COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.048  -4.422  -1.913  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.956  -4.474  -2.472  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.757  -4.439  -3.845  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.837  -4.336  -4.800  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.310  -5.725  -5.186  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.241  -6.435  -5.799  1.00  0.00           O  
HETATM    7  C   UNL     1       0.351  -4.588  -1.730  1.00  0.00           C  
HETATM    8  N   UNL     1       0.097  -4.625  -0.292  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.089  -5.869   0.334  1.00  0.00           C  
HETATM   10  O   UNL     1       0.013  -6.952  -0.246  1.00  0.00           O  
HETATM   11  C   UNL     1       0.055  -3.389   0.436  1.00  0.00           C  
HETATM   12  C   UNL     1       0.040  -2.144  -0.213  1.00  0.00           C  
HETATM   13  C   UNL     1       0.017  -0.954   0.519  1.00  0.00           C  
HETATM   14  C   UNL     1       0.020  -0.988   1.909  1.00  0.00           C  
HETATM   15  C   UNL     1       0.056  -3.412   1.841  1.00  0.00           C  
HETATM   16  C   UNL     1       0.047  -2.213   2.569  1.00  0.00           C  
HETATM   17  C   UNL     1       0.159  -4.723   2.565  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.571  -5.795   1.779  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.397  -7.087   2.390  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.274  -7.590   3.342  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.269  -7.001   3.756  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.940  -8.927   3.895  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.726  -9.519   4.832  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.132 -10.705   5.103  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.030 -10.812   4.349  1.00  0.00           C  
HETATM   26  C   UNL     1       0.133  -9.686   3.553  1.00  0.00           C  
HETATM   27  C   UNL     1       0.695 -11.989   4.517  1.00  0.00           C  
HETATM   28  S   UNL     1      -1.404 -12.014   6.090  1.00  0.00           S  
HETATM   29  C   UNL     1       0.045 -12.772   5.468  1.00  0.00           C  
HETATM   30 CL   UNL     1       0.506 -14.317   6.051  1.00  0.00          Cl  
HETATM   31  H   UNL     1       0.195  -4.489  -4.196  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.471  -3.785  -5.672  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.651  -3.772  -4.335  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.128  -5.655  -5.910  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.653  -6.291  -4.313  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.588  -5.772  -6.077  1.00  0.00           H  
HETATM   37  H   UNL     1       0.865  -5.507  -2.028  1.00  0.00           H  
HETATM   38  H   UNL     1       0.985  -3.727  -1.960  1.00  0.00           H  
HETATM   39  H   UNL     1       0.040  -2.075  -1.298  1.00  0.00           H  
HETATM   40  H   UNL     1       0.001   0.000   0.000  1.00  0.00           H  
HETATM   41  H   UNL     1       0.010  -0.063   2.477  1.00  0.00           H  
HETATM   42  H   UNL     1       0.067  -2.230   3.656  1.00  0.00           H  
HETATM   43  H   UNL     1       1.221  -4.974   2.684  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.274  -4.647   3.570  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.650  -5.597   1.757  1.00  0.00           H  
HETATM   46  H   UNL     1       0.441  -7.610   2.145  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.576  -9.158   5.244  1.00  0.00           H  
HETATM   48  H   UNL     1       0.913  -9.460   2.840  1.00  0.00           H  
HETATM   49  H   UNL     1       1.608 -12.273   4.011  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    7    3                                       
CONECT    3    2    4   31                                            
CONECT    4    3    5   32   33                                       
CONECT    5    4    6   34   35                                       
CONECT    6    5   36                                                 
CONECT    7    2    8   37   38                                       
CONECT    8    7   11    9                                            
CONECT    9    8   18   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    8   15   15   12                                       
CONECT   12   11   13   13   39                                       
CONECT   13   12   12   14   40                                       
CONECT   14   13   16   16   41                                       
CONECT   15   11   11   16   17                                       
CONECT   16   14   14   15   42                                       
CONECT   17   15   18   43   44                                       
CONECT   18    9   17   19   45                                       
CONECT   19   18   20   46                                            
CONECT   20   19   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   26   26   23                                       
CONECT   23   22   24   47                                            
CONECT   24   23   25   25   28                                       
CONECT   25   24   24   27   26                                       
CONECT   26   22   22   25   48                                       
CONECT   27   25   29   29   49                                       
CONECT   28   24   29                                                 
CONECT   29   27   27   28   30                                       
CONECT   30   29                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
