COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.170   2.275  -0.176  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.611   0.717   1.618  1.00  0.00           N  
HETATM    3  C   UNL     1       1.348  -0.974  -0.061  1.00  0.00           C  
HETATM    4  C   UNL     1       1.889  -3.417  -0.052  1.00  0.00           C  
HETATM    5  C   UNL     1       4.154  -4.207   0.013  1.00  0.00           C  
HETATM    6  C   UNL     1       4.193  -0.451   0.011  1.00  0.00           C  
HETATM    7  C   UNL     1       5.544   1.264   0.048  1.00  0.00           C  
HETATM    8  C   UNL     1       6.306   3.533   0.084  1.00  0.00           C  
HETATM    9  C   UNL     1       3.950   3.088   0.034  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.312  -1.034  -0.152  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.358  -0.120  -0.175  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.085   1.230  -0.161  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.767   1.667  -0.130  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.727   0.762  -0.109  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.999  -0.598  -0.119  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.762  -0.664  -0.219  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.767   0.411   0.190  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.493   1.670  -0.641  1.00  0.00           C  
HETATM   19  C   UNL     1       2.336  -2.112  -0.038  1.00  0.00           C  
HETATM   20  C   UNL     1       2.794  -4.462  -0.027  1.00  0.00           C  
HETATM   21  C   UNL     1       4.615  -2.907   0.016  1.00  0.00           C  
HETATM   22  C   UNL     1       3.706  -1.847  -0.004  1.00  0.00           C  
HETATM   23  C   UNL     1       4.214   1.716   0.026  1.00  0.00           C  
HETATM   24  C   UNL     1       6.583   2.181   0.078  1.00  0.00           C  
HETATM   25  C   UNL     1       4.995   3.984   0.062  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.168  -0.077  -0.075  1.00  0.00           C  
HETATM   27  N   UNL     1       3.427   0.610   0.000  1.00  0.00           N  
HETATM   28  O   UNL     1       0.019  -1.498  -0.095  1.00  0.00           O  
HETATM   29  O   UNL     1       5.488  -0.086   0.044  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.719   0.201  -1.114  1.00  0.00           O  
HETATM   31  O   UNL     1      -7.804  -0.822   0.843  1.00  0.00           O  
HETATM   32  H   UNL     1      -4.293   2.680   0.829  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.884   3.079  -0.854  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.771  -0.104   2.183  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.703   1.114   1.806  1.00  0.00           H  
HETATM   36  H   UNL     1       1.475  -0.365   0.834  1.00  0.00           H  
HETATM   37  H   UNL     1       1.520  -0.361  -0.945  1.00  0.00           H  
HETATM   38  H   UNL     1       0.829  -3.623  -0.079  1.00  0.00           H  
HETATM   39  H   UNL     1       4.856  -5.027   0.028  1.00  0.00           H  
HETATM   40  H   UNL     1       7.118   4.246   0.107  1.00  0.00           H  
HETATM   41  H   UNL     1       2.931   3.444   0.016  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.526  -2.093  -0.161  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.555   2.726  -0.122  1.00  0.00           H  
HETATM   44  H   UNL     1       0.295   1.111  -0.085  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.986  -0.999  -1.232  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.842  -1.509   0.465  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.298   2.390  -0.493  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.425   1.406  -1.696  1.00  0.00           H  
HETATM   49  H   UNL     1       2.439  -5.482  -0.038  1.00  0.00           H  
HETATM   50  H   UNL     1       5.676  -2.709   0.035  1.00  0.00           H  
HETATM   51  H   UNL     1       7.607   1.839   0.095  1.00  0.00           H  
HETATM   52  H   UNL     1       4.792   5.045   0.067  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.701  -1.112   0.629  1.00  0.00           H  
CONECT    1   12   18   32   33                                       
CONECT    2   17   34   35                                            
CONECT    3   28   19   36   37                                       
CONECT    4   20   20   19   38                                       
CONECT    5   20   21   21   39                                       
CONECT    6   22   27   27   29                                       
CONECT    7   23   29   24   24                                       
CONECT    8   25   25   24   40                                       
CONECT    9   23   23   25   41                                       
CONECT   10   15   15   11   42                                       
CONECT   11   12   12   10   16                                       
CONECT   12   13    1   11   11                                       
CONECT   13   14   14   12   43                                       
CONECT   14   13   13   15   44                                       
CONECT   15   14   28   10   10                                       
CONECT   16   11   17   45   46                                       
CONECT   17   18    2   16   26                                       
CONECT   18    1   17   47   48                                       
CONECT   19    4    3   22   22                                       
CONECT   20    4    4    5   49                                       
CONECT   21    5    5   22   50                                       
CONECT   22   19   19   21    6                                       
CONECT   23   27    9    9    7                                       
CONECT   24    7    7    8   51                                       
CONECT   25    9    8    8   52                                       
CONECT   26   17   30   30   31                                       
CONECT   27    6    6   23                                            
CONECT   28   15    3                                                 
CONECT   29    6    7                                                 
CONECT   30   26   26                                                 
CONECT   31   26   53                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
