COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.714   0.762   2.727  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.924  -0.554   2.023  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.110  -1.709   2.759  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.303  -2.917   2.113  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.506  -4.176   2.915  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.310  -2.968   0.732  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.521  -4.283   0.027  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.124  -1.812  -0.004  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.936  -0.605   0.642  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.733   0.655  -0.160  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.866   1.622   0.095  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.290   1.393  -0.177  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.137   1.964   0.487  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.694   0.477  -1.248  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.975   0.067  -1.502  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.068  -0.794  -2.568  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.906  -1.082  -3.169  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.611  -0.266  -2.417  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.315   2.739   0.623  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.995   3.849   0.994  1.00  0.00           O  
HETATM   21  C   UNL     1       0.146   2.556   0.730  1.00  0.00           C  
HETATM   22  O   UNL     1       0.922   3.382   1.167  1.00  0.00           O  
HETATM   23  N   UNL     1       0.491   1.338   0.274  1.00  0.00           N  
HETATM   24  C   UNL     1       1.787   0.816   0.222  1.00  0.00           C  
HETATM   25  C   UNL     1       2.003  -0.461  -0.280  1.00  0.00           C  
HETATM   26  C   UNL     1       3.285  -0.974  -0.330  1.00  0.00           C  
HETATM   27  C   UNL     1       2.861   1.575   0.669  1.00  0.00           C  
HETATM   28  C   UNL     1       4.140   1.056   0.617  1.00  0.00           C  
HETATM   29  C   UNL     1       4.352  -0.218   0.121  1.00  0.00           C  
HETATM   30  C   UNL     1       5.748  -0.781   0.067  1.00  0.00           C  
HETATM   31  C   UNL     1       6.381  -0.428  -1.255  1.00  0.00           C  
HETATM   32  O   UNL     1       5.762   0.215  -2.069  1.00  0.00           O  
HETATM   33  O   UNL     1       7.633  -0.828  -1.527  1.00  0.00           O  
HETATM   34  H   UNL     1       0.351   0.992   2.756  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.242   1.550   2.190  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.098   0.695   3.745  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.105  -1.669   3.838  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.569  -4.317   3.107  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.121  -5.029   2.355  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.973  -4.093   3.862  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.586  -4.438  -0.143  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.997  -4.272  -0.929  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.131  -5.093   0.645  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.129  -1.852  -1.083  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.827   0.388  -0.921  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.009  -1.211  -2.895  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.804  -1.740  -4.020  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.436   4.551   1.353  1.00  0.00           H  
HETATM   49  H   UNL     1       1.171  -1.052  -0.632  1.00  0.00           H  
HETATM   50  H   UNL     1       3.454  -1.966  -0.720  1.00  0.00           H  
HETATM   51  H   UNL     1       2.697   2.570   1.056  1.00  0.00           H  
HETATM   52  H   UNL     1       4.976   1.646   0.963  1.00  0.00           H  
HETATM   53  H   UNL     1       6.342  -0.360   0.878  1.00  0.00           H  
HETATM   54  H   UNL     1       5.707  -1.865   0.172  1.00  0.00           H  
HETATM   55  H   UNL     1       7.997  -0.577  -2.388  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.674   0.418  -1.222  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    3    3    9    1                                       
CONECT    3    4    2    2   37                                       
CONECT    4    5    6    6    3                                       
CONECT    5    4   38   39   40                                       
CONECT    6    7    4    4    8                                       
CONECT    7    6   41   42   43                                       
CONECT    8    6    9    9   44                                       
CONECT    9    8    8    2   10                                       
CONECT   10    9   11   23   56                                       
CONECT   11   12   10   19   19                                       
CONECT   12   14   13   13   11                                       
CONECT   13   12   12                                                 
CONECT   14   15   15   18   12                                       
CONECT   15   16   14   14   45                                       
CONECT   16   17   17   15   46                                       
CONECT   17   16   16   18   47                                       
CONECT   18   17   14                                                 
CONECT   19   11   11   20   21                                       
CONECT   20   19   48                                                 
CONECT   21   19   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   10   24   21                                            
CONECT   24   25   23   27   27                                       
CONECT   25   26   26   24   49                                       
CONECT   26   25   25   29   50                                       
CONECT   27   24   24   28   51                                       
CONECT   28   29   29   27   52                                       
CONECT   29   26   28   28   30                                       
CONECT   30   29   31   53   54                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   55                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   33                                                      
CONECT   56   10                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
