COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.896   1.145  -1.474  1.00  0.00           N  
HETATM    2  C   UNL     1       1.894   0.303  -0.270  1.00  0.00           C  
HETATM    3  C   UNL     1       2.003   1.176   0.954  1.00  0.00           C  
HETATM    4  O   UNL     1       1.424   0.869   1.969  1.00  0.00           O  
HETATM    5  O   UNL     1       2.742   2.296   0.915  1.00  0.00           O  
HETATM    6  C   UNL     1       3.083  -0.659  -0.317  1.00  0.00           C  
HETATM    7  C   UNL     1       4.385   0.143  -0.377  1.00  0.00           C  
HETATM    8  C   UNL     1       5.574  -0.819  -0.424  1.00  0.00           C  
HETATM    9  C   UNL     1       6.876  -0.018  -0.483  1.00  0.00           C  
HETATM   10  N   UNL     1       8.017  -0.941  -0.529  1.00  0.00           N  
HETATM   11  C   UNL     1       0.592  -0.498  -0.211  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.600   0.459  -0.289  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.902  -0.343  -0.229  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.898  -1.362  -1.287  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.090   0.600  -0.433  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.392  -0.202  -0.373  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.581   0.740  -0.577  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.883  -0.061  -0.517  1.00  0.00           C  
HETATM   19  N   UNL     1      -8.023   0.844  -0.713  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.017  -1.014   1.115  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.445  -0.552   2.072  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.757  -2.126   1.248  1.00  0.00           O  
HETATM   23  H   UNL     1       2.717   1.732  -1.503  1.00  0.00           H  
HETATM   24  H   UNL     1       1.824   0.582  -2.308  1.00  0.00           H  
HETATM   25  H   UNL     1       2.781   2.824   1.725  1.00  0.00           H  
HETATM   26  H   UNL     1       3.081  -1.283   0.576  1.00  0.00           H  
HETATM   27  H   UNL     1       4.387   0.767  -1.270  1.00  0.00           H  
HETATM   28  H   UNL     1       5.572  -1.444   0.470  1.00  0.00           H  
HETATM   29  H   UNL     1       5.495  -1.451  -1.309  1.00  0.00           H  
HETATM   30  H   UNL     1       6.878   0.607  -1.377  1.00  0.00           H  
HETATM   31  H   UNL     1       6.955   0.614   0.402  1.00  0.00           H  
HETATM   32  H   UNL     1       7.934  -1.581  -1.305  1.00  0.00           H  
HETATM   33  H   UNL     1       8.890  -0.436  -0.568  1.00  0.00           H  
HETATM   34  H   UNL     1       0.555  -1.194  -1.049  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.563   1.155   0.549  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.822  -0.936  -2.199  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.161  -2.034  -1.139  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.093   1.356   0.352  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.006   1.085  -1.405  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.390  -0.958  -1.158  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.583   1.497   0.208  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.880  -0.817  -1.302  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.966  -0.547   0.455  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.896   0.338  -0.678  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.012   1.592  -0.036  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.801  -2.522   2.129  1.00  0.00           H  
HETATM   47  H   UNL     1       3.004  -1.290  -1.202  1.00  0.00           H  
HETATM   48  H   UNL     1       4.463   0.774   0.508  1.00  0.00           H  
HETATM   49  H   UNL     1       0.550  -1.054   0.726  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.558   1.015  -1.225  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.476  -0.688   0.599  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.497   1.226  -1.549  1.00  0.00           H  
CONECT    1    2   23   24                                            
CONECT    2    6    3    1   11                                       
CONECT    3    4    4    5    2                                       
CONECT    4    3    3                                                 
CONECT    5    3   25                                                 
CONECT    6    7    2   26   47                                       
CONECT    7    8    6   27   48                                       
CONECT    8    9    7   28   29                                       
CONECT    9   10    8   30   31                                       
CONECT   10    9   32   33                                            
CONECT   11    2   12   34   49                                       
CONECT   12   11   13   35   50                                       
CONECT   13   12   14   15   20                                       
CONECT   14   13   36   37                                            
CONECT   15   13   16   38   39                                       
CONECT   16   15   17   40   51                                       
CONECT   17   16   18   41   52                                       
CONECT   18   17   19   42   43                                       
CONECT   19   18   44   45                                            
CONECT   20   13   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   46                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
