COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.669   0.616   3.146  1.00  0.00           O  
HETATM    2  O   UNL     1       0.287   2.803   1.997  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.256   0.219  -2.335  1.00  0.00           O  
HETATM    4  C   UNL     1       6.471   1.665  -1.077  1.00  0.00           C  
HETATM    5  C   UNL     1       5.480   0.530  -1.339  1.00  0.00           C  
HETATM    6  C   UNL     1       5.108   0.509  -2.823  1.00  0.00           C  
HETATM    7  C   UNL     1       6.121  -0.806  -0.956  1.00  0.00           C  
HETATM    8  C   UNL     1       4.238   0.747  -0.513  1.00  0.00           C  
HETATM    9  C   UNL     1       3.486   1.893  -0.684  1.00  0.00           C  
HETATM   10  C   UNL     1       2.347   2.093   0.074  1.00  0.00           C  
HETATM   11  C   UNL     1       1.961   1.145   1.004  1.00  0.00           C  
HETATM   12  C   UNL     1       2.714  -0.002   1.175  1.00  0.00           C  
HETATM   13  C   UNL     1       3.849  -0.204   0.413  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.755  -0.614   0.826  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.215  -1.534   1.717  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.214  -2.878   1.408  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.749  -3.324   0.207  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.288  -2.428  -0.689  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.304  -1.062  -0.387  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.879  -0.098  -1.341  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.216   0.484  -1.088  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.822   1.328  -2.026  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.069   1.849  -1.750  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.156   0.764   0.287  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.912   0.200   0.093  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.758   0.739   1.136  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.689   1.560  -0.621  1.00  0.00           N1+
HETATM   28  O   UNL     1      -6.968   2.118  -0.379  1.00  0.00           O1-
HETATM   29  S   UNL     1       0.511   1.400   1.971  1.00  0.00           S  
HETATM   30 CL   UNL     1      -0.738  -5.019  -0.166  1.00  0.00          Cl  
HETATM   31  H   UNL     1       7.369   1.508  -1.675  1.00  0.00           H  
HETATM   32  H   UNL     1       6.015   2.616  -1.351  1.00  0.00           H  
HETATM   33  H   UNL     1       6.736   1.680  -0.020  1.00  0.00           H  
HETATM   34  H   UNL     1       6.006   0.352  -3.421  1.00  0.00           H  
HETATM   35  H   UNL     1       4.401  -0.300  -3.009  1.00  0.00           H  
HETATM   36  H   UNL     1       4.651   1.461  -3.096  1.00  0.00           H  
HETATM   37  H   UNL     1       6.386  -0.791   0.102  1.00  0.00           H  
HETATM   38  H   UNL     1       5.414  -1.615  -1.142  1.00  0.00           H  
HETATM   39  H   UNL     1       7.019  -0.962  -1.553  1.00  0.00           H  
HETATM   40  H   UNL     1       3.787   2.634  -1.410  1.00  0.00           H  
HETATM   41  H   UNL     1       1.759   2.989  -0.060  1.00  0.00           H  
HETATM   42  H   UNL     1       2.412  -0.742   1.901  1.00  0.00           H  
HETATM   43  H   UNL     1       4.437  -1.100   0.546  1.00  0.00           H  
HETATM   44  H   UNL     1       0.203  -1.195   2.654  1.00  0.00           H  
HETATM   45  H   UNL     1       0.208  -3.588   2.104  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.704  -2.780  -1.622  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.320   1.569  -2.951  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.545   2.501  -2.467  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.702   0.551   1.195  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.482  -0.450   0.840  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.502   1.298   0.863  1.00  0.00           H  
CONECT    1   29   29                                                 
CONECT    2   29   29                                                 
CONECT    3   20   20                                                 
CONECT    4    5   31   32   33                                       
CONECT    5    6    4    8    7                                       
CONECT    6    5   34   35   36                                       
CONECT    7    5   37   38   39                                       
CONECT    8   13   13    9    5                                       
CONECT    9   10   10    8   40                                       
CONECT   10   11    9    9   41                                       
CONECT   11   29   12   12   10                                       
CONECT   12   11   11   13   42                                       
CONECT   13   12    8    8   43                                       
CONECT   14   19   19   15   26                                       
CONECT   15   16   16   14   44                                       
CONECT   16   17   15   15   45                                       
CONECT   17   30   18   18   16                                       
CONECT   18   17   17   19   46                                       
CONECT   19   18   20   14   14                                       
CONECT   20    3    3   21   19                                       
CONECT   21   22   20   25   25                                       
CONECT   22   23   23   21   47                                       
CONECT   23   22   22   27   48                                       
CONECT   24   27   27   25   49                                       
CONECT   25   21   21   24   50                                       
CONECT   26   14   29   51                                            
CONECT   27   23   28   24   24                                       
CONECT   28   27                                                      
CONECT   29   26   11    2    2                                       
CONECT   29    1    1                                                 
CONECT   30   17                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
