COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.279   0.462   0.159  1.00  0.00           C  
HETATM    2  C   UNL     1       3.045   2.620   0.441  1.00  0.00           C  
HETATM    3  C   UNL     1       1.758   3.093   0.270  1.00  0.00           C  
HETATM    4  C   UNL     1       2.636  -3.483  -0.092  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.896  -1.702   0.532  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.805  -0.923   0.451  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.655  -0.011   1.229  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.767  -1.188  -0.609  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.653  -0.181  -0.484  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.725   1.017  -1.172  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.705   1.941  -1.061  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.564  -0.454   0.323  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.541   0.467   0.439  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.607   1.668  -0.255  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.573   2.601  -0.140  1.00  0.00           N  
HETATM   16  C   UNL     1       0.733   2.171   0.038  1.00  0.00           C  
HETATM   17  C   UNL     1       1.465   4.570   0.332  1.00  0.00           C  
HETATM   18  C   UNL     1       1.594   5.175  -1.067  1.00  0.00           C  
HETATM   19  C   UNL     1       4.180   3.579   0.694  1.00  0.00           C  
HETATM   20  N   UNL     1       3.271   1.317   0.381  1.00  0.00           N  
HETATM   21  N   UNL     1       1.028   0.877  -0.010  1.00  0.00           N  
HETATM   22  C   UNL     1       2.574  -0.981   0.094  1.00  0.00           C  
HETATM   23  C   UNL     1       3.795  -1.535   0.248  1.00  0.00           C  
HETATM   24  C   UNL     1       3.823  -2.908   0.145  1.00  0.00           C  
HETATM   25  S   UNL     1       1.388  -2.248  -0.197  1.00  0.00           S  
HETATM   26 CL   UNL     1       2.371  -5.189  -0.275  1.00  0.00          Cl  
HETATM   27  H   UNL     1      -7.533  -1.493   1.228  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.365  -2.193  -0.481  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.225  -1.103  -1.595  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.579   1.228  -1.798  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.762   2.876  -1.599  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.513  -1.388   0.863  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.691   0.253   1.070  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.769   3.550  -0.185  1.00  0.00           H  
HETATM   35  H   UNL     1       0.451   4.724   0.703  1.00  0.00           H  
HETATM   36  H   UNL     1       2.175   5.053   1.003  1.00  0.00           H  
HETATM   37  H   UNL     1       2.607   5.021  -1.438  1.00  0.00           H  
HETATM   38  H   UNL     1       0.884   4.692  -1.739  1.00  0.00           H  
HETATM   39  H   UNL     1       1.382   6.243  -1.022  1.00  0.00           H  
HETATM   40  H   UNL     1       4.292   3.735   1.767  1.00  0.00           H  
HETATM   41  H   UNL     1       5.103   3.164   0.290  1.00  0.00           H  
HETATM   42  H   UNL     1       3.967   4.531   0.208  1.00  0.00           H  
HETATM   43  H   UNL     1       4.681  -0.947   0.437  1.00  0.00           H  
HETATM   44  H   UNL     1       4.734  -3.479   0.247  1.00  0.00           H  
CONECT    1   22   20   20   21                                       
CONECT    2   20   19    3    3                                       
CONECT    3    2    2   16   17                                       
CONECT    4   26   24   24   25                                       
CONECT    5    6   27                                                 
CONECT    6    7    7    8    5                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   28   29                                       
CONECT    9   10    8   12   12                                       
CONECT   10   11   11    9   30                                       
CONECT   11   10   10   14   31                                       
CONECT   12    9    9   13   32                                       
CONECT   13   14   14   12   33                                       
CONECT   14   11   15   13   13                                       
CONECT   15   16   14   34                                            
CONECT   16   21   21    3   15                                       
CONECT   17   18    3   35   36                                       
CONECT   18   17   37   38   39                                       
CONECT   19    2   40   41   42                                       
CONECT   20    1    1    2                                            
CONECT   21    1   16   16                                            
CONECT   22   23   23   25    1                                       
CONECT   23   24   22   22   43                                       
CONECT   24    4    4   23   44                                       
CONECT   25    4   22                                                 
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
