COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.844   0.599  -0.295  1.00  0.00           N  
HETATM    2  C   UNL     1       4.343   1.841  -0.601  1.00  0.00           C  
HETATM    3  C   UNL     1       2.505   0.442  -0.075  1.00  0.00           C  
HETATM    4  C   UNL     1       4.213  -1.794  -0.748  1.00  0.00           C  
HETATM    5  C   UNL     1       4.820  -0.491  -0.220  1.00  0.00           C  
HETATM    6  C   UNL     1       0.183   1.517   0.142  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.620   1.027   1.651  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.738   1.785  -0.872  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.871  -0.745  -0.505  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.945  -1.822  -1.025  1.00  0.00           C  
HETATM   11  O   UNL     1       1.876  -3.063  -0.404  1.00  0.00           O  
HETATM   12  S   UNL     1       2.725  -2.131   0.252  1.00  0.00           S  
HETATM   13  O   UNL     1       3.063  -2.280   1.625  1.00  0.00           O  
HETATM   14  C   UNL     1       3.570   2.938  -0.666  1.00  0.00           C  
HETATM   15  C   UNL     1       2.191   2.860  -0.423  1.00  0.00           C  
HETATM   16  N   UNL     1       1.904  -0.696   0.174  1.00  0.00           N  
HETATM   17  C   UNL     1       1.635   1.635  -0.124  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.089   1.673  -0.620  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.533   1.295   0.640  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.267   1.142   1.408  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.866   1.186   0.884  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.551   0.195   0.256  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.931   0.122   0.373  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.625  -0.886  -0.268  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.570  -1.749  -1.147  1.00  0.00           C  
HETATM   26  H   UNL     1       5.400   1.940  -0.797  1.00  0.00           H  
HETATM   27  H   UNL     1       3.942  -1.679  -1.797  1.00  0.00           H  
HETATM   28  H   UNL     1       4.928  -2.609  -0.636  1.00  0.00           H  
HETATM   29  H   UNL     1       5.694  -0.233  -0.819  1.00  0.00           H  
HETATM   30  H   UNL     1       5.124  -0.631   0.817  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.969   0.737   2.631  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.393   2.079  -1.852  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.796  -0.691  -0.598  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.490  -2.607  -1.528  1.00  0.00           H  
HETATM   35  H   UNL     1       4.016   3.892  -0.908  1.00  0.00           H  
HETATM   36  H   UNL     1       1.576   3.746  -0.467  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.802   1.881  -1.404  1.00  0.00           H  
HETATM   38  H   UNL     1       0.443   0.933   2.195  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.463   0.853   0.964  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.700  -0.943  -0.177  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.041  -2.481  -1.739  1.00  0.00           H  
CONECT    1    2    3    5                                            
CONECT    2   14   14    1   26                                       
CONECT    3   17    1   16   16                                       
CONECT    4    5   12   27   28                                       
CONECT    5    1    4   29   30                                       
CONECT    6    8    8   20   17                                       
CONECT    7   19   20   20   31                                       
CONECT    8   18    6    6   32                                       
CONECT    9   22   22   25   33                                       
CONECT   10   24   25   25   34                                       
CONECT   11   12   12                                                 
CONECT   12   16   13   13    4                                       
CONECT   12   11   11                                                 
CONECT   13   12   12                                                 
CONECT   14   15    2    2   35                                       
CONECT   15   14   17   17   36                                       
CONECT   16    3    3   12                                            
CONECT   17   15   15    6    3                                       
CONECT   18   19   19    8   37                                       
CONECT   19   21   18   18    7                                       
CONECT   20    7    7    6   38                                       
CONECT   21   22   19                                                 
CONECT   22   23   21    9    9                                       
CONECT   23   24   24   22   39                                       
CONECT   24   23   23   10   40                                       
CONECT   25   10   10    9   41                                       
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
