COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.894   0.691   0.205  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.055   1.708   0.604  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.708   1.569   0.497  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.162   0.417  -0.010  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.002  -0.638  -0.426  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.348  -0.507  -0.322  1.00  0.00           C  
HETATM    7  C   UNL     1       0.335   2.404   0.813  1.00  0.00           C  
HETATM    8  C   UNL     1       1.479   1.748   0.494  1.00  0.00           C  
HETATM    9  N   UNL     1       1.157   0.550  -0.007  1.00  0.00           N  
HETATM   10  S   UNL     1       7.441  -1.243  -0.448  1.00  0.00           S  
HETATM   11  C   UNL     1       6.055  -0.206  -0.119  1.00  0.00           C  
HETATM   12  C   UNL     1       4.868  -0.761   0.323  1.00  0.00           C  
HETATM   13  C   UNL     1       3.781   0.050   0.587  1.00  0.00           C  
HETATM   14  C   UNL     1       3.878   1.423   0.397  1.00  0.00           C  
HETATM   15  C   UNL     1       5.070   1.976  -0.052  1.00  0.00           C  
HETATM   16  C   UNL     1       6.155   1.160  -0.309  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.355   0.848   0.324  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.249  -0.270  -0.037  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.790  -0.351  -1.324  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.620  -1.403  -1.655  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.928  -2.369  -0.714  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.402  -2.293   0.564  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.565  -1.251   0.909  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.824   1.898   0.719  1.00  0.00           O  
HETATM   25  O   UNL     1       8.261  -0.516  -1.353  1.00  0.00           O  
HETATM   26  N   UNL     1       2.779   2.245   0.657  1.00  0.00           N  
HETATM   27 CL   UNL     1      -5.406   0.861  -2.506  1.00  0.00          Cl  
HETATM   28 CL   UNL     1      -4.906  -1.157   2.512  1.00  0.00          Cl  
HETATM   29  N   UNL     1       8.314  -1.362   0.954  1.00  0.00           N  
HETATM   30  O   UNL     1       6.907  -2.539  -0.681  1.00  0.00           O  
HETATM   31  H   UNL     1      -2.470   2.621   1.006  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.575  -1.547  -0.825  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.999  -1.308  -0.637  1.00  0.00           H  
HETATM   34  H   UNL     1       0.259   3.395   1.235  1.00  0.00           H  
HETATM   35  H   UNL     1       4.793  -1.828   0.471  1.00  0.00           H  
HETATM   36  H   UNL     1       2.855  -0.384   0.936  1.00  0.00           H  
HETATM   37  H   UNL     1       5.149   3.043  -0.201  1.00  0.00           H  
HETATM   38  H   UNL     1       7.082   1.590  -0.658  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.035  -1.469  -2.650  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.581  -3.187  -0.978  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.646  -3.051   1.293  1.00  0.00           H  
HETATM   42  H   UNL     1       2.915   3.159   0.950  1.00  0.00           H  
HETATM   43  H   UNL     1       9.237  -1.063   0.978  1.00  0.00           H  
HETATM   44  H   UNL     1       7.901  -1.726   1.753  1.00  0.00           H  
CONECT    1    2    2    6   17                                       
CONECT    2    1    1    3   31                                       
CONECT    3    2    4    7                                            
CONECT    4    3    5    9    9                                       
CONECT    5    4    6    6   32                                       
CONECT    6    1    5    5   33                                       
CONECT    7    3    8    8   34                                       
CONECT    8    7    7    9   26                                       
CONECT    9    4    4    8                                            
CONECT   10   11   25   25   29                                       
CONECT   10   30   30                                                 
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13   35                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13   15   15   26                                       
CONECT   15   14   14   16   37                                       
CONECT   16   11   11   15   38                                       
CONECT   17    1   18   24   24                                       
CONECT   18   17   19   23   23                                       
CONECT   19   18   20   20   27                                       
CONECT   20   19   19   21   39                                       
CONECT   21   20   22   22   40                                       
CONECT   22   21   21   23   41                                       
CONECT   23   18   18   22   28                                       
CONECT   24   17   17                                                 
CONECT   25   10   10                                                 
CONECT   26    8   14   42                                            
CONECT   27   19                                                      
CONECT   28   23                                                      
CONECT   29   10   43   44                                            
CONECT   30   10   10                                                 
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   26                                                      
CONECT   43   29                                                      
CONECT   44   29                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
