COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.431  -4.950  -1.346  1.00  0.00           C  
HETATM    2  S   UNL     1       2.467  -4.480   0.405  1.00  0.00           S  
HETATM    3  O   UNL     1       1.151  -4.458   0.943  1.00  0.00           O  
HETATM    4  O   UNL     1       3.523  -5.151   1.080  1.00  0.00           O  
HETATM    5  N   UNL     1       2.932  -2.891   0.398  1.00  0.00           N  
HETATM    6  C   UNL     1       2.132  -1.958  -0.156  1.00  0.00           C  
HETATM    7  O   UNL     1       1.070  -2.283  -0.651  1.00  0.00           O  
HETATM    8  C   UNL     1       2.545  -0.547  -0.163  1.00  0.00           C  
HETATM    9  N   UNL     1       3.723  -0.054   0.365  1.00  0.00           N  
HETATM   10  C   UNL     1       3.760   1.307   0.172  1.00  0.00           C  
HETATM   11  C   UNL     1       4.690   2.290   0.496  1.00  0.00           C  
HETATM   12  C   UNL     1       4.442   3.604   0.164  1.00  0.00           C  
HETATM   13 CL   UNL     1       5.604   4.828   0.570  1.00  0.00          Cl  
HETATM   14  C   UNL     1       3.269   3.959  -0.493  1.00  0.00           C  
HETATM   15  C   UNL     1       2.343   3.013  -0.821  1.00  0.00           C  
HETATM   16  C   UNL     1       2.572   1.670  -0.493  1.00  0.00           C  
HETATM   17  C   UNL     1       1.831   0.480  -0.694  1.00  0.00           C  
HETATM   18  C   UNL     1       0.490   0.373  -1.373  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.622   0.536  -0.334  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.983   0.427  -1.023  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.022   0.580  -0.053  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.301   0.508  -0.503  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.378   0.649   0.396  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.161   0.865   1.766  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.226   0.998   2.604  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.531   0.921   2.123  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.779   0.712   0.801  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.705   0.572  -0.094  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.922   0.357  -1.466  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.859   0.225  -2.306  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.553   0.304  -1.830  1.00  0.00           C  
HETATM   32  H   UNL     1       3.423  -4.818  -1.778  1.00  0.00           H  
HETATM   33  H   UNL     1       2.131  -5.994  -1.437  1.00  0.00           H  
HETATM   34  H   UNL     1       1.717  -4.320  -1.877  1.00  0.00           H  
HETATM   35  H   UNL     1       3.779  -2.631   0.792  1.00  0.00           H  
HETATM   36  H   UNL     1       4.411  -0.581   0.800  1.00  0.00           H  
HETATM   37  H   UNL     1       5.604   2.024   1.006  1.00  0.00           H  
HETATM   38  H   UNL     1       3.089   4.994  -0.746  1.00  0.00           H  
HETATM   39  H   UNL     1       1.434   3.298  -1.331  1.00  0.00           H  
HETATM   40  H   UNL     1       0.400   1.155  -2.127  1.00  0.00           H  
HETATM   41  H   UNL     1       0.401  -0.603  -1.850  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.532  -0.246   0.420  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.533   1.512   0.143  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.073   1.209  -1.777  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.072  -0.549  -1.500  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.155   0.926   2.153  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.056   1.163   3.658  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.358   1.030   2.809  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.796   0.655   0.442  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.929   0.295  -1.852  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.031   0.060  -3.360  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.728   0.200  -2.519  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    4    4    3                                       
CONECT    2    3    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6   35                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   17   17                                       
CONECT    9    8   10   36                                            
CONECT   10    9   16   16   11                                       
CONECT   11   10   12   12   37                                       
CONECT   12   11   11   14   13                                       
CONECT   13   12                                                      
CONECT   14   15   15   12   38                                       
CONECT   15   16   14   14   39                                       
CONECT   16   17   10   10   15                                       
CONECT   17    8    8   18   16                                       
CONECT   18   17   19   40   41                                       
CONECT   19   18   20   42   43                                       
CONECT   20   19   21   44   45                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   23   31                                       
CONECT   23   24   22   22   28                                       
CONECT   24   25   25   23   46                                       
CONECT   25   24   24   26   47                                       
CONECT   26   25   27   27   48                                       
CONECT   27   26   26   28   49                                       
CONECT   28   23   27   29   29                                       
CONECT   29   28   28   30   50                                       
CONECT   30   31   31   29   51                                       
CONECT   31   22   30   30   52                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
