COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.688  -0.870   6.846  1.00  0.00           N  
HETATM    2  C   UNL     1       1.837   0.055   7.184  1.00  0.00           C  
HETATM    3  N   UNL     1       2.172   0.979   8.150  1.00  0.00           N  
HETATM    4  C   UNL     1       0.510   0.116   6.530  1.00  0.00           C  
HETATM    5  C   UNL     1       0.171  -0.813   5.547  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.069  -0.755   4.946  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.971   0.229   5.307  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.637   1.158   6.276  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.402   1.107   6.889  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.441  -1.764   3.889  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.043  -1.260   2.573  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.932  -0.535   1.891  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.986  -0.261   2.426  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.685  -0.034   0.495  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.262  -0.214   0.169  1.00  0.00           N  
HETATM   16  C   UNL     1       0.367  -1.483   0.572  1.00  0.00           C  
HETATM   17  C   UNL     1       0.292  -1.590   2.096  1.00  0.00           C  
HETATM   18  S   UNL     1       0.596   0.960  -0.619  1.00  0.00           S  
HETATM   19  O   UNL     1      -0.101   2.175  -0.380  1.00  0.00           O  
HETATM   20  O   UNL     1       1.960   0.720  -0.304  1.00  0.00           O  
HETATM   21  C   UNL     1       0.443   0.654  -2.348  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.491   1.111  -3.192  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.429   0.735  -4.597  1.00  0.00           C  
HETATM   24  C   UNL     1       0.647  -0.114  -4.931  1.00  0.00           C  
HETATM   25  S   UNL     1       1.491  -0.345  -3.388  1.00  0.00           S  
HETATM   26  C   UNL     1       0.849  -0.570  -6.216  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.022  -0.189  -7.218  1.00  0.00           C  
HETATM   28 CL   UNL     1       0.214  -0.752  -8.844  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -1.089   0.646  -6.915  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.298   1.101  -5.651  1.00  0.00           C  
HETATM   31  H   UNL     1       2.452  -1.521   6.166  1.00  0.00           H  
HETATM   32  H   UNL     1       3.041   0.939   8.578  1.00  0.00           H  
HETATM   33  H   UNL     1       1.540   1.671   8.399  1.00  0.00           H  
HETATM   34  H   UNL     1       0.873  -1.583   5.265  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.939   0.273   4.830  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.345   1.925   6.554  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.143   1.832   7.647  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.928  -2.704   4.089  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.518  -1.927   3.906  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.942   1.022   0.433  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.295  -0.603  -0.206  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.165  -2.319   0.118  1.00  0.00           H  
HETATM   43  H   UNL     1       1.409  -1.494   0.253  1.00  0.00           H  
HETATM   44  H   UNL     1       1.011  -0.902   2.540  1.00  0.00           H  
HETATM   45  H   UNL     1       0.539  -2.608   2.397  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.280   1.756  -2.835  1.00  0.00           H  
HETATM   47  H   UNL     1       1.684  -1.219  -6.438  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.768   0.940  -7.702  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.138   1.750  -5.450  1.00  0.00           H  
CONECT    1    2    2   31                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   32   33                                            
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6   34                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9    9   36                                       
CONECT    9    4    8    8   37                                       
CONECT   10    6   11   38   39                                       
CONECT   11   10   12   17                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   40   41                                       
CONECT   15   14   16   18                                            
CONECT   16   15   17   42   43                                       
CONECT   17   11   16   44   45                                       
CONECT   18   15   19   19   20                                       
CONECT   18   20   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22   22   25                                       
CONECT   22   21   21   23   46                                       
CONECT   23   22   24   24   30                                       
CONECT   24   23   23   25   26                                       
CONECT   25   21   24                                                 
CONECT   26   24   27   27   47                                       
CONECT   27   26   26   28   29                                       
CONECT   28   27                                                      
CONECT   29   27   30   30   48                                       
CONECT   30   23   29   29   49                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   22                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
