COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.156   0.522   1.535  1.00  0.00           C  
HETATM    2  C   UNL     1       4.293   0.346   0.022  1.00  0.00           C  
HETATM    3  C   UNL     1       3.728   1.562  -0.687  1.00  0.00           C  
HETATM    4  C   UNL     1       2.292   1.758  -0.177  1.00  0.00           C  
HETATM    5  C   UNL     1       1.434   0.519  -0.413  1.00  0.00           C  
HETATM    6  C   UNL     1       2.079  -0.743   0.175  1.00  0.00           C  
HETATM    7  C   UNL     1       3.457  -0.878  -0.441  1.00  0.00           C  
HETATM    8  C   UNL     1       4.307  -2.037   0.093  1.00  0.00           C  
HETATM    9  C   UNL     1       5.754  -1.563  -0.215  1.00  0.00           C  
HETATM   10  C   UNL     1       5.702  -0.042  -0.318  1.00  0.00           C  
HETATM   11  C   UNL     1       1.221  -1.950  -0.222  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.189  -1.727   0.243  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.700  -0.544   0.413  1.00  0.00           C  
HETATM   14  C   UNL     1       0.050   0.733   0.176  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.774   1.645  -0.738  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.168   1.839  -0.139  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.893   0.494  -0.074  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.144  -0.444   0.877  1.00  0.00           C  
HETATM   19  C   UNL     1       0.208   1.449   1.519  1.00  0.00           C  
HETATM   20  O   UNL     1       6.609   0.698  -0.612  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.225   0.693   0.405  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.527   0.225   0.209  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.895  -0.370  -1.589  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.060  -1.610   0.409  1.00  0.00           O  
HETATM   25  S   UNL     1      -5.253  -0.238  -0.220  1.00  0.00           S  
HETATM   26  H   UNL     1       4.818   1.321   1.869  1.00  0.00           H  
HETATM   27  H   UNL     1       3.125   0.778   1.780  1.00  0.00           H  
HETATM   28  H   UNL     1       4.427  -0.408   2.035  1.00  0.00           H  
HETATM   29  H   UNL     1       4.329   2.440  -0.453  1.00  0.00           H  
HETATM   30  H   UNL     1       3.721   1.393  -1.764  1.00  0.00           H  
HETATM   31  H   UNL     1       2.322   1.972   0.892  1.00  0.00           H  
HETATM   32  H   UNL     1       1.844   2.606  -0.695  1.00  0.00           H  
HETATM   33  H   UNL     1       1.321   0.379  -1.488  1.00  0.00           H  
HETATM   34  H   UNL     1       2.156  -0.658   1.259  1.00  0.00           H  
HETATM   35  H   UNL     1       3.386  -0.906  -1.528  1.00  0.00           H  
HETATM   36  H   UNL     1       4.161  -2.164   1.165  1.00  0.00           H  
HETATM   37  H   UNL     1       4.081  -2.961  -0.441  1.00  0.00           H  
HETATM   38  H   UNL     1       6.424  -1.860   0.592  1.00  0.00           H  
HETATM   39  H   UNL     1       6.094  -1.990  -1.158  1.00  0.00           H  
HETATM   40  H   UNL     1       1.233  -2.064  -1.306  1.00  0.00           H  
HETATM   41  H   UNL     1       1.621  -2.850   0.243  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.806  -2.590   0.445  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.279   2.612  -0.828  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.862   1.188  -1.724  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.077   2.251   0.867  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.738   2.529  -0.761  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.928   0.051  -1.069  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.605  -1.432   0.857  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.177  -0.043   1.890  1.00  0.00           H  
HETATM   50  H   UNL     1       0.702   2.408   1.363  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.774   1.614   1.962  1.00  0.00           H  
HETATM   52  H   UNL     1       0.810   0.835   2.189  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.670  -2.284   0.079  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3   10    7                                       
CONECT    3    4    2   29   30                                       
CONECT    4    3    5   31   32                                       
CONECT    5    4   14    6   33                                       
CONECT    6    5    7   11   34                                       
CONECT    7    2    6    8   35                                       
CONECT    8    7    9   36   37                                       
CONECT    9   10    8   38   39                                       
CONECT   10    2   20   20    9                                       
CONECT   11    6   12   40   41                                       
CONECT   12   13   13   11   42                                       
CONECT   13   14   18   12   12                                       
CONECT   14   19   15    5   13                                       
CONECT   15   16   14   43   44                                       
CONECT   16   15   17   45   46                                       
CONECT   17   16   21   18   47                                       
CONECT   18   17   13   48   49                                       
CONECT   19   14   50   51   52                                       
CONECT   20   10   10                                                 
CONECT   21   25   17                                                 
CONECT   22   25   25                                                 
CONECT   23   25   25                                                 
CONECT   24   25   53                                                 
CONECT   25   23   23   22   22                                       
CONECT   25   21   24                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   24                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
