COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.923  -3.439   0.892  1.00  0.00           C  
HETATM    2  C   UNL     1       4.388  -3.015  -0.477  1.00  0.00           C  
HETATM    3  C   UNL     1       3.399  -1.891  -0.303  1.00  0.00           C  
HETATM    4  N   UNL     1       3.702  -0.633  -0.307  1.00  0.00           N  
HETATM    5  C   UNL     1       2.724   0.222  -0.143  1.00  0.00           C  
HETATM    6  C   UNL     1       1.504  -0.351   0.011  1.00  0.00           C  
HETATM    7  S   UNL     1       1.716  -2.098  -0.080  1.00  0.00           S  
HETATM    8  C   UNL     1       0.235   0.357   0.211  1.00  0.00           C  
HETATM    9  O   UNL     1       0.217   1.573   0.251  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.910  -0.340   0.351  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.178   0.367   0.551  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.164  -0.549   1.277  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.407  -1.805   0.437  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.988  -1.405  -0.921  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.001  -0.488  -1.648  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.758   0.767  -0.807  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.082   1.505  -0.598  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.068   0.589   0.128  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.311  -0.666  -0.712  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.488   0.189   1.486  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.305   1.278   0.323  1.00  0.00           O  
HETATM   22  C   UNL     1       2.936   1.714  -0.126  1.00  0.00           C  
HETATM   23  C   UNL     1       3.572   2.138   1.212  1.00  0.00           C  
HETATM   24  C   UNL     1       4.895   2.829   0.801  1.00  0.00           C  
HETATM   25  C   UNL     1       4.619   3.207  -0.677  1.00  0.00           C  
HETATM   26  O   UNL     1       3.848   2.090  -1.171  1.00  0.00           O  
HETATM   27  H   UNL     1       5.416  -2.592   1.368  1.00  0.00           H  
HETATM   28  H   UNL     1       4.096  -3.777   1.517  1.00  0.00           H  
HETATM   29  H   UNL     1       5.639  -4.252   0.767  1.00  0.00           H  
HETATM   30  H   UNL     1       5.215  -2.678  -1.102  1.00  0.00           H  
HETATM   31  H   UNL     1       3.895  -3.863  -0.953  1.00  0.00           H  
HETATM   32  H   UNL     1       1.983   2.225  -0.262  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.895  -1.309   0.319  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.004   1.262   1.149  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.750  -0.834   2.244  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.056   1.420  -1.325  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.464  -2.331   0.288  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.110  -2.458   0.954  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.190  -0.464   2.003  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.314   1.083   2.085  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.161  -2.299  -1.520  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.059  -1.014  -1.796  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.415  -0.203  -2.615  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.725  -0.382  -1.680  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.014  -1.320  -0.195  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.909   2.400   0.000  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.496   1.790  -1.566  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.979   0.756   0.779  1.00  0.00           H  
HETATM   49  H   UNL     1       2.923   2.838   1.738  1.00  0.00           H  
HETATM   50  H   UNL     1       3.774   1.264   1.832  1.00  0.00           H  
HETATM   51  H   UNL     1       5.072   3.720   1.404  1.00  0.00           H  
HETATM   52  H   UNL     1       5.734   2.138   0.876  1.00  0.00           H  
HETATM   53  H   UNL     1       4.040   4.128  -0.735  1.00  0.00           H  
HETATM   54  H   UNL     1       5.553   3.303  -1.229  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6   22                                       
CONECT    6    5    5    7    8                                       
CONECT    7    3    6                                                 
CONECT    8    6    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   33                                            
CONECT   11   10   12   16   34                                       
CONECT   12   11   13   20   35                                       
CONECT   13   12   14   37   38                                       
CONECT   14   13   15   19   41                                       
CONECT   15   14   16   42   43                                       
CONECT   16   11   15   17   36                                       
CONECT   17   16   18   46   47                                       
CONECT   18   17   19   20   21                                       
CONECT   19   14   18   44   45                                       
CONECT   20   12   18   39   40                                       
CONECT   21   18   48                                                 
CONECT   22    5   23   26   32                                       
CONECT   23   22   24   49   50                                       
CONECT   24   23   25   51   52                                       
CONECT   25   24   26   53   54                                       
CONECT   26   22   25                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32   22                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   16                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
