COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.465   2.524  -1.558  1.00  0.00           S  
HETATM    2  C   UNL     1      -1.050   0.989  -0.799  1.00  0.00           C  
HETATM    3  C   UNL     1       0.231   0.287  -1.170  1.00  0.00           C  
HETATM    4  C   UNL     1       1.368   0.798  -0.284  1.00  0.00           C  
HETATM    5  O   UNL     1       2.583   0.132  -0.637  1.00  0.00           O  
HETATM    6  P   UNL     1       3.987   0.425   0.094  1.00  0.00           P  
HETATM    7  O   UNL     1       5.104  -0.591  -0.464  1.00  0.00           O  
HETATM    8  P   UNL     1       6.527  -1.104   0.090  1.00  0.00           P  
HETATM    9  O   UNL     1       6.403  -1.446   1.525  1.00  0.00           O  
HETATM   10  O   UNL     1       6.985  -2.408  -0.735  1.00  0.00           O  
HETATM   11  O   UNL     1       7.624   0.060  -0.092  1.00  0.00           O  
HETATM   12  O   UNL     1       3.833   0.235   1.554  1.00  0.00           O  
HETATM   13  O   UNL     1       4.442   1.940  -0.205  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.864   0.452   0.100  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.463  -0.808   0.822  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.097   1.055   0.376  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.321   1.607   1.585  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.425   1.665   2.401  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.144   1.087  -0.648  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.052  -0.104  -0.476  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.110  -0.071   0.435  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.346   1.061   1.199  1.00  0.00           N  
HETATM   23  N   UNL     1      -6.888  -1.142   0.557  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.666  -2.220  -0.168  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.570  -3.414  -0.001  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.677  -2.282  -1.036  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.862  -1.252  -1.218  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.654   2.823  -1.006  1.00  0.00           H  
HETATM   29  H   UNL     1       0.112  -0.787  -1.025  1.00  0.00           H  
HETATM   30  H   UNL     1       0.465   0.488  -2.215  1.00  0.00           H  
HETATM   31  H   UNL     1       1.488   1.872  -0.430  1.00  0.00           H  
HETATM   32  H   UNL     1       1.134   0.597   0.761  1.00  0.00           H  
HETATM   33  H   UNL     1       7.836  -2.772  -0.454  1.00  0.00           H  
HETATM   34  H   UNL     1       7.758   0.335  -1.009  1.00  0.00           H  
HETATM   35  H   UNL     1       4.563   2.136  -1.144  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.734  -1.675   0.220  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.386  -0.804   0.989  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.979  -0.857   1.781  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.298   1.998   1.828  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.724   2.004  -0.547  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.686   1.054  -1.637  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.846   1.875   1.028  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.010   1.039   1.906  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.408  -3.335  -0.694  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.010  -4.325  -0.210  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.946  -3.444   1.022  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.054  -1.314  -1.933  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2   14   14    3    1                                       
CONECT    3    2    4   29   30                                       
CONECT    4    5    3   31   32                                       
CONECT    5    6    4                                                 
CONECT    6   12   12    5   13                                       
CONECT    6    7                                                      
CONECT    7    6    8                                                 
CONECT    8    7    9    9   10                                       
CONECT    8   11                                                      
CONECT    9    8    8                                                 
CONECT   10    8   33                                                 
CONECT   11    8   34                                                 
CONECT   12    6    6                                                 
CONECT   13    6   35                                                 
CONECT   14   15   16    2    2                                       
CONECT   15   14   36   37   38                                       
CONECT   16   19   14   17                                            
CONECT   17   16   18   18   39                                       
CONECT   18   17   17                                                 
CONECT   19   20   16   40   41                                       
CONECT   20   27   27   21   19                                       
CONECT   21   23   23   20   22                                       
CONECT   22   21   42   43                                            
CONECT   23   24   21   21                                            
CONECT   24   25   26   26   23                                       
CONECT   25   24   44   45   46                                       
CONECT   26   24   24   27                                            
CONECT   27   26   20   20   47                                       
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
