COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.302   0.638  -0.644  1.00  0.00           C  
HETATM    2  N   UNL     1       4.258  -0.420   0.458  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.383  -1.939   1.084  1.00  0.00           O  
HETATM    4  S   UNL     1       1.168   0.084   0.001  1.00  0.00           S  
HETATM    5  C   UNL     1      -3.279   1.317  -1.297  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.622   1.074  -0.782  1.00  0.00           N  
HETATM    7  O   UNL     1       4.098  -2.586  -0.018  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.974   0.880  -1.187  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.117   0.460   1.292  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.689  -0.233  -0.408  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.719  -0.906   0.279  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.022  -0.475   0.141  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.322  -0.787  -0.293  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.075  -2.139  -0.415  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.194  -3.131  -0.676  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.108  -3.230   0.542  1.00  0.00           C  
HETATM   17  C   UNL     1       2.092  -1.411  -0.048  1.00  0.00           C  
HETATM   18  C   UNL     1       1.252  -2.462  -0.278  1.00  0.00           C  
HETATM   19  C   UNL     1       3.540  -1.513   0.130  1.00  0.00           C  
HETATM   20  C   UNL     1       3.607   0.790   0.721  1.00  0.00           C  
HETATM   21  C   UNL     1       3.203   1.097   2.014  1.00  0.00           C  
HETATM   22  C   UNL     1       2.561   2.293   2.270  1.00  0.00           C  
HETATM   23  C   UNL     1       2.321   3.185   1.241  1.00  0.00           C  
HETATM   24  C   UNL     1       2.722   2.884  -0.047  1.00  0.00           C  
HETATM   25  C   UNL     1       3.370   1.691  -0.310  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.472   0.990   0.261  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.865   1.554   0.145  1.00  0.00           C  
HETATM   28  C   UNL     1       5.718  -0.500   0.540  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.506   2.189  -1.893  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.927   1.438  -1.628  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.181   1.400  -1.703  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.821  -1.000   0.642  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.775  -2.801  -1.537  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.766  -4.111  -0.884  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.625  -3.843   1.303  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.046  -3.701   0.247  1.00  0.00           H  
HETATM   37  H   UNL     1       1.607  -3.480  -0.347  1.00  0.00           H  
HETATM   38  H   UNL     1       3.389   0.400   2.818  1.00  0.00           H  
HETATM   39  H   UNL     1       2.247   2.531   3.275  1.00  0.00           H  
HETATM   40  H   UNL     1       1.819   4.119   1.444  1.00  0.00           H  
HETATM   41  H   UNL     1       2.533   3.583  -0.849  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.863   2.596   0.466  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.196   1.494  -0.892  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.543   0.981   0.776  1.00  0.00           H  
HETATM   45  H   UNL     1       6.153  -0.186  -0.409  1.00  0.00           H  
HETATM   46  H   UNL     1       6.074   0.154   1.336  1.00  0.00           H  
HETATM   47  H   UNL     1       6.015  -1.527   0.753  1.00  0.00           H  
HETATM   48 CL   UNL     1       3.873   1.313  -1.928  1.00  0.00          Cl  
CONECT    1   12    5    5    6                                       
CONECT    2   19   20   28                                            
CONECT    3   11   16                                                 
CONECT    4   17   13                                                 
CONECT    5    1    1    8   29                                       
CONECT    6    1   30   26                                            
CONECT    7   19   19                                                 
CONECT    8    5   10   10   31                                       
CONECT    9   26   26                                                 
CONECT   10    8    8   13   11                                       
CONECT   11   10    3   12   12                                       
CONECT   12    1   11   11   32                                       
CONECT   13    4   10   14   14                                       
CONECT   14   13   13   15   18                                       
CONECT   15   14   33   34   16                                       
CONECT   16    3   15   35   36                                       
CONECT   17    4   18   18   19                                       
CONECT   18   17   17   14   37                                       
CONECT   19    2    7    7   17                                       
CONECT   20    2   21   25   25                                       
CONECT   21   20   38   22   22                                       
CONECT   22   21   21   39   23                                       
CONECT   23   22   40   24   24                                       
CONECT   24   23   23   25   41                                       
CONECT   25   24   20   20   48                                       
CONECT   26    9    9    6   27                                       
CONECT   27   26   42   43   44                                       
CONECT   28    2   45   46   47                                       
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32   12                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
