COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.570   0.017  -1.828  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.330  -0.388  -2.242  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.628  -0.379   0.341  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.452  -0.386  -0.564  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.527   0.013  -2.643  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.133  -0.805  -0.992  1.00  0.00           C  
HETATM    7  C   UNL     1       0.211  -1.251  -0.552  1.00  0.00           C  
HETATM    8  C   UNL     1       3.718  -1.981  -0.865  1.00  0.00           C  
HETATM    9  C   UNL     1       5.804  -1.107   2.150  1.00  0.00           C  
HETATM   10  C   UNL     1       5.827   0.673   0.558  1.00  0.00           C  
HETATM   11  C   UNL     1       5.606   2.432  -1.175  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.911  -1.495   1.127  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.002  -1.489   1.974  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.819  -0.379   2.050  1.00  0.00           C  
HETATM   15  N   UNL     1      -8.066   2.811   1.407  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.393   1.898   1.345  1.00  0.00           C  
HETATM   17  O   UNL     1       5.941   2.993   1.152  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.546   0.746   1.267  1.00  0.00           C  
HETATM   19  C   UNL     1       4.615  -1.228   0.084  1.00  0.00           C  
HETATM   20  C   UNL     1       4.979  -1.808   1.284  1.00  0.00           C  
HETATM   21  C   UNL     1       6.233   0.157   1.775  1.00  0.00           C  
HETATM   22  C   UNL     1       6.287   2.045   0.140  1.00  0.00           C  
HETATM   23  C   UNL     1       7.804   2.037  -0.054  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.209  -0.816  -0.103  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.446   0.745   0.411  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.140   1.957  -0.431  1.00  0.00           C  
HETATM   27  C   UNL     1       1.349  -1.295  -1.306  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.691   0.439  -3.949  1.00  0.00           N  
HETATM   29  N   UNL     1       2.319  -1.764  -0.492  1.00  0.00           N  
HETATM   30  N   UNL     1       5.041  -0.023  -0.241  1.00  0.00           N  
HETATM   31  N   UNL     1       1.807  -1.987   0.667  1.00  0.00           N  
HETATM   32  N   UNL     1       0.556  -1.690   0.673  1.00  0.00           N  
HETATM   33  H   UNL     1       3.883  -1.624  -1.882  1.00  0.00           H  
HETATM   34  H   UNL     1       3.947  -3.046  -0.813  1.00  0.00           H  
HETATM   35  H   UNL     1       6.102  -1.533   3.097  1.00  0.00           H  
HETATM   36  H   UNL     1       4.525   2.438  -1.037  1.00  0.00           H  
HETATM   37  H   UNL     1       5.939   3.425  -1.478  1.00  0.00           H  
HETATM   38  H   UNL     1       5.870   1.710  -1.947  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.277  -2.368   1.072  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.218  -2.357   2.580  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.670  -0.380   2.714  1.00  0.00           H  
HETATM   42  H   UNL     1       6.338   2.809   2.014  1.00  0.00           H  
HETATM   43  H   UNL     1       4.627  -2.795   1.544  1.00  0.00           H  
HETATM   44  H   UNL     1       6.876   0.732   2.425  1.00  0.00           H  
HETATM   45  H   UNL     1       8.068   1.315  -0.827  1.00  0.00           H  
HETATM   46  H   UNL     1       8.137   3.030  -0.357  1.00  0.00           H  
HETATM   47  H   UNL     1       8.289   1.762   0.882  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.081  -1.149   0.916  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.574   1.829  -1.423  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.565   2.843   0.041  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.060   2.075  -0.520  1.00  0.00           H  
HETATM   52  H   UNL     1       1.452  -1.012  -2.343  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.935   0.441  -4.557  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.562   0.735  -4.257  1.00  0.00           H  
CONECT    1    5    5    4                                            
CONECT    2    6    6    5                                            
CONECT    3    4   12   12   25                                       
CONECT    4   24   24    1    3                                       
CONECT    5    2   28    1    1                                       
CONECT    6    7    2    2   24                                       
CONECT    7   27   27   32    6                                       
CONECT    8   19   29   33   34                                       
CONECT    9   21   21   20   35                                       
CONECT   10   21   22   30   30                                       
CONECT   11   22   36   37   38                                       
CONECT   12    3    3   13   39                                       
CONECT   13   12   14   14   40                                       
CONECT   14   13   13   18   41                                       
CONECT   15   16   16   16                                            
CONECT   16   18   15   15   15                                       
CONECT   17   22   42                                                 
CONECT   18   25   25   14   16                                       
CONECT   19   20   20   30    8                                       
CONECT   20    9   19   19   43                                       
CONECT   21    9    9   10   44                                       
CONECT   22   11   10   17   23                                       
CONECT   23   22   45   46   47                                       
CONECT   24    6    4    4   48                                       
CONECT   25    3   26   18   18                                       
CONECT   26   25   49   50   51                                       
CONECT   27   29    7    7   52                                       
CONECT   28    5   53   54                                            
CONECT   29    8   31   27                                            
CONECT   30   10   10   19                                            
CONECT   31   29   32   32                                            
CONECT   32   31   31    7                                            
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
