COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.231  -0.074  -1.064  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.068  -2.393  -0.109  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.800  -1.183   0.503  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.696   3.310  -0.709  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.462   3.547  -1.181  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.606   2.457  -0.703  1.00  0.00           C  
HETATM    7  C   UNL     1       2.684   0.668  -0.407  1.00  0.00           C  
HETATM    8  C   UNL     1       1.257   1.006  -0.253  1.00  0.00           C  
HETATM    9  C   UNL     1       0.417   0.173   0.501  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.905   0.471   0.652  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.439   1.612   0.056  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.378  -0.022   0.022  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.506  -1.286  -1.670  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.925  -2.445  -1.192  1.00  0.00           C  
HETATM   15  C   UNL     1       0.743   2.151  -0.857  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.699   2.159   0.032  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.445  -3.634   0.403  1.00  0.00           N1+
HETATM   18  O   UNL     1       3.412   1.389  -1.060  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.688  -4.702  -0.130  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.689  -3.588   1.357  1.00  0.00           O1-
HETATM   21  O   UNL     1      -5.115   2.382   0.486  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.621   1.225   2.122  1.00  0.00           O  
HETATM   23  S   UNL     1      -4.025   1.523   0.793  1.00  0.00           S  
HETATM   24  H   UNL     1      -5.685   0.832  -1.438  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.130  -1.141   1.349  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.557   3.937  -0.883  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.159   4.381  -1.797  1.00  0.00           H  
HETATM   28  H   UNL     1       0.822  -0.713   0.967  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.540  -0.179   1.235  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.176  -1.327  -2.516  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.134  -3.391  -1.670  1.00  0.00           H  
HETATM   32  H   UNL     1       1.386   2.795  -1.438  1.00  0.00           H  
HETATM   33  O   UNL     1       3.182  -0.440   0.178  1.00  0.00           O  
HETATM   34  C   UNL     1       4.479  -0.748  -0.087  1.00  0.00           C  
HETATM   35  C   UNL     1       4.793  -1.759  -0.984  1.00  0.00           C  
HETATM   36  N   UNL     1       6.049  -2.062  -1.244  1.00  0.00           N  
HETATM   37  C   UNL     1       7.050  -1.424  -0.671  1.00  0.00           C  
HETATM   38  C   UNL     1       6.817  -0.403   0.234  1.00  0.00           C  
HETATM   39  C   UNL     1       5.510  -0.050   0.532  1.00  0.00           C  
HETATM   40 CL   UNL     1       8.145   0.428   0.981  1.00  0.00          Cl  
HETATM   41  H   UNL     1       3.999  -2.304  -1.473  1.00  0.00           H  
HETATM   42  H   UNL     1       8.066  -1.702  -0.911  1.00  0.00           H  
HETATM   43  H   UNL     1       5.298   0.743   1.235  1.00  0.00           H  
CONECT    1   12   12   13   24                                       
CONECT    2   17    3    3   14                                       
CONECT    3    2    2   12   25                                       
CONECT    4    5    5   16   26                                       
CONECT    5    4    4    6   27                                       
CONECT    6    5   15   15   11                                       
CONECT    7   18   18    8   33                                       
CONECT    8   15    7    9    9                                       
CONECT    9    8    8   10   28                                       
CONECT   10   11   11    9   29                                       
CONECT   11    6   16   10   10                                       
CONECT   12    3   23    1    1                                       
CONECT   13   14   14    1   30                                       
CONECT   14    2   13   13   31                                       
CONECT   15    6    6    8   32                                       
CONECT   16    4   11   23                                            
CONECT   17   19   19   20    2                                       
CONECT   18    7    7                                                 
CONECT   19   17   17                                                 
CONECT   20   17                                                      
CONECT   21   23   23                                                 
CONECT   22   23   23                                                 
CONECT   23   16   21   21   12                                       
CONECT   23   22   22                                                 
CONECT   24    1                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33    7   34                                                 
CONECT   34   33   35   39   39                                       
CONECT   35   34   36   36   41                                       
CONECT   36   35   35   37                                            
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   40                                       
CONECT   39   38   34   34   43                                       
CONECT   40   38                                                      
CONECT   41   35                                                      
CONECT   42   37                                                      
CONECT   43   39                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
