COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.115  -2.541  -0.023  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.095  -2.523   1.185  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.581  -3.562   1.862  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.641  -1.333   1.931  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.134  -0.341   0.972  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.391  -0.325   0.410  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.501  -1.153   0.542  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.651  -0.882  -0.165  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.716   0.219  -1.017  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.860   0.472  -1.708  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.951  -0.430  -1.511  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.628   1.053  -1.163  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.452   0.789  -0.450  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.193   1.435  -0.380  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.417   0.736   0.489  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.031   1.069   0.851  1.00  0.00           C  
HETATM   17  O   UNL     1       0.608   0.318   1.564  1.00  0.00           O  
HETATM   18  N   UNL     1       0.531   2.205   0.393  1.00  0.00           N  
HETATM   19  S   UNL     1       2.130   2.516   0.691  1.00  0.00           S  
HETATM   20  O   UNL     1       2.422   3.754   0.058  1.00  0.00           O  
HETATM   21  O   UNL     1       2.332   2.286   2.079  1.00  0.00           O  
HETATM   22  C   UNL     1       3.067   1.289  -0.158  1.00  0.00           C  
HETATM   23  C   UNL     1       3.375   0.124   0.475  1.00  0.00           C  
HETATM   24  C   UNL     1       4.118  -0.859  -0.201  1.00  0.00           C  
HETATM   25  C   UNL     1       4.455  -2.074   0.419  1.00  0.00           C  
HETATM   26  C   UNL     1       5.175  -3.004  -0.267  1.00  0.00           C  
HETATM   27  C   UNL     1       5.584  -2.769  -1.578  1.00  0.00           C  
HETATM   28  C   UNL     1       5.276  -1.604  -2.211  1.00  0.00           C  
HETATM   29  C   UNL     1       4.534  -0.621  -1.535  1.00  0.00           C  
HETATM   30  C   UNL     1       4.196   0.594  -2.155  1.00  0.00           C  
HETATM   31  C   UNL     1       3.476   1.523  -1.469  1.00  0.00           C  
HETATM   32  H   UNL     1      -0.238  -4.300   1.341  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.460  -1.653   2.576  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.852  -0.891   2.538  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.461  -2.009   1.199  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.509  -1.528  -0.059  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.798  -0.114  -2.119  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.648  -1.435  -1.804  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.237  -0.430  -0.459  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.682   1.905  -1.825  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.904   2.325  -0.918  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.001   2.840  -0.111  1.00  0.00           H  
HETATM   43  H   UNL     1       3.052  -0.043   1.492  1.00  0.00           H  
HETATM   44  H   UNL     1       4.145  -2.269   1.435  1.00  0.00           H  
HETATM   45  H   UNL     1       5.433  -3.937   0.212  1.00  0.00           H  
HETATM   46  H   UNL     1       6.155  -3.523  -2.100  1.00  0.00           H  
HETATM   47  H   UNL     1       5.601  -1.436  -3.227  1.00  0.00           H  
HETATM   48  H   UNL     1       4.506   0.789  -3.171  1.00  0.00           H  
HETATM   49  H   UNL     1       3.214   2.454  -1.950  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   32                                                 
CONECT    4    2    5   33   34                                       
CONECT    5   15    4    6                                            
CONECT    6    5   13    7    7                                       
CONECT    7    6    6    8   35                                       
CONECT    8    9    9    7   36                                       
CONECT    9   12   10    8    8                                       
CONECT   10    9   11                                                 
CONECT   11   10   37   38   39                                       
CONECT   12   13   13    9   40                                       
CONECT   13   14   12   12    6                                       
CONECT   14   15   15   13   41                                       
CONECT   15   16   14   14    5                                       
CONECT   16   18   17   17   15                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   42                                            
CONECT   19   22   20   20   21                                       
CONECT   19   21   18                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   23   23   31   19                                       
CONECT   23   24   22   22   43                                       
CONECT   24   25   25   29   23                                       
CONECT   25   26   24   24   44                                       
CONECT   26   27   27   25   45                                       
CONECT   27   26   26   28   46                                       
CONECT   28   27   29   29   47                                       
CONECT   29   28   28   24   30                                       
CONECT   30   29   31   31   48                                       
CONECT   31   30   30   22   49                                       
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
