  -0.152   0.668  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.226  -1.443   0.327  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.535  -1.737  -0.116  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.864  -3.064  -0.458  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.923  -4.044  -0.359  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.282  -5.461  -0.726  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.635  -3.753   0.077  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.613  -4.856   0.177  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.285  -2.465   0.418  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.462  -0.775  -0.214  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.175   0.463   0.099  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.172   1.552   0.003  1.00  0.00           C  
HETATM   37  O   UNL     1      -9.309   1.340  -0.373  1.00  0.00           O  
HETATM   38  N   UNL     1      -7.765   2.794   0.352  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.828   0.822   0.572  1.00  0.00           C  
HETATM   40  N   UNL     1      -5.580   2.082   0.885  1.00  0.00           N  
HETATM   41  C   UNL     1      -6.511   3.025   0.766  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.210   4.167   1.066  1.00  0.00           O  
HETATM   43  H   UNL     1      10.561  -1.827   1.023  1.00  0.00           H  
HETATM   44  H   UNL     1      11.099   0.070   2.280  1.00  0.00           H  
HETATM   45  H   UNL     1       9.990   1.322   2.446  1.00  0.00           H  
HETATM   46  H   UNL     1       4.588  -1.151  -1.356  1.00  0.00           H  
HETATM   47  H   UNL     1       5.454   1.498   1.217  1.00  0.00           H  
HETATM   48  H   UNL     1       6.014   3.142  -0.282  1.00  0.00           H  
HETATM   49  H   UNL     1       6.293   1.906  -1.548  1.00  0.00           H  
HETATM   50  H   UNL     1       4.122   2.141  -2.416  1.00  0.00           H  
HETATM   51  H   UNL     1       4.810   4.452  -2.204  1.00  0.00           H  
HETATM   52  H   UNL     1       3.099   2.858   0.389  1.00  0.00           H  
HETATM   53  H   UNL     1       1.529   2.736  -1.616  1.00  0.00           H  
HETATM   54  H   UNL     1       1.989   1.025  -1.795  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.083   0.798   1.336  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.070   1.391  -0.581  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.611  -0.319  -0.760  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.105  -0.703   1.640  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.564   1.007   1.819  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.282  -2.249   0.756  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.860  -3.303  -0.798  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.081  -5.624  -1.785  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.686  -6.153  -0.132  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.341  -5.631  -0.528  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.079  -4.942  -0.769  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.906  -4.625   0.973  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.115  -5.797   0.398  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.393   3.532   0.301  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   43                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4   44   45                                            
CONECT    6    4    4    8                                            
CONECT    7    2    8    8    9                                       
CONECT    8    6    7    7   11                                       
CONECT    9    7   10   10                                            
CONECT   10    9    9   11   46                                       
CONECT   11    8   10   12                                            
CONECT   12   11   13   16   47                                       
CONECT   13   12   14   48   49                                       
CONECT   14   13   15   17   50                                       
CONECT   15   14   51                                                 
CONECT   16   12   17                                                 
CONECT   17   14   16   18   52                                       
CONECT   18   17   19   53   54                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   55                                            
CONECT   23   22   24   56   57                                       
CONECT   24   23   25   58   59                                       
CONECT   25   24   26   39                                            
CONECT   26   25   27   33   33                                       
CONECT   27   26   28   28   34                                       
CONECT   28   27   27   29   61                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29   62   63   64                                       
CONECT   31   29   29   32   33                                       
CONECT   32   31   65   66   67                                       
CONECT   33   26   26   31   60                                       
CONECT   34   27   35   35                                            
CONECT   35   34   34   36   39                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   41   68                                            
CONECT   39   25   35   40   40                                       
CONECT   40   39   39   41                                            
CONECT   41   38   40   42   42                                       
CONECT   42   41   41                                                 
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   33                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   38                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
