COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.811   1.087  -0.652  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.497   2.433   1.953  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.710   2.805  -2.874  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.345  -1.958  -0.633  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.707   3.242  -1.804  1.00  0.00           C  
HETATM    6  O   UNL     1       8.466   1.608   0.396  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.486   0.191   0.159  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.022   2.527  -0.488  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.100   3.055   0.613  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.528  -3.291  -0.241  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.065  -0.236   1.795  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.918  -2.050   0.943  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.205  -1.181   0.098  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.836  -1.535   1.773  1.00  0.00           N  
HETATM   15  O   UNL     1      -3.416   3.473  -4.102  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.575   2.961   3.054  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.411   0.615   1.012  1.00  0.00           N  
HETATM   18  N   UNL     1      -6.022   0.259   2.667  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.447  -3.354   0.682  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.398  -1.479  -1.643  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.061  -1.225  -0.995  1.00  0.00           C  
HETATM   22  C   UNL     1       0.267   0.046  -0.562  1.00  0.00           C  
HETATM   23  C   UNL     1       1.493   0.280   0.032  1.00  0.00           C  
HETATM   24  C   UNL     1       2.395  -0.756   0.194  1.00  0.00           C  
HETATM   25  C   UNL     1       2.072  -2.028  -0.238  1.00  0.00           C  
HETATM   26  C   UNL     1       0.840  -2.267  -0.829  1.00  0.00           C  
HETATM   27  O   UNL     1       0.519  -3.517  -1.254  1.00  0.00           O  
HETATM   28  C   UNL     1       1.499  -4.539  -1.060  1.00  0.00           C  
HETATM   29  C   UNL     1       3.733  -0.496   0.836  1.00  0.00           C  
HETATM   30  N   UNL     1       4.709  -0.128  -0.197  1.00  0.00           N  
HETATM   31  C   UNL     1       6.029   0.133   0.394  1.00  0.00           C  
HETATM   32  C   UNL     1       7.117  -0.098  -0.659  1.00  0.00           C  
HETATM   33  C   UNL     1       8.480   0.252  -0.058  1.00  0.00           C  
HETATM   34  C   UNL     1       7.500   1.871   1.416  1.00  0.00           C  
HETATM   35  C   UNL     1       6.097   1.586   0.873  1.00  0.00           C  
HETATM   36  H   UNL     1      -2.195   0.761  -1.327  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.529   2.697   2.185  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.405   1.348   1.891  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.639   1.727  -3.020  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.719   3.062  -2.553  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.698   2.984  -2.124  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.778   4.320  -1.657  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.060   2.713  -0.213  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.192   4.140   0.675  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.069   2.791   0.381  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.013   3.243  -4.827  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.543   2.697   2.822  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.667   4.045   3.115  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.858   2.518   4.009  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.509  -0.347   3.247  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.204   1.211   2.698  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.791  -4.256   1.166  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.286  -2.232  -2.423  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.771  -0.554  -2.081  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.435   0.857  -0.687  1.00  0.00           H  
HETATM   56  H   UNL     1       1.748   1.274   0.369  1.00  0.00           H  
HETATM   57  H   UNL     1       2.776  -2.837  -0.111  1.00  0.00           H  
HETATM   58  H   UNL     1       1.117  -5.486  -1.442  1.00  0.00           H  
HETATM   59  H   UNL     1       2.412  -4.274  -1.593  1.00  0.00           H  
HETATM   60  H   UNL     1       1.715  -4.638   0.004  1.00  0.00           H  
HETATM   61  H   UNL     1       3.639   0.318   1.554  1.00  0.00           H  
HETATM   62  H   UNL     1       4.070  -1.397   1.351  1.00  0.00           H  
HETATM   63  H   UNL     1       4.389   0.665  -0.731  1.00  0.00           H  
HETATM   64  H   UNL     1       6.189  -0.538   1.238  1.00  0.00           H  
HETATM   65  H   UNL     1       7.112  -1.144  -0.965  1.00  0.00           H  
HETATM   66  H   UNL     1       6.926   0.536  -1.525  1.00  0.00           H  
HETATM   67  H   UNL     1       9.254   0.131  -0.816  1.00  0.00           H  
HETATM   68  H   UNL     1       8.688  -0.410   0.783  1.00  0.00           H  
HETATM   69  H   UNL     1       7.694   1.230   2.275  1.00  0.00           H  
HETATM   70  H   UNL     1       7.567   2.916   1.718  1.00  0.00           H  
HETATM   71  H   UNL     1       5.886   2.255   0.039  1.00  0.00           H  
HETATM   72  H   UNL     1       5.362   1.744   1.663  1.00  0.00           H  
CONECT    1    8    7   36                                            
CONECT    2    9   16   37   38                                       
CONECT    3   15    5   39   40                                       
CONECT    4   20   13   10                                            
CONECT    5    3    8   41   42                                       
CONECT    6   33   34                                                 
CONECT    7    1   13   13   17                                       
CONECT    8    5    1    9   43                                       
CONECT    9    8    2   44   45                                       
CONECT   10    4   19   19                                            
CONECT   11   17   17   18   14                                       
CONECT   12   13   19   14   14                                       
CONECT   13    4    7    7   12                                       
CONECT   14   12   12   11                                            
CONECT   15    3   46                                                 
CONECT   16    2   47   48   49                                       
CONECT   17    7   11   11                                            
CONECT   18   11   50   51                                            
CONECT   19   10   10   12   52                                       
CONECT   20   21    4   53   54                                       
CONECT   21   26   26   22   20                                       
CONECT   22   23   23   21   55                                       
CONECT   23   24   22   22   56                                       
CONECT   24   29   25   25   23                                       
CONECT   25   24   24   26   57                                       
CONECT   26   25   27   21   21                                       
CONECT   27   28   26                                                 
CONECT   28   27   58   59   60                                       
CONECT   29   30   24   61   62                                       
CONECT   30   31   29   63                                            
CONECT   31   32   35   30   64                                       
CONECT   32   33   31   65   66                                       
CONECT   33    6   32   67   68                                       
CONECT   34    6   35   69   70                                       
CONECT   35   34   31   71   72                                       
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
