COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.004   3.707  -0.097  1.00  0.00           C  
HETATM    2  C   UNL     1       0.830   2.342   0.130  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.350   1.712  -0.304  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.150   3.705  -1.139  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.012   4.390  -0.744  1.00  0.00           C  
HETATM    6  C   UNL     1       0.460  -0.343   0.563  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.032  -0.608   1.953  1.00  0.00           O  
HETATM    8  N   UNL     1      -5.084  -1.100   0.840  1.00  0.00           N1+
HETATM    9  O   UNL     1      -6.099  -1.663   0.470  1.00  0.00           O1-
HETATM   10  C   UNL     1      -3.914  -1.015  -0.062  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.764  -0.376   0.358  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.971  -1.579  -1.323  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.880  -1.502  -2.169  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.729  -0.860  -1.756  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.666  -0.297  -0.488  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.500   0.355  -0.067  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.286   2.412  -0.922  1.00  0.00           N  
HETATM   18  O   UNL     1       0.286  -1.531   0.749  1.00  0.00           O  
HETATM   19  N   UNL     1       1.602   0.214   0.995  1.00  0.00           N  
HETATM   20  C   UNL     1       1.849   1.530   0.815  1.00  0.00           C  
HETATM   21  O   UNL     1       2.886   2.030   1.208  1.00  0.00           O  
HETATM   22  C   UNL     1       2.597  -0.620   1.674  1.00  0.00           C  
HETATM   23  C   UNL     1       3.551  -1.192   0.657  1.00  0.00           C  
HETATM   24  C   UNL     1       4.707  -0.512   0.307  1.00  0.00           C  
HETATM   25  C   UNL     1       5.559  -1.068  -0.629  1.00  0.00           C  
HETATM   26  N   UNL     1       5.281  -2.230  -1.187  1.00  0.00           N  
HETATM   27  C   UNL     1       4.191  -2.905  -0.878  1.00  0.00           C  
HETATM   28  C   UNL     1       3.296  -2.414   0.054  1.00  0.00           C  
HETATM   29  H   UNL     1       1.900   4.216   0.226  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.940   4.242  -1.643  1.00  0.00           H  
HETATM   31  H   UNL     1       0.078   5.450  -0.932  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.718   0.061   1.345  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.870  -2.082  -1.648  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.928  -1.944  -3.153  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.877  -0.800  -2.417  1.00  0.00           H  
HETATM   36  H   UNL     1       3.151  -0.013   2.391  1.00  0.00           H  
HETATM   37  H   UNL     1       2.094  -1.432   2.198  1.00  0.00           H  
HETATM   38  H   UNL     1       4.940   0.441   0.760  1.00  0.00           H  
HETATM   39  H   UNL     1       6.462  -0.544  -0.907  1.00  0.00           H  
HETATM   40  H   UNL     1       3.997  -3.853  -1.357  1.00  0.00           H  
HETATM   41  H   UNL     1       2.407  -2.973   0.305  1.00  0.00           H  
CONECT    1    2   29    5    5                                       
CONECT    2    1   20    3    3                                       
CONECT    3    2    2   16   17                                       
CONECT    4    5   17   17   30                                       
CONECT    5    4    1    1   31                                       
CONECT    6   19   18   18   16                                       
CONECT    7    8    8                                                 
CONECT    8    7    7    9   10                                       
CONECT    9    8                                                      
CONECT   10    8   11   12   12                                       
CONECT   11   10   32   15   15                                       
CONECT   12   10   10   33   13                                       
CONECT   13   12   14   14   34                                       
CONECT   14   13   13   15   35                                       
CONECT   15   14   11   11   16                                       
CONECT   16    3   15    6                                            
CONECT   17    4    4    3                                            
CONECT   18    6    6                                                 
CONECT   19    6   22   20                                            
CONECT   20    2   19   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   36   37                                       
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   38                                       
CONECT   25   24   24   39   26                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   40   28                                       
CONECT   28   23   23   27   41                                       
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   27                                                      
CONECT   41   28                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
