COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.872  -0.223   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       5.655   0.481  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       4.463  -0.244   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       7.338   1.895  -0.003  1.00  0.00           C  
HETATM    5  N   UNL     1       4.528  -1.572   0.003  1.00  0.00           N  
HETATM    6  N   UNL     1       6.839  -1.559   0.003  1.00  0.00           N  
HETATM    7  C   UNL     1       5.691  -2.199   0.004  1.00  0.00           C  
HETATM    8  N   UNL     1       3.236   0.407  -0.001  1.00  0.00           N  
HETATM    9  N   UNL     1       5.988   1.819  -0.003  1.00  0.00           N  
HETATM   10  N   UNL     1       7.855   0.697  -0.005  1.00  0.00           N  
HETATM   11  H   UNL     1       7.906   2.813  -0.007  1.00  0.00           H  
HETATM   12  H   UNL     1       5.698  -3.279   0.007  1.00  0.00           H  
HETATM   13  H   UNL     1       3.201   1.377  -0.003  1.00  0.00           H  
HETATM   14  H   UNL     1       5.370   2.566  -0.005  1.00  0.00           H  
HETATM   15  C   UNL     1       0.788   0.385  -0.001  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.395  -0.353   0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.658   1.700  -0.003  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.484   2.427   0.007  1.00  0.00           C  
HETATM   19  C   UNL     1       0.736   1.780   0.002  1.00  0.00           C  
HETATM   20  C   UNL     1       2.094  -0.308   0.001  1.00  0.00           C  
HETATM   21  H   UNL     1      -0.361  -1.433   0.003  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.609   2.212   0.000  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.520   3.507   0.018  1.00  0.00           H  
HETATM   24  H   UNL     1       1.651   2.354   0.002  1.00  0.00           H  
HETATM   25  C   UNL     1      -2.883  -0.473   0.001  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.109   0.187  -0.001  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.239  -1.934   0.003  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.022  -2.588  -0.008  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.845  -1.866  -0.003  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.619   0.306  -0.001  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.523   0.114  -0.001  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.747  -0.490   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.692   0.472   0.000  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.029   1.716  -0.002  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.703   1.467   0.004  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.286  -0.546   0.000  1.00  0.00           C  
HETATM   37  H   UNL     1      -4.144   1.266  -0.002  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.156  -2.504  -0.001  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.990  -3.668  -0.019  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.895  -2.380  -0.002  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.761   0.318   0.000  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.496   2.689  -0.003  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.920   2.211   0.005  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.928  -1.555   0.001  1.00  0.00           H  
HETATM   45  O   UNL     1       2.137  -1.523   0.003  1.00  0.00           O  
CONECT    1    2    2    6   10                                       
CONECT    2    3    9    1    1                                       
CONECT    3    8    5    5    2                                       
CONECT    4    9   10   10   11                                       
CONECT    5    3    3    7                                            
CONECT    6    7    7    1                                            
CONECT    7    5    6    6   12                                       
CONECT    8    3   13   20                                            
CONECT    9    2    4   14                                            
CONECT   10    4    4    1                                            
CONECT   11    4                                                      
CONECT   12    7                                                      
CONECT   13    8                                                      
CONECT   14    9                                                      
CONECT   15   16   19   19   20                                       
CONECT   16   15   30   30   21                                       
CONECT   17   30   18   18   22                                       
CONECT   18   17   17   19   23                                       
CONECT   19   18   15   15   24                                       
CONECT   20    8   15   45   45                                       
CONECT   21   16                                                      
CONECT   22   17                                                      
CONECT   23   18                                                      
CONECT   24   19                                                      
CONECT   25   26   29   29   30                                       
CONECT   26   25   36   36   37                                       
CONECT   27   36   28   28   38                                       
CONECT   28   27   27   29   39                                       
CONECT   29   28   25   25   40                                       
CONECT   30   16   16   17   25                                       
CONECT   31   32   35   36                                            
CONECT   32   31   33   33   44                                       
CONECT   33   32   32   34   41                                       
CONECT   34   33   35   35   42                                       
CONECT   35   34   34   31   43                                       
CONECT   36   26   26   27   31                                       
CONECT   37   26                                                      
CONECT   38   27                                                      
CONECT   39   28                                                      
CONECT   40   29                                                      
CONECT   41   33                                                      
CONECT   42   34                                                      
CONECT   43   35                                                      
CONECT   44   32                                                      
CONECT   45   20   20                                                 
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
