COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.740  -2.046  -0.245  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.460  -2.425  -0.389  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.191  -3.417  -1.025  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.358  -1.613   0.242  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.333  -0.173  -0.329  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.963  -2.142  -0.186  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.067  -0.892  -0.060  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.945   0.284  -0.137  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.547   1.569  -0.047  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.348   2.467  -0.218  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.135   1.886   0.259  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.182   0.868   0.297  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.751   3.205   0.504  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.433   3.498   0.789  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.489   2.489   0.832  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.860   1.173   0.585  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.901   0.157   0.624  1.00  0.00           N  
HETATM   18  C   UNL     1       0.425   0.450   0.383  1.00  0.00           C  
HETATM   19  S   UNL     1       1.712  -0.665   0.531  1.00  0.00           S  
HETATM   20  N   UNL     1       0.871   1.614   0.004  1.00  0.00           N  
HETATM   21  C   UNL     1       2.161   1.730  -0.184  1.00  0.00           C  
HETATM   22  C   UNL     1       2.863   0.580   0.049  1.00  0.00           C  
HETATM   23  C   UNL     1       4.310   0.412  -0.079  1.00  0.00           C  
HETATM   24  O   UNL     1       5.003   1.352  -0.424  1.00  0.00           O  
HETATM   25  N   UNL     1       4.876  -0.782   0.183  1.00  0.00           N  
HETATM   26  C   UNL     1       6.268  -0.914   0.173  1.00  0.00           C  
HETATM   27  C   UNL     1       7.005  -0.433  -0.903  1.00  0.00           C  
HETATM   28 CL   UNL     1       6.199   0.332  -2.237  1.00  0.00          Cl  
HETATM   29  C   UNL     1       8.381  -0.565  -0.910  1.00  0.00           C  
HETATM   30  C   UNL     1       9.024  -1.174   0.153  1.00  0.00           C  
HETATM   31  C   UNL     1       8.293  -1.653   1.224  1.00  0.00           C  
HETATM   32  C   UNL     1       6.918  -1.519   1.240  1.00  0.00           C  
HETATM   33  C   UNL     1       6.123  -2.036   2.411  1.00  0.00           C  
HETATM   34  H   UNL     1     -10.411  -2.599  -0.668  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.457  -1.602   1.327  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.587  -0.181  -1.389  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.024   0.465   0.222  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.626  -2.928   0.489  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.986  -2.502  -1.214  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.546  -0.904   0.897  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.345  -0.870  -0.877  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.473  -0.154   0.104  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.485   3.997   0.472  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.138   4.520   0.979  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.459   2.725   1.055  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.168  -0.755   0.821  1.00  0.00           H  
HETATM   47  H   UNL     1       2.629   2.651  -0.498  1.00  0.00           H  
HETATM   48  H   UNL     1       4.317  -1.551   0.379  1.00  0.00           H  
HETATM   49  H   UNL     1       8.955  -0.192  -1.746  1.00  0.00           H  
HETATM   50  H   UNL     1      10.099  -1.276   0.145  1.00  0.00           H  
HETATM   51  H   UNL     1       8.798  -2.129   2.052  1.00  0.00           H  
HETATM   52  H   UNL     1       5.842  -3.073   2.231  1.00  0.00           H  
HETATM   53  H   UNL     1       6.729  -1.976   3.316  1.00  0.00           H  
HETATM   54  H   UNL     1       5.225  -1.432   2.536  1.00  0.00           H  
CONECT    1    2   34                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    6    5   35                                       
CONECT    5    4    8   36   37                                       
CONECT    6    7    4   38   39                                       
CONECT    7    6    8   40   41                                       
CONECT    8    7    5    9                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   12   13                                       
CONECT   12   11   11   16   42                                       
CONECT   13   11   14   14   43                                       
CONECT   14   13   13   15   44                                       
CONECT   15   16   16   14   45                                       
CONECT   16   12   17   15   15                                       
CONECT   17   16   18   46                                            
CONECT   18   17   20   20   19                                       
CONECT   19   18   22                                                 
CONECT   20   18   18   21                                            
CONECT   21   20   22   22   47                                       
CONECT   22   21   21   19   23                                       
CONECT   23   22   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   48                                            
CONECT   26   25   32   32   27                                       
CONECT   27   26   28   29   29                                       
CONECT   28   27                                                      
CONECT   29   27   27   30   49                                       
CONECT   30   31   31   29   50                                       
CONECT   31   32   30   30   51                                       
CONECT   32   33   26   26   31                                       
CONECT   33   32   52   53   54                                       
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   33                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
