COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK     1       4.828   1.095  -1.107  1.00  0.00           O  
HETATM    2  C   UNK     1       4.521  -0.145  -0.695  1.00  0.00           C  
HETATM    3  O   UNK     1       5.211  -0.696   0.130  1.00  0.00           O  
HETATM    4  C   UNK     1       3.315  -0.850  -1.260  1.00  0.00           C  
HETATM    5  N   UNK     1       3.448  -2.297  -1.046  1.00  0.00           N  
HETATM    6  C   UNK     1       2.053  -0.345  -0.558  1.00  0.00           C  
HETATM    7  S   UNK     1       0.601  -1.194  -1.238  1.00  0.00           S  
HETATM    8  C   UNK     1      -0.748  -0.612  -0.174  1.00  0.00           C  
HETATM    9  C   UNK     1      -2.062  -1.125  -0.704  1.00  0.00           C  
HETATM   10  C   UNK     1      -2.117  -2.345  -1.352  1.00  0.00           C  
HETATM   11  C   UNK     1      -3.323  -2.815  -1.839  1.00  0.00           C  
HETATM   12  C   UNK     1      -4.473  -2.066  -1.676  1.00  0.00           C  
HETATM   13  C   UNK     1      -4.418  -0.846  -1.027  1.00  0.00           C  
HETATM   14  C   UNK     1      -3.214  -0.379  -0.536  1.00  0.00           C  
HETATM   15  C   UNK     1      -0.538  -1.123   1.228  1.00  0.00           C  
HETATM   16  C   UNK     1      -1.391  -0.730   2.242  1.00  0.00           C  
HETATM   17  C   UNK     1      -1.197  -1.198   3.528  1.00  0.00           C  
HETATM   18  C   UNK     1      -0.151  -2.060   3.800  1.00  0.00           C  
HETATM   19  C   UNK     1       0.702  -2.453   2.786  1.00  0.00           C  
HETATM   20  C   UNK     1       0.505  -1.989   1.498  1.00  0.00           C  
HETATM   21  C   UNK     1      -0.765   0.895  -0.163  1.00  0.00           C  
HETATM   22  C   UNK     1      -1.145   1.589  -1.296  1.00  0.00           C  
HETATM   23  C   UNK     1      -1.161   2.971  -1.288  1.00  0.00           C  
HETATM   24  C   UNK     1      -0.795   3.661  -0.141  1.00  0.00           C  
HETATM   25  O   UNK     1      -0.811   5.020  -0.131  1.00  0.00           O  
HETATM   26  C   UNK     1      -0.422   5.664   1.084  1.00  0.00           C  
HETATM   27  C   UNK     1      -0.415   2.961   0.995  1.00  0.00           C  
HETATM   28  C   UNK     1      -0.406   1.580   0.983  1.00  0.00           C  
HETATM   29  H   UNK     1       5.610   1.507  -0.715  1.00  0.00           H  
HETATM   30  H   UNK     1       3.242  -0.645  -2.328  1.00  0.00           H  
HETATM   31  H   UNK     1       4.239  -2.666  -1.554  1.00  0.00           H  
HETATM   32  H   UNK     1       3.517  -2.512  -0.063  1.00  0.00           H  
HETATM   33  H   UNK     1       2.125  -0.549   0.511  1.00  0.00           H  
HETATM   34  H   UNK     1       1.953   0.729  -0.716  1.00  0.00           H  
HETATM   35  H   UNK     1      -1.219  -2.930  -1.480  1.00  0.00           H  
HETATM   36  H   UNK     1      -3.366  -3.768  -2.346  1.00  0.00           H  
HETATM   37  H   UNK     1      -5.415  -2.433  -2.057  1.00  0.00           H  
HETATM   38  H   UNK     1      -5.317  -0.261  -0.901  1.00  0.00           H  
HETATM   39  H   UNK     1      -3.171   0.574  -0.029  1.00  0.00           H  
HETATM   40  H   UNK     1      -2.208  -0.056   2.030  1.00  0.00           H  
HETATM   41  H   UNK     1      -1.864  -0.891   4.320  1.00  0.00           H  
HETATM   42  H   UNK     1       0.000  -2.426   4.805  1.00  0.00           H  
HETATM   43  H   UNK     1       1.519  -3.126   2.998  1.00  0.00           H  
HETATM   44  H   UNK     1       1.172  -2.296   0.706  1.00  0.00           H  
HETATM   45  H   UNK     1      -1.429   1.052  -2.189  1.00  0.00           H  
HETATM   46  H   UNK     1      -1.457   3.513  -2.174  1.00  0.00           H  
HETATM   47  H   UNK     1      -1.092   5.357   1.888  1.00  0.00           H  
HETATM   48  H   UNK     1       0.600   5.380   1.335  1.00  0.00           H  
HETATM   49  H   UNK     1      -0.479   6.745   0.957  1.00  0.00           H  
HETATM   50  H   UNK     1      -0.130   3.497   1.889  1.00  0.00           H  
HETATM   51  H   UNK     1      -0.110   1.035   1.868  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    6    5    2   30                                       
CONECT    5    4   31   32                                            
CONECT    6    7    4   33   34                                       
CONECT    7    8    6                                                 
CONECT    8    9   21   15    7                                       
CONECT    9   10   10   14    8                                       
CONECT   10   11    9    9   35                                       
CONECT   11   12   12   10   36                                       
CONECT   12   11   11   13   37                                       
CONECT   13   12   14   14   38                                       
CONECT   14   13   13    9   39                                       
CONECT   15   20    8   16   16                                       
CONECT   16   15   15   17   40                                       
CONECT   17   18   18   16   41                                       
CONECT   18   19   17   17   42                                       
CONECT   19   20   20   18   43                                       
CONECT   20   19   19   15   44                                       
CONECT   21   28    8   22   22                                       
CONECT   22   21   21   23   45                                       
CONECT   23   24   24   22   46                                       
CONECT   24   27   25   23   23                                       
CONECT   25   24   26                                                 
CONECT   26   25   47   48   49                                       
CONECT   27   28   28   24   50                                       
CONECT   28   27   27   21   51                                       
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
