COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.002   2.515  -1.316  1.00  0.00           O  
HETATM    2  S   UNL     1       4.712   1.640  -0.449  1.00  0.00           S  
HETATM    3  O   UNL     1       6.031   1.243  -0.794  1.00  0.00           O  
HETATM    4  C   UNL     1       4.744   2.372   1.211  1.00  0.00           C  
HETATM    5  C   UNL     1       3.710   0.152  -0.183  1.00  0.00           C  
HETATM    6  C   UNL     1       3.544  -0.595  -1.508  1.00  0.00           C  
HETATM    7  C   UNL     1       4.397  -0.744   0.815  1.00  0.00           C  
HETATM    8  N   UNL     1       5.677  -1.117   0.617  1.00  0.00           N  
HETATM    9  O   UNL     1       6.323  -1.958   1.555  1.00  0.00           O  
HETATM   10  O   UNL     1       3.798  -1.130   1.797  1.00  0.00           O  
HETATM   11  C   UNL     1       2.334   0.551   0.353  1.00  0.00           C  
HETATM   12  C   UNL     1       1.444  -0.690   0.449  1.00  0.00           C  
HETATM   13  O   UNL     1       1.162  -1.220  -0.878  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.157  -1.183  -1.102  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.665  -1.567  -2.136  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.866  -0.682  -0.081  1.00  0.00           N  
HETATM   17  C   UNL     1       0.056  -0.317   1.005  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.256  -0.532  -0.053  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.029  -1.037  -1.091  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.399  -0.891  -1.066  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.010  -0.234   0.003  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.231   0.273   1.044  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.861   0.119   1.016  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.434  -0.080   0.032  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.601   0.047   0.056  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.064   0.205   0.085  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.671   0.935   1.285  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.625   1.619  -0.083  1.00  0.00           C  
HETATM   29  H   UNL     1       3.725   2.593   1.530  1.00  0.00           H  
HETATM   30  H   UNL     1       5.199   1.669   1.908  1.00  0.00           H  
HETATM   31  H   UNL     1       5.326   3.293   1.191  1.00  0.00           H  
HETATM   32  H   UNL     1       4.522  -0.743  -1.967  1.00  0.00           H  
HETATM   33  H   UNL     1       3.079  -1.563  -1.324  1.00  0.00           H  
HETATM   34  H   UNL     1       2.914  -0.010  -2.178  1.00  0.00           H  
HETATM   35  H   UNL     1       6.156  -0.808  -0.168  1.00  0.00           H  
HETATM   36  H   UNL     1       7.239  -2.171   1.328  1.00  0.00           H  
HETATM   37  H   UNL     1       2.445   0.997   1.341  1.00  0.00           H  
HETATM   38  H   UNL     1       1.877   1.274  -0.323  1.00  0.00           H  
HETATM   39  H   UNL     1       1.916  -1.449   1.072  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.163  -0.893   1.904  1.00  0.00           H  
HETATM   41  H   UNL     1       0.001   0.752   1.211  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.556  -1.545  -1.918  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.000  -1.284  -1.873  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.700   0.782   1.873  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.258   0.507   1.823  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.634  -0.618  -0.345  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.642   0.592   1.644  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.987   1.297   2.053  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.910   2.431  -0.215  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.565   1.726  -0.624  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    3    4    5                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2   29   30   31                                       
CONECT    5    7    2    6   11                                       
CONECT    6    5   32   33   34                                       
CONECT    7    8   10   10    5                                       
CONECT    8    9    7   35                                            
CONECT    9    8   36                                                 
CONECT   10    7    7                                                 
CONECT   11    5   12   37   38                                       
CONECT   12   11   13   17   39                                       
CONECT   13   12   14                                                 
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   18                                            
CONECT   17   12   16   40   41                                       
CONECT   18   16   19   19   23                                       
CONECT   19   18   18   20   42                                       
CONECT   20   19   21   21   43                                       
CONECT   21   20   20   22   24                                       
CONECT   22   23   23   21   44                                       
CONECT   23   18   22   22   45                                       
CONECT   24   21   25   25   25                                       
CONECT   25   24   24   24   26                                       
CONECT   26   25   28   27   46                                       
CONECT   27   28   26   47   48                                       
CONECT   28   26   27   49   50                                       
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
