COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.287   2.339   0.448  1.00  0.00           O  
HETATM    2  S   UNL     1       3.911   1.252  -0.386  1.00  0.00           S  
HETATM    3  O   UNL     1       4.584   0.931  -1.596  1.00  0.00           O  
HETATM    4  N   UNL     1       3.977  -0.107   0.559  1.00  0.00           N  
HETATM    5  C   UNL     1       3.639  -1.305   0.042  1.00  0.00           C  
HETATM    6  C   UNL     1       3.699  -2.541   0.901  1.00  0.00           C  
HETATM    7  C   UNL     1       5.109  -3.146   1.020  1.00  0.00           C  
HETATM    8  C   UNL     1       4.743  -3.992  -0.213  1.00  0.00           C  
HETATM    9  N   UNL     1       3.330  -3.783   0.186  1.00  0.00           N  
HETATM   10  O   UNL     1       3.288  -1.388  -1.116  1.00  0.00           O  
HETATM   11  O   UNL     1       2.451   1.475  -0.752  1.00  0.00           O  
HETATM   12  C   UNL     1       1.657   1.996   0.316  1.00  0.00           C  
HETATM   13  C   UNL     1       0.216   2.181  -0.163  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.633   2.859   0.934  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.753   4.260   0.680  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.011   2.169   0.823  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.024   3.123   0.497  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.832   1.156  -0.328  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.412   0.897  -0.375  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.568  -0.078  -0.041  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.894  -0.313  -0.306  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.152  -1.620   0.139  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.993  -2.107   0.643  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.060  -1.206   0.533  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.881   0.392  -0.849  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.086  -0.125  -0.970  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.377  -1.348  -0.567  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.454  -2.127  -0.013  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.768  -3.408   0.407  1.00  0.00           N  
HETATM   30  H   UNL     1       4.257  -0.040   1.485  1.00  0.00           H  
HETATM   31  H   UNL     1       3.192  -2.418   1.858  1.00  0.00           H  
HETATM   32  H   UNL     1       5.911  -2.430   0.839  1.00  0.00           H  
HETATM   33  H   UNL     1       5.260  -3.733   1.927  1.00  0.00           H  
HETATM   34  H   UNL     1       5.005  -3.522  -1.161  1.00  0.00           H  
HETATM   35  H   UNL     1       5.069  -5.030  -0.147  1.00  0.00           H  
HETATM   36  H   UNL     1       2.753  -3.581  -0.616  1.00  0.00           H  
HETATM   37  H   UNL     1       1.675   1.301   1.155  1.00  0.00           H  
HETATM   38  H   UNL     1       2.060   2.958   0.633  1.00  0.00           H  
HETATM   39  H   UNL     1       0.193   2.771  -1.079  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.197   2.684   1.918  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.276   4.736   1.340  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.257   1.655   1.753  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.137   3.819   1.160  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.170   1.588  -1.270  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.036  -1.331   0.851  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.866   0.475  -1.416  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.670  -3.747   0.298  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.086  -3.968   0.810  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4   11    3    3                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    5    2   30                                            
CONECT    5   10   10    6    4                                       
CONECT    6    9    7    5   31                                       
CONECT    7    8    6   32   33                                       
CONECT    8    9    7   34   35                                       
CONECT    9    8    6   36                                            
CONECT   10    5    5                                                 
CONECT   11   12    2                                                 
CONECT   12   11   13   37   38                                       
CONECT   13   19   12   14   39                                       
CONECT   14   13   16   15   40                                       
CONECT   15   14   41                                                 
CONECT   16   18   14   17   42                                       
CONECT   17   16   43                                                 
CONECT   18   19   20   16   44                                       
CONECT   19   13   18                                                 
CONECT   20   21   18   24                                            
CONECT   21   25   25   22   20                                       
CONECT   22   28   28   21   23                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   20   45                                       
CONECT   25   26   21   21                                            
CONECT   26   27   27   25   46                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   22   22                                       
CONECT   29   28   47   48                                            
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
