COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -2.184   1.195   1.555  1.00  0.00           S  
HETATM    2  N   UNL     1      -0.785   0.351   1.283  1.00  0.00           N  
HETATM    3  C   UNL     1       1.361  -0.100   0.318  1.00  0.00           C  
HETATM    4  C   UNL     1       0.806  -1.437   0.881  1.00  0.00           C  
HETATM    5  C   UNL     1       2.839   0.024   0.585  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.749   1.786  -0.006  1.00  0.00           C  
HETATM    7  C   UNL     1       0.559   0.938   1.141  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.678  -1.110   1.150  1.00  0.00           C  
HETATM    9  N   UNL     1       3.483   1.171   0.290  1.00  0.00           N  
HETATM   10  C   UNL     1       0.936  -2.540  -0.138  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.823  -6.780  -0.884  1.00  0.00           N  
HETATM   12  O   UNL     1      -3.146   0.246   1.997  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.820   2.342   2.311  1.00  0.00           O  
HETATM   14  C   UNL     1       0.091  -6.137  -0.260  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.200   0.893  -0.961  1.00  0.00           C  
HETATM   16  O   UNL     1       3.449  -0.908   1.065  1.00  0.00           O  
HETATM   17  O   UNL     1       1.425  -2.307  -1.224  1.00  0.00           O  
HETATM   18  N   UNL     1       0.510  -3.784   0.157  1.00  0.00           N  
HETATM   19  O   UNL     1       4.900   3.011  -1.179  1.00  0.00           O  
HETATM   20 CL   UNL     1      -3.212  -0.810  -0.623  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -2.745   3.141  -0.274  1.00  0.00           C  
HETATM   22  C   UNL     1       2.763   2.317  -0.287  1.00  0.00           C  
HETATM   23  C   UNL     1       4.925   1.316   0.542  1.00  0.00           C  
HETATM   24  C   UNL     1       0.637  -4.856  -0.834  1.00  0.00           C  
HETATM   25  C   UNL     1       5.589   1.839  -0.737  1.00  0.00           C  
HETATM   26  C   UNL     1       3.527   2.793  -1.527  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.643   1.357  -2.187  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.189   3.605  -1.498  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.634   2.713  -2.456  1.00  0.00           C  
HETATM   30  H   UNL     1       1.149  -0.004  -0.747  1.00  0.00           H  
HETATM   31  H   UNL     1       1.315  -1.707   1.806  1.00  0.00           H  
HETATM   32  H   UNL     1       0.504   1.886   0.605  1.00  0.00           H  
HETATM   33  H   UNL     1       1.016   1.082   2.120  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.002  -1.591   2.073  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.291  -1.452   0.316  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.164  -6.441  -1.726  1.00  0.00           H  
HETATM   37  H   UNL     1       0.471  -6.514   0.678  1.00  0.00           H  
HETATM   38  H   UNL     1       0.120  -3.970   1.025  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.397   3.839   0.474  1.00  0.00           H  
HETATM   40  H   UNL     1       1.755   2.012  -0.571  1.00  0.00           H  
HETATM   41  H   UNL     1       2.710   3.123   0.444  1.00  0.00           H  
HETATM   42  H   UNL     1       5.087   2.023   1.355  1.00  0.00           H  
HETATM   43  H   UNL     1       5.351   0.348   0.807  1.00  0.00           H  
HETATM   44  H   UNL     1       1.688  -4.991  -1.090  1.00  0.00           H  
HETATM   45  H   UNL     1       0.076  -4.591  -1.730  1.00  0.00           H  
HETATM   46  H   UNL     1       5.536   1.072  -1.511  1.00  0.00           H  
HETATM   47  H   UNL     1       6.632   2.083  -0.537  1.00  0.00           H  
HETATM   48  H   UNL     1       3.090   3.724  -1.890  1.00  0.00           H  
HETATM   49  H   UNL     1       3.467   2.034  -2.307  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.996   0.661  -2.933  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.186   4.665  -1.707  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.980   3.076  -3.412  1.00  0.00           H  
CONECT    1   12   12    2    6                                       
CONECT    1   13   13                                                 
CONECT    2    8    1    7                                            
CONECT    3    4    7    5   30                                       
CONECT    4    8   10    3   31                                       
CONECT    5    3    9   16   16                                       
CONECT    6   15    1   21   21                                       
CONECT    7    2    3   32   33                                       
CONECT    8    2    4   34   35                                       
CONECT    9   22    5   23                                            
CONECT   10   17   17   18    4                                       
CONECT   11   14   14   36                                            
CONECT   12    1    1                                                 
CONECT   13    1    1                                                 
CONECT   14   11   11   24   37                                       
CONECT   15   20   27   27    6                                       
CONECT   16    5    5                                                 
CONECT   17   10   10                                                 
CONECT   18   24   10   38                                            
CONECT   19   26   25                                                 
CONECT   20   15                                                      
CONECT   21    6    6   28   39                                       
CONECT   22   26    9   40   41                                       
CONECT   23    9   25   42   43                                       
CONECT   24   14   18   44   45                                       
CONECT   25   19   23   46   47                                       
CONECT   26   22   19   48   49                                       
CONECT   27   15   15   29   50                                       
CONECT   28   29   29   21   51                                       
CONECT   29   27   28   28   52                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
