COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -4.205   1.549  -1.496  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.063   1.169   0.596  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.053   2.909  -1.328  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.919   2.531   0.761  1.00  0.00           C  
HETATM    5  C   UNL     1       3.263   1.123   0.601  1.00  0.00           C  
HETATM    6  C   UNL     1       3.890  -1.184   0.773  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.713   0.670  -0.532  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.880  -1.740  -0.268  1.00  0.00           C  
HETATM    9  C   UNL     1       3.091  -0.126   1.167  1.00  0.00           C  
HETATM   10  C   UNL     1       5.033   0.257  -0.768  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.411   3.404  -0.201  1.00  0.00           C  
HETATM   12  C   UNL     1       4.232   1.319  -0.366  1.00  0.00           C  
HETATM   13  C   UNL     1       4.865  -0.995  -0.189  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.881  -0.793  -0.706  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.228  -3.047  -0.521  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.618  -1.346   0.377  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.343  -0.973   2.331  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.419  -4.278  -0.201  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.591   5.184   1.144  1.00  0.00           C  
HETATM   20  C   UNL     1       2.030  -0.336   2.216  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.940  -1.308  -1.263  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.553  -1.231   1.718  1.00  0.00           N  
HETATM   23  N   UNL     1       6.017   0.452  -1.742  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.261  -0.963   3.630  1.00  0.00           N  
HETATM   25  N   UNL     1       0.774  -0.726   1.569  1.00  0.00           N  
HETATM   26  O   UNL     1      -0.633  -1.124  -0.301  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.262   4.744  -0.038  1.00  0.00           O  
HETATM   28  S   UNL     1      -4.770  -2.992  -1.275  1.00  0.00           S  
HETATM   29 CL   UNL     1       4.446   2.887  -1.077  1.00  0.00          Cl  
HETATM   30 CL   UNL     1       5.863  -2.325  -0.687  1.00  0.00          Cl  
HETATM   31  H   UNL     1      -4.709   1.166  -2.371  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.681   0.491   1.344  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.434   3.591  -2.074  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.424   2.918   1.639  1.00  0.00           H  
HETATM   35  H   UNL     1       2.637   1.947   0.911  1.00  0.00           H  
HETATM   36  H   UNL     1       3.753  -2.158   1.218  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.677  -4.633   0.797  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.639  -5.057  -0.931  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.357  -4.035  -0.237  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.540   6.273   1.149  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.140   4.842   2.022  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.582   4.773   1.164  1.00  0.00           H  
HETATM   43  H   UNL     1       2.346  -1.124   2.900  1.00  0.00           H  
HETATM   44  H   UNL     1       1.880   0.589   2.772  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.356  -1.330   2.253  1.00  0.00           H  
HETATM   46  H   UNL     1       6.583  -0.287  -2.014  1.00  0.00           H  
HETATM   47  H   UNL     1       6.134   1.326  -2.146  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.031  -1.208   4.167  1.00  0.00           H  
HETATM   49  H   UNL     1       0.731  -0.810   0.604  1.00  0.00           H  
CONECT    1    3    7    7   31                                       
CONECT    2    4    4    7   32                                       
CONECT    3   11   11    1   33                                       
CONECT    4   11    2    2   34                                       
CONECT    5   12    9    9   35                                       
CONECT    6   13   13    9   36                                       
CONECT    7    1    1    2   14                                       
CONECT    8   14   15   15   16                                       
CONECT    9    5    5    6   20                                       
CONECT   10   23   12   12   13                                       
CONECT   11   27    3    3    4                                       
CONECT   12   29   10   10    5                                       
CONECT   13   10   30    6    6                                       
CONECT   14    7   21   21    8                                       
CONECT   15   28    8    8   18                                       
CONECT   16    8   26   26   22                                       
CONECT   17   25   22   24   24                                       
CONECT   18   15   37   38   39                                       
CONECT   19   27   40   41   42                                       
CONECT   20    9   25   43   44                                       
CONECT   21   14   14   28                                            
CONECT   22   16   17   45                                            
CONECT   23   10   46   47                                            
CONECT   24   17   17   48                                            
CONECT   25   20   17   49                                            
CONECT   26   16   16                                                 
CONECT   27   19   11                                                 
CONECT   28   21   15                                                 
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
