COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.908  -0.301   0.361  1.00  0.00           C  
HETATM    2  C   UNL     1       4.116   0.268   0.715  1.00  0.00           C  
HETATM    3  C   UNL     1       2.857  -1.622  -0.043  1.00  0.00           C  
HETATM    4  C   UNL     1       1.643   0.517   0.421  1.00  0.00           C  
HETATM    5  C   UNL     1       5.276  -0.484   0.664  1.00  0.00           C  
HETATM    6  C   UNL     1       5.225  -1.807   0.260  1.00  0.00           C  
HETATM    7  C   UNL     1       4.016  -2.375  -0.093  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.852  -2.640  -0.374  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.368  -1.256  -0.771  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.207   1.625  -0.672  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.903   0.981  -1.688  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.721   1.643   0.618  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.923   1.021   0.890  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.618   0.378  -0.125  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.483   1.038   2.289  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.105   0.359  -1.415  1.00  0.00           C  
HETATM   17  C   UNL     1       6.488  -2.627   0.205  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.010   1.097   2.228  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.525   0.057   1.270  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.406  -3.688  -1.342  1.00  0.00           C  
HETATM   21 CL   UNL     1       6.795   0.230   1.108  1.00  0.00          Cl  
HETATM   22  N   UNL     1      -4.838  -0.253   0.155  1.00  0.00           N  
HETATM   23  N   UNL     1       0.014   2.250  -0.948  1.00  0.00           N  
HETATM   24  O   UNL     1       2.401   2.294  -1.419  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.572  -0.508   1.505  1.00  0.00           O  
HETATM   26  O   UNL     1       1.006   0.392  -2.167  1.00  0.00           O  
HETATM   27  S   UNL     1       1.378   1.339  -1.174  1.00  0.00           S  
HETATM   28  H   UNL     1       4.156   1.301   1.030  1.00  0.00           H  
HETATM   29  H   UNL     1       1.912  -2.066  -0.320  1.00  0.00           H  
HETATM   30  H   UNL     1       0.798  -0.136   0.639  1.00  0.00           H  
HETATM   31  H   UNL     1       1.734   1.268   1.206  1.00  0.00           H  
HETATM   32  H   UNL     1       3.976  -3.407  -0.408  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.763  -2.648  -0.415  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.179  -2.873   0.639  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.041  -1.023  -1.785  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.457  -1.248  -0.731  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.503   0.967  -2.691  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.180   2.143   1.408  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.176   0.134   2.814  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.107   1.912   2.820  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.645  -0.141  -2.204  1.00  0.00           H  
HETATM   42  H   UNL     1       6.645  -3.117   1.166  1.00  0.00           H  
HETATM   43  H   UNL     1       6.397  -3.381  -0.577  1.00  0.00           H  
HETATM   44  H   UNL     1       7.334  -1.977  -0.014  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.419   0.910   3.220  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.320   2.086   1.890  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.495  -3.681  -1.301  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.078  -3.455  -2.355  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.038  -4.674  -1.059  1.00  0.00           H  
HETATM   50  H   UNL     1       0.061   3.217  -1.006  1.00  0.00           H  
CONECT    1    4    3    3    2                                       
CONECT    2    1    5    5   28                                       
CONECT    3    1    1    7   29                                       
CONECT    4   27    1   30   31                                       
CONECT    5    2    2    6   21                                       
CONECT    6    7    7    5   17                                       
CONECT    7    3    6    6   32                                       
CONECT    8    9   20   33   34                                       
CONECT    9   22    8   35   36                                       
CONECT   10   23   12   12   11                                       
CONECT   11   10   16   16   37                                       
CONECT   12   10   10   13   38                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13   16   22                                       
CONECT   15   13   18   39   40                                       
CONECT   16   11   11   14   41                                       
CONECT   17    6   42   43   44                                       
CONECT   18   15   19   45   46                                       
CONECT   19   18   22   25   25                                       
CONECT   20    8   47   48   49                                       
CONECT   21    5                                                      
CONECT   22   14   19    9                                            
CONECT   23   27   10   50                                            
CONECT   24   27   27                                                 
CONECT   25   19   19                                                 
CONECT   26   27   27                                                 
CONECT   27   26   26    4   24                                       
CONECT   27   24   23                                                 
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
