COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.715   0.422  -1.773  1.00  0.00           O  
HETATM    2  S   UNL     1       5.084   0.223  -0.415  1.00  0.00           S  
HETATM    3  O   UNL     1       6.295  -0.438  -0.075  1.00  0.00           O  
HETATM    4  C   UNL     1       4.915   1.765   0.524  1.00  0.00           C  
HETATM    5  C   UNL     1       5.114   1.480   2.013  1.00  0.00           C  
HETATM    6  C   UNL     1       5.969   2.769   0.051  1.00  0.00           C  
HETATM    7  N   UNL     1       3.898  -0.762   0.190  1.00  0.00           N  
HETATM    8  C   UNL     1       2.488  -0.409   0.005  1.00  0.00           C  
HETATM    9  C   UNL     1       1.613  -1.627   0.309  1.00  0.00           C  
HETATM   10  C   UNL     1       1.893  -2.725  -0.719  1.00  0.00           C  
HETATM   11  C   UNL     1       0.160  -1.232   0.239  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.646  -1.373   1.354  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.360  -0.724  -0.938  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.688  -0.355  -1.006  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.506  -0.495   0.114  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.977  -1.013   1.296  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.934  -0.101   0.047  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.749  -0.242   1.170  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.459   0.417  -1.137  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.784   0.784  -1.200  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.603   0.638  -0.078  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.075   0.124   1.110  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.982   1.019  -0.142  1.00  0.00           C  
HETATM   24  N   UNL     1      -9.076   1.322  -0.193  1.00  0.00           N  
HETATM   25  H   UNL     1       3.920   2.181   0.363  1.00  0.00           H  
HETATM   26  H   UNL     1       5.012   2.407   2.578  1.00  0.00           H  
HETATM   27  H   UNL     1       4.363   0.765   2.350  1.00  0.00           H  
HETATM   28  H   UNL     1       6.109   1.064   2.174  1.00  0.00           H  
HETATM   29  H   UNL     1       5.826   2.972  -1.010  1.00  0.00           H  
HETATM   30  H   UNL     1       5.867   3.695   0.615  1.00  0.00           H  
HETATM   31  H   UNL     1       6.963   2.353   0.211  1.00  0.00           H  
HETATM   32  H   UNL     1       4.136  -1.572   0.666  1.00  0.00           H  
HETATM   33  H   UNL     1       2.226   0.405   0.682  1.00  0.00           H  
HETATM   34  H   UNL     1       2.324  -0.092  -1.025  1.00  0.00           H  
HETATM   35  H   UNL     1       1.841  -1.997   1.308  1.00  0.00           H  
HETATM   36  H   UNL     1       1.665  -2.354  -1.718  1.00  0.00           H  
HETATM   37  H   UNL     1       2.944  -3.010  -0.668  1.00  0.00           H  
HETATM   38  H   UNL     1       1.270  -3.592  -0.502  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.234  -1.765   2.272  1.00  0.00           H  
HETATM   40  H   UNL     1       0.275  -0.615  -1.805  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.092   0.046  -1.924  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.607  -1.125   2.167  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.340  -0.640   2.088  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.825   0.530  -2.004  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.190   1.185  -2.117  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.706   0.014   1.979  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    7    4                                       
CONECT    2    3    3                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    6   25                                       
CONECT    5    4   26   27   28                                       
CONECT    6    4   29   30   31                                       
CONECT    7    8    2   32                                            
CONECT    8    9    7   33   34                                       
CONECT    9   10   11    8   35                                       
CONECT   10    9   36   37   38                                       
CONECT   11   13   13   12    9                                       
CONECT   12   11   16   16   39                                       
CONECT   13   14   11   11   40                                       
CONECT   14   15   15   13   41                                       
CONECT   15   14   14   17   16                                       
CONECT   16   15   12   12   42                                       
CONECT   17   19   15   18   18                                       
CONECT   18   17   17   22   43                                       
CONECT   19   20   20   17   44                                       
CONECT   20   19   19   21   45                                       
CONECT   21   20   23   22   22                                       
CONECT   22   21   21   18   46                                       
CONECT   23   21   24   24   24                                       
CONECT   24   23   23   23                                            
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
