COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.122   0.140  -0.212  1.00  0.00           C  
HETATM    2  C   UNL     1       3.551   1.412   0.186  1.00  0.00           C  
HETATM    3  C   UNL     1       4.937   1.694   0.170  1.00  0.00           C  
HETATM    4  C   UNL     1       1.390   1.383   0.348  1.00  0.00           C  
HETATM    5  N   UNL     1       5.786   0.721  -0.228  1.00  0.00           N  
HETATM    6  N   UNL     1       6.193  -1.468  -1.003  1.00  0.00           N  
HETATM    7  N   UNL     1       4.023  -0.775  -0.589  1.00  0.00           N  
HETATM    8  O   UNL     1       5.355   2.789   0.508  1.00  0.00           O  
HETATM    9  C   UNL     1       5.308  -0.499  -0.604  1.00  0.00           C  
HETATM   10  N   UNL     1       2.446   2.124   0.515  1.00  0.00           N1+
HETATM   11  C   UNL     1       2.442   3.511   0.987  1.00  0.00           C  
HETATM   12  N   UNL     1       1.758   0.147  -0.101  1.00  0.00           N  
HETATM   13  C   UNL     1       0.858  -0.967  -0.407  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.491  -0.491  -0.606  1.00  0.00           O  
HETATM   15  C   UNL     1       0.731  -1.917   0.811  1.00  0.00           C  
HETATM   16  O   UNL     1       1.776  -2.891   0.810  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.645  -2.582   0.561  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.477  -3.859  -0.058  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.366  -1.611  -0.393  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.675  -1.135   0.241  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.402  -0.294  -0.713  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.612   0.250  -0.364  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.443   0.205   0.846  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.364  -0.316   1.942  1.00  0.00           O  
HETATM   25  C   UNL     1      -6.421   1.070   0.147  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.496   1.569   0.423  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.532   1.069  -1.016  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.584   1.639  -2.240  1.00  0.00           O  
HETATM   29  H   UNL     1       0.374   1.698   0.535  1.00  0.00           H  
HETATM   30  H   UNL     1       6.740   0.893  -0.251  1.00  0.00           H  
HETATM   31  H   UNL     1       7.145  -1.280  -1.015  1.00  0.00           H  
HETATM   32  H   UNL     1       5.868  -2.341  -1.273  1.00  0.00           H  
HETATM   33  H   UNL     1       2.364   4.185   0.133  1.00  0.00           H  
HETATM   34  H   UNL     1       1.592   3.666   1.651  1.00  0.00           H  
HETATM   35  H   UNL     1       3.367   3.714   1.526  1.00  0.00           H  
HETATM   36  H   UNL     1       1.208  -1.512  -1.284  1.00  0.00           H  
HETATM   37  H   UNL     1       0.727  -1.354   1.744  1.00  0.00           H  
HETATM   38  H   UNL     1       1.739  -3.508   1.553  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.196  -2.682   1.496  1.00  0.00           H  
HETATM   40  H   UNL     1       0.023  -4.492   0.475  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.571  -2.107  -1.342  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.286  -1.998   0.504  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.455  -0.558   1.139  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.029  -0.123  -1.592  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.379   2.166  -2.395  1.00  0.00           H  
CONECT    1    7    2    2   12                                       
CONECT    2    3    1    1   10                                       
CONECT    3    5    8    8    2                                       
CONECT    4   10   10   12   29                                       
CONECT    5    9    3   30                                            
CONECT    6    9   31   32                                            
CONECT    7    9    9    1                                            
CONECT    8    3    3                                                 
CONECT    9    6    5    7    7                                       
CONECT   10    2   11    4    4                                       
CONECT   11   10   33   34   35                                       
CONECT   12    1    4   13                                            
CONECT   13   14   12   15   36                                       
CONECT   14   19   13                                                 
CONECT   15   13   17   16   37                                       
CONECT   16   15   38                                                 
CONECT   17   19   15   18   39                                       
CONECT   18   17   40                                                 
CONECT   19   14   20   17   41                                       
CONECT   20   21   19   42   43                                       
CONECT   21   22   20   44                                            
CONECT   22   21   23   27   27                                       
CONECT   23   24   24   22   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   22   22   25   28                                       
CONECT   28   27   45                                                 
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
