COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.009   1.186   0.291  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.280   2.302   0.429  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.528   3.066   1.338  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.129  -0.048  -1.745  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.456   0.956  -1.141  1.00  0.00           C  
HETATM    6  N   UNL     1       0.467   1.663  -0.460  1.00  0.00           N  
HETATM    7  C   UNL     1       1.752   1.141  -0.275  1.00  0.00           C  
HETATM    8  C   UNL     1       2.534   1.575   0.788  1.00  0.00           C  
HETATM    9  C   UNL     1       3.802   1.058   0.968  1.00  0.00           C  
HETATM   10  C   UNL     1       4.294   0.109   0.090  1.00  0.00           C  
HETATM   11  S   UNL     1       5.912  -0.548   0.322  1.00  0.00           S  
HETATM   12  O   UNL     1       6.634   0.419   1.073  1.00  0.00           O  
HETATM   13  N   UNL     1       5.766  -1.880   1.295  1.00  0.00           N  
HETATM   14  O   UNL     1       6.338  -1.023  -0.947  1.00  0.00           O  
HETATM   15  C   UNL     1       3.518  -0.326  -0.969  1.00  0.00           C  
HETATM   16  C   UNL     1       2.247   0.183  -1.151  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.741   1.361  -1.154  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.156   2.627  -0.522  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.791   0.563  -1.798  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.916   0.266  -0.828  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.856  -1.157  -0.342  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.127  -1.489   0.969  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.480  -0.461   2.011  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.965   0.835   1.364  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.522  -2.149  -1.251  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.463  -3.470  -0.856  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.742  -3.806   0.456  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.072  -2.819   1.362  1.00  0.00           C  
HETATM   29  H   UNL     1       0.241   2.533  -0.097  1.00  0.00           H  
HETATM   30  H   UNL     1       2.150   2.316   1.473  1.00  0.00           H  
HETATM   31  H   UNL     1       4.410   1.395   1.794  1.00  0.00           H  
HETATM   32  H   UNL     1       4.892  -2.151   1.617  1.00  0.00           H  
HETATM   33  H   UNL     1       6.554  -2.388   1.543  1.00  0.00           H  
HETATM   34  H   UNL     1       3.905  -1.067  -1.652  1.00  0.00           H  
HETATM   35  H   UNL     1       1.640  -0.160  -1.975  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.504   3.325  -1.283  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.319   3.060   0.026  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.188   1.115  -2.650  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.363  -0.377  -2.148  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.846   0.356  -1.388  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.268  -0.858   2.651  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.600  -0.250   2.618  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.995   1.631   2.108  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.958   0.687   0.939  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.305  -1.886  -2.276  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.201  -4.238  -1.568  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.701  -4.838   0.771  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.289  -3.084   2.386  1.00  0.00           H  
CONECT    1   20   24    2                                            
CONECT    2    1    3    3   18                                       
CONECT    3    2    2                                                 
CONECT    4    5    5                                                 
CONECT    5   17    4    4    6                                       
CONECT    6    5    7   29                                            
CONECT    7    6    8    8   16                                       
CONECT    8    7    7    9   30                                       
CONECT    9    8   10   10   31                                       
CONECT   10    9    9   15   11                                       
CONECT   11   10   13   12   12                                       
CONECT   11   14   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   32   33                                            
CONECT   14   11   11                                                 
CONECT   15   16   16   10   34                                       
CONECT   16    7   15   15   35                                       
CONECT   17   19   18    5                                            
CONECT   18    2   17   36   37                                       
CONECT   19   20   17   38   39                                       
CONECT   20   21    1   19   40                                       
CONECT   21   25   25   22   20                                       
CONECT   22   28   28   21   23                                       
CONECT   23   22   24   41   42                                       
CONECT   24   23    1   43   44                                       
CONECT   25   26   21   21   45                                       
CONECT   26   27   27   25   46                                       
CONECT   27   26   26   28   47                                       
CONECT   28   27   22   22   48                                       
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
