COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.853  -2.159   0.116  1.00  0.00           C  
HETATM    2  C   UNL     1       0.318   0.935  -0.147  1.00  0.00           C  
HETATM    3  C   UNL     1       3.475  -1.819  -1.610  1.00  0.00           C  
HETATM    4  C   UNL     1       5.350   0.158  -0.534  1.00  0.00           C  
HETATM    5  C   UNL     1       4.719  -0.913   0.358  1.00  0.00           C  
HETATM    6  C   UNL     1       4.583  -0.381   1.762  1.00  0.00           C  
HETATM    7  C   UNL     1       0.748   2.286  -0.213  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.194   3.897  -0.136  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.802   2.603  -0.100  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.726   1.603  -0.030  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.292   0.267   0.005  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.282  -0.832   0.081  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.646  -0.545   0.117  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.563  -1.573   0.188  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.132  -2.887   0.222  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.780  -3.179   0.187  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.996  -0.009  -0.029  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.088   0.964  -0.098  1.00  0.00           C  
HETATM   19  C   UNL     1       1.143  -0.218  -0.137  1.00  0.00           C  
HETATM   20  N   UNL     1       2.484  -0.088  -0.195  1.00  0.00           N  
HETATM   21  C   UNL     1       3.336  -1.280  -0.185  1.00  0.00           C  
HETATM   22  C   UNL     1       4.105  -0.748  -2.502  1.00  0.00           C  
HETATM   23  C   UNL     1       5.488  -0.381  -1.959  1.00  0.00           C  
HETATM   24  O   UNL     1       5.673   0.006   2.441  1.00  0.00           O  
HETATM   25  O   UNL     1       3.492  -0.304   2.275  1.00  0.00           O  
HETATM   26  O   UNL     1       0.641  -1.326  -0.077  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.346   3.066  -0.204  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.469   2.280  -0.135  1.00  0.00           N  
HETATM   29  H   UNL     1      -2.798  -2.388   0.084  1.00  0.00           H  
HETATM   30  H   UNL     1       4.109  -2.706  -1.603  1.00  0.00           H  
HETATM   31  H   UNL     1       2.490  -2.081  -1.997  1.00  0.00           H  
HETATM   32  H   UNL     1       4.715   1.045  -0.541  1.00  0.00           H  
HETATM   33  H   UNL     1       6.334   0.420  -0.147  1.00  0.00           H  
HETATM   34  H   UNL     1       5.353  -1.799   0.365  1.00  0.00           H  
HETATM   35  H   UNL     1       1.772   2.627  -0.262  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.153   4.018  -0.107  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.781   1.835  -0.002  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.984   0.481   0.091  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.620  -1.352   0.216  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.854  -3.689   0.278  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.450  -4.207   0.209  1.00  0.00           H  
HETATM   42  H   UNL     1       2.884   0.794  -0.242  1.00  0.00           H  
HETATM   43  H   UNL     1       2.887  -2.043   0.451  1.00  0.00           H  
HETATM   44  H   UNL     1       4.204  -1.133  -3.517  1.00  0.00           H  
HETATM   45  H   UNL     1       3.471   0.138  -2.509  1.00  0.00           H  
HETATM   46  H   UNL     1       5.937   0.382  -2.595  1.00  0.00           H  
HETATM   47  H   UNL     1       6.122  -1.268  -1.952  1.00  0.00           H  
HETATM   48  H   UNL     1       5.536   0.340   3.338  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.342   4.146  -0.245  1.00  0.00           H  
CONECT    1   12   12   16   29                                       
CONECT    2   19    7   18   18                                       
CONECT    3   21   22   30   31                                       
CONECT    4    5   23   32   33                                       
CONECT    5    6   21    4   34                                       
CONECT    6   25   25    5   24                                       
CONECT    7    2   27   27   35                                       
CONECT    8    9   36                                                 
CONECT    9   28   10   10    8                                       
CONECT   10   11    9    9   37                                       
CONECT   11   17   17   12   10                                       
CONECT   12   13   11    1    1                                       
CONECT   13   14   14   12   38                                       
CONECT   14   13   13   15   39                                       
CONECT   15   14   16   16   40                                       
CONECT   16   15   15    1   41                                       
CONECT   17   18   11   11                                            
CONECT   18    2    2   17   28                                       
CONECT   19   26   26   20    2                                       
CONECT   20   21   19   42                                            
CONECT   21    5    3   20   43                                       
CONECT   22    3   23   44   45                                       
CONECT   23   22    4   46   47                                       
CONECT   24    6   48                                                 
CONECT   25    6    6                                                 
CONECT   26   19   19                                                 
CONECT   27    7    7   28   49                                       
CONECT   28   18   27    9                                            
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
