COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.242   0.227   0.433  1.00  0.00           C  
HETATM    2  C   UNL     1       6.615  -0.116   0.298  1.00  0.00           C  
HETATM    3  C   UNL     1       4.037  -0.894  -0.373  1.00  0.00           C  
HETATM    4  C   UNL     1       3.153   2.119   1.738  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.488   3.672  -2.675  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.201  -0.473   0.326  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.766  -1.283  -0.579  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.374  -2.447  -0.686  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.971  -3.488  -1.698  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.378  -2.629   0.177  1.00  0.00           C  
HETATM   11  S   UNL     1      -4.505  -1.183   1.175  1.00  0.00           S  
HETATM   12  C   UNL     1      -5.245  -3.858   0.282  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.658  -4.778   1.205  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.637   0.897   0.601  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.173   0.829   0.616  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.463   1.742   1.307  1.00  0.00           C  
HETATM   17  C   UNL     1       1.001   1.674   1.322  1.00  0.00           C  
HETATM   18  N   UNL     1       1.774   0.732   0.680  1.00  0.00           N  
HETATM   19  C   UNL     1       3.087   1.002   0.934  1.00  0.00           C  
HETATM   20  C   UNL     1       5.541   0.611   0.769  1.00  0.00           C  
HETATM   21  C   UNL     1       6.406  -1.224  -0.506  1.00  0.00           C  
HETATM   22  C   UNL     1       5.119  -1.612  -0.838  1.00  0.00           C  
HETATM   23 CL   UNL     1       7.762  -2.133  -1.095  1.00  0.00          Cl  
HETATM   24  C   UNL     1       1.847   2.540   1.985  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.037   2.623   1.919  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.091   1.864  -0.494  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.610   1.388  -1.798  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.061   2.268  -2.883  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.960   4.215  -1.324  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.519   3.256  -0.215  1.00  0.00           C  
HETATM   31  H   UNL     1       7.621   0.180   0.557  1.00  0.00           H  
HETATM   32  H   UNL     1       3.034  -1.198  -0.632  1.00  0.00           H  
HETATM   33  H   UNL     1       4.053   2.583   2.112  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.399   3.626  -2.690  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.836   4.329  -3.473  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.216  -4.144  -1.264  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.843  -4.076  -1.983  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.560  -2.997  -2.581  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.237  -3.573   0.634  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.328  -4.328  -0.697  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.164  -5.593   1.323  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.994   1.250   1.568  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.716   0.126   0.128  1.00  0.00           H  
HETATM   44  H   UNL     1       1.441  -0.001   0.139  1.00  0.00           H  
HETATM   45  H   UNL     1       5.706   1.475   1.396  1.00  0.00           H  
HETATM   46  H   UNL     1       4.962  -2.480  -1.462  1.00  0.00           H  
HETATM   47  H   UNL     1       1.552   3.389   2.583  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.180   1.915  -0.505  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.606   1.296  -1.801  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.150   2.317  -2.883  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.716   1.873  -3.839  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.519   5.197  -1.152  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.046   4.299  -1.324  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.888   3.615   0.746  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.430   3.204  -0.190  1.00  0.00           H  
CONECT    1    3   19   20   20                                       
CONECT    2   21   21   20   31                                       
CONECT    3   22   22    1   32                                       
CONECT    4   19   19   24   33                                       
CONECT    5   28   29   34   35                                       
CONECT    6    7    7   14   11                                       
CONECT    7    8    6    6                                            
CONECT    8    9    7   10   10                                       
CONECT    9    8   36   37   38                                       
CONECT   10    8    8   11   12                                       
CONECT   11    6   10                                                 
CONECT   12   10   13   39   40                                       
CONECT   13   12   41                                                 
CONECT   14    6   15   26   42                                       
CONECT   15   16   14   43                                            
CONECT   16   25   25   17   15                                       
CONECT   17   18   16   24   24                                       
CONECT   18   17   19   44                                            
CONECT   19   18    1    4    4                                       
CONECT   20    1    1    2   45                                       
CONECT   21   22   23    2    2                                       
CONECT   22    3    3   21   46                                       
CONECT   23   21                                                      
CONECT   24   17   17    4   47                                       
CONECT   25   16   16                                                 
CONECT   26   14   27   30   48                                       
CONECT   27   26   28   49                                            
CONECT   28   27    5   50   51                                       
CONECT   29   30    5   52   53                                       
CONECT   30   26   29   54   55                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
