COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.890  -0.150   1.714  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.222  -0.076  -0.019  1.00  0.00           C  
HETATM    3  C   UNL     1       2.174   0.645   0.583  1.00  0.00           C  
HETATM    4  C   UNL     1       2.643  -0.457   1.276  1.00  0.00           C  
HETATM    5  C   UNL     1       0.023  -1.425   0.005  1.00  0.00           C  
HETATM    6  C   UNL     1       3.190   1.622   0.574  1.00  0.00           C  
HETATM    7  C   UNL     1       2.955   2.856  -0.065  1.00  0.00           C  
HETATM    8  C   UNL     1       4.053  -3.718  -1.721  1.00  0.00           C  
HETATM    9  C   UNL     1       3.127  -3.317  -0.571  1.00  0.00           C  
HETATM   10  C   UNL     1       1.464   4.372  -1.208  1.00  0.00           C  
HETATM   11  C   UNL     1       2.013  -2.314  -0.878  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.867   0.264   1.183  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.081  -2.280  -0.225  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.350  -1.787  -0.394  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.523   0.430  -0.153  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.587  -0.424  -0.341  1.00  0.00           C  
HETATM   17  C   UNL     1       0.709   2.163  -0.561  1.00  0.00           C  
HETATM   18  C   UNL     1       0.865   0.928  -0.007  1.00  0.00           C  
HETATM   19  C   UNL     1       1.955  -1.789   1.468  1.00  0.00           C  
HETATM   20  C   UNL     1       4.568  -2.805  -0.606  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.338   0.683   1.156  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.742  -1.121   1.822  1.00  0.00           C  
HETATM   23  N   UNL     1       4.234   1.100   1.276  1.00  0.00           N  
HETATM   24  N   UNL     1       1.163  -2.147   0.309  1.00  0.00           N  
HETATM   25  N   UNL     1       1.724   3.073  -0.583  1.00  0.00           N  
HETATM   26  O   UNL     1       3.832   3.700  -0.147  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.904  -0.783  -1.271  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.040   1.522  -1.020  1.00  0.00           O  
HETATM   29  S   UNL     1      -4.223   0.207  -0.512  1.00  0.00           S  
HETATM   30  H   UNL     1       4.513  -0.791   2.320  1.00  0.00           H  
HETATM   31  H   UNL     1       4.417  -4.745  -1.740  1.00  0.00           H  
HETATM   32  H   UNL     1       3.869  -3.266  -2.696  1.00  0.00           H  
HETATM   33  H   UNL     1       2.881  -4.081   0.167  1.00  0.00           H  
HETATM   34  H   UNL     1       2.361   4.989  -1.150  1.00  0.00           H  
HETATM   35  H   UNL     1       1.192   4.225  -2.253  1.00  0.00           H  
HETATM   36  H   UNL     1       0.647   4.870  -0.687  1.00  0.00           H  
HETATM   37  H   UNL     1       2.453  -1.354  -1.147  1.00  0.00           H  
HETATM   38  H   UNL     1       1.410  -2.683  -1.708  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.921  -3.347  -0.268  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.170  -2.467  -0.568  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.692   1.496  -0.109  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.244   2.428  -0.994  1.00  0.00           H  
HETATM   43  H   UNL     1       2.709  -2.558   1.637  1.00  0.00           H  
HETATM   44  H   UNL     1       1.304  -1.731   2.341  1.00  0.00           H  
HETATM   45  H   UNL     1       5.271  -3.232   0.109  1.00  0.00           H  
HETATM   46  H   UNL     1       4.723  -1.754  -0.848  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.725   0.717   2.175  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.427   1.669   0.701  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.911  -0.039   0.574  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.129  -1.087   2.840  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.315  -1.842   1.240  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.694  -1.419   1.841  1.00  0.00           H  
HETATM   53  H   UNL     1       5.082   1.542   1.438  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.294   0.986   1.765  1.00  0.00           H  
CONECT    1    4    4   23   30                                       
CONECT    2    5    5   15   18                                       
CONECT    3    4    6    6   18                                       
CONECT    4    1    1    3   19                                       
CONECT    5    2    2   13   24                                       
CONECT    6    3    3    7   23                                       
CONECT    7    6   25   26   26                                       
CONECT    8    9   20   31   32                                       
CONECT    9    8   11   20   33                                       
CONECT   10   25   34   35   36                                       
CONECT   11    9   24   37   38                                       
CONECT   12   21   22   29   54                                       
CONECT   13    5   14   14   39                                       
CONECT   14   13   13   16   40                                       
CONECT   15    2   16   16   41                                       
CONECT   16   14   15   15   29                                       
CONECT   17   18   18   25   42                                       
CONECT   18    2    3   17   17                                       
CONECT   19    4   24   43   44                                       
CONECT   20    8    9   45   46                                       
CONECT   21   12   47   48   49                                       
CONECT   22   12   50   51   52                                       
CONECT   23    1    6   53                                            
CONECT   24    5   11   19                                            
CONECT   25    7   10   17                                            
CONECT   26    7    7                                                 
CONECT   27   29   29                                                 
CONECT   28   29   29                                                 
CONECT   29   12   16   27   27                                       
CONECT   29   28   28                                                 
CONECT   30    1                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   12                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
