COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.351  -2.191  -0.873  1.00  0.00           O  
HETATM    2  C   UNL     1       5.488  -1.025  -0.561  1.00  0.00           C  
HETATM    3  C   UNL     1       4.301  -0.169  -0.363  1.00  0.00           C  
HETATM    4  C   UNL     1       3.020  -0.701  -0.533  1.00  0.00           C  
HETATM    5  C   UNL     1       1.914   0.098  -0.348  1.00  0.00           C  
HETATM    6  C   UNL     1       4.458   1.171   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       3.350   1.966   0.190  1.00  0.00           C  
HETATM    8  C   UNL     1       2.072   1.437   0.009  1.00  0.00           C  
HETATM    9  C   UNL     1       0.879   2.294   0.214  1.00  0.00           C  
HETATM   10  C   UNL     1       1.034   3.652   0.485  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.028   4.416   0.668  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.239   3.897   0.594  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.403   2.539   0.324  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.680   1.994   0.247  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.843   0.609   0.127  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.998   0.090  -0.456  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.155  -1.280  -0.579  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.167  -2.134  -0.124  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.016  -1.621   0.456  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.046  -2.464   0.902  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.310  -3.865   0.805  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.017  -4.342  -0.618  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.416  -4.621   1.790  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.854  -0.250   0.582  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.971   0.930  -0.903  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.127   0.329  -1.489  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.341   1.769   0.134  1.00  0.00           N  
HETATM   28  O   UNL     1       6.723  -0.513  -0.392  1.00  0.00           O  
HETATM   29  H   UNL     1       2.898  -1.738  -0.810  1.00  0.00           H  
HETATM   30  H   UNL     1       0.924  -0.313  -0.480  1.00  0.00           H  
HETATM   31  H   UNL     1       5.447   1.582   0.132  1.00  0.00           H  
HETATM   32  H   UNL     1       3.471   3.003   0.467  1.00  0.00           H  
HETATM   33  H   UNL     1       2.024   4.081   0.547  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.105   4.525   0.744  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.457   2.573   0.277  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.049  -1.682  -1.030  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.291  -3.203  -0.221  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.356  -4.055   1.045  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.218  -5.411  -0.692  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.654  -3.803  -1.320  1.00  0.00           H  
HETATM   41  H   UNL     1       0.029  -4.152  -0.858  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.624  -4.281   2.805  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.617  -5.690   1.717  1.00  0.00           H  
HETATM   44  H   UNL     1       0.630  -4.431   1.551  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.956   0.149   1.030  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.830  -0.262  -2.355  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.611  -0.317  -0.757  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.822   1.108  -1.802  1.00  0.00           H  
HETATM   49  H   UNL     1       7.469  -1.113  -0.529  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   28                                       
CONECT    3    6    6    4    2                                       
CONECT    4    5    5    3   29                                       
CONECT    5    8    4    4   30                                       
CONECT    6    7    3    3   31                                       
CONECT    7    8    8    6   32                                       
CONECT    8    9    7    7    5                                       
CONECT    9   27   27   10    8                                       
CONECT   10   11   11    9   33                                       
CONECT   11   12   10   10                                            
CONECT   12   13   13   11   34                                       
CONECT   13   14   12   12   27                                       
CONECT   14   15   13   35                                            
CONECT   15   16   16   24   14                                       
CONECT   16   17   25   15   15                                       
CONECT   17   18   18   16   36                                       
CONECT   18   17   17   19   37                                       
CONECT   19   18   20   24   24                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   23   38                                       
CONECT   22   21   39   40   41                                       
CONECT   23   21   42   43   44                                       
CONECT   24   19   19   15   45                                       
CONECT   25   26   16                                                 
CONECT   26   25   46   47   48                                       
CONECT   27   13    9    9                                            
CONECT   28    2   49                                                 
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
