COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.326   4.011  -0.745  1.00  0.00           C  
HETATM    2  O   UNL     1       4.743   3.123   0.295  1.00  0.00           O  
HETATM    3  C   UNL     1       4.099   1.944   0.086  1.00  0.00           C  
HETATM    4  C   UNL     1       3.232   1.807  -0.989  1.00  0.00           C  
HETATM    5  C   UNL     1       2.579   0.608  -1.200  1.00  0.00           C  
HETATM    6  C   UNL     1       1.638   0.458  -2.367  1.00  0.00           C  
HETATM    7  C   UNL     1       2.789  -0.455  -0.340  1.00  0.00           C  
HETATM    8  C   UNL     1       3.651  -0.320   0.732  1.00  0.00           C  
HETATM    9  C   UNL     1       3.877  -1.480   1.667  1.00  0.00           C  
HETATM   10  C   UNL     1       4.312   0.875   0.943  1.00  0.00           C  
HETATM   11  C   UNL     1       5.252   1.021   2.112  1.00  0.00           C  
HETATM   12  S   UNL     1       1.955  -1.983  -0.611  1.00  0.00           S  
HETATM   13  O   UNL     1       2.760  -2.977   0.007  1.00  0.00           O  
HETATM   14  O   UNL     1       1.565  -1.973  -1.978  1.00  0.00           O  
HETATM   15  N   UNL     1       0.546  -1.939   0.259  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.498  -0.971  -0.085  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.808  -1.371   0.595  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.658  -1.276   2.013  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.927  -0.433   0.137  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.082  -0.530  -1.320  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.238  -0.833   0.817  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.312   0.164   0.463  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.513   1.275   1.260  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.495   2.192   0.933  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.282   1.991  -0.186  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.085   0.877  -0.979  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.100  -0.037  -0.655  1.00  0.00           C  
HETATM   28  H   UNL     1       4.596   3.589  -1.713  1.00  0.00           H  
HETATM   29  H   UNL     1       3.246   4.146  -0.696  1.00  0.00           H  
HETATM   30  H   UNL     1       4.819   4.975  -0.618  1.00  0.00           H  
HETATM   31  H   UNL     1       3.069   2.637  -1.661  1.00  0.00           H  
HETATM   32  H   UNL     1       2.162  -0.014  -3.198  1.00  0.00           H  
HETATM   33  H   UNL     1       0.791  -0.161  -2.073  1.00  0.00           H  
HETATM   34  H   UNL     1       1.281   1.441  -2.674  1.00  0.00           H  
HETATM   35  H   UNL     1       4.635  -2.142   1.248  1.00  0.00           H  
HETATM   36  H   UNL     1       4.215  -1.107   2.634  1.00  0.00           H  
HETATM   37  H   UNL     1       2.945  -2.030   1.795  1.00  0.00           H  
HETATM   38  H   UNL     1       6.257   0.730   1.808  1.00  0.00           H  
HETATM   39  H   UNL     1       5.259   2.059   2.445  1.00  0.00           H  
HETATM   40  H   UNL     1       4.919   0.380   2.928  1.00  0.00           H  
HETATM   41  H   UNL     1       0.413  -2.555   0.996  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.200   0.021   0.255  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.638  -0.957  -1.166  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.060  -2.396   0.324  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.436  -0.356   2.209  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.675   0.593   0.408  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.314  -1.491  -1.524  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.892   0.021  -1.563  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.536  -1.824   0.477  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.097  -0.846   1.898  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.898   1.432   2.134  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.649   3.063   1.552  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.052   2.705  -0.440  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.700   0.720  -1.853  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.945  -0.908  -1.275  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   32   33   34                                       
CONECT    7    5    5    8   12                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   35   36   37                                       
CONECT   10    3    8    8   11                                       
CONECT   11   10   38   39   40                                       
CONECT   12    7   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   41                                            
CONECT   16   15   17   42   43                                       
CONECT   17   16   18   19   44                                       
CONECT   18   17   45                                                 
CONECT   19   17   20   21   46                                       
CONECT   20   19   47   48                                            
CONECT   21   19   22   49   50                                       
CONECT   22   21   23   27   27                                       
CONECT   23   22   24   24   51                                       
CONECT   24   23   23   25   52                                       
CONECT   25   24   26   26   53                                       
CONECT   26   25   25   27   54                                       
CONECT   27   22   22   26   55                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
