COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       4.792   1.761   0.835  1.00  0.00          Cl  
HETATM    2  O   UNL     1      -2.310   2.680   1.538  1.00  0.00           O  
HETATM    3  S   UNL     1      -2.192   2.677   0.121  1.00  0.00           S  
HETATM    4  C   UNL     1      -0.617   1.979  -0.245  1.00  0.00           C  
HETATM    5  C   UNL     1       0.003   2.267  -1.447  1.00  0.00           C  
HETATM    6  C   UNL     1       1.238   1.720  -1.738  1.00  0.00           C  
HETATM    7  C   UNL     1       0.000   1.147   0.671  1.00  0.00           C  
HETATM    8  C   UNL     1       1.235   0.599   0.387  1.00  0.00           C  
HETATM    9  C   UNL     1       1.857   0.881  -0.822  1.00  0.00           C  
HETATM   10  O   UNL     1       3.071   0.341  -1.105  1.00  0.00           O  
HETATM   11  C   UNL     1       3.639  -0.475  -0.178  1.00  0.00           C  
HETATM   12  C   UNL     1       3.390  -1.839  -0.208  1.00  0.00           C  
HETATM   13  N   UNL     1       2.507  -2.408  -1.250  1.00  0.00           N1+
HETATM   14  O   UNL     1       2.289  -3.606  -1.276  1.00  0.00           O1-
HETATM   15  O   UNL     1       1.997  -1.678  -2.082  1.00  0.00           O  
HETATM   16  C   UNL     1       3.969  -2.666   0.735  1.00  0.00           C  
HETATM   17  C   UNL     1       4.795  -2.136   1.709  1.00  0.00           C  
HETATM   18  C   UNL     1       5.045  -0.776   1.742  1.00  0.00           C  
HETATM   19  C   UNL     1       4.473   0.055   0.798  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.339   1.623  -0.441  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.462   0.290   0.152  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.796  -0.333  -0.266  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.919  -1.670   0.329  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.277  -2.203   0.150  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.228  -1.515   1.132  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.916  -2.588  -0.227  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.802  -3.823   0.670  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.304   3.852  -0.670  1.00  0.00           O  
HETATM   29  H   UNL     1      -0.479   2.920  -2.160  1.00  0.00           H  
HETATM   30  H   UNL     1       1.722   1.945  -2.677  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.484   0.927   1.611  1.00  0.00           H  
HETATM   32  H   UNL     1       1.717  -0.050   1.103  1.00  0.00           H  
HETATM   33  H   UNL     1       3.776  -3.729   0.712  1.00  0.00           H  
HETATM   34  H   UNL     1       5.246  -2.785   2.445  1.00  0.00           H  
HETATM   35  H   UNL     1       5.690  -0.365   2.503  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.929   1.889  -1.164  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.643  -0.340  -0.196  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.423   0.370   1.238  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.615   0.296   0.082  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.835  -0.413  -1.352  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.609  -2.014  -0.871  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.274  -3.276   0.339  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.213  -1.978   1.068  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.842  -1.621   2.146  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.306  -0.457   0.881  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.219  -2.894  -1.228  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.951  -2.085  -0.276  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.486  -3.519   1.668  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.771  -4.318   0.732  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.069  -4.511   0.250  1.00  0.00           H  
CONECT    1   19                                                      
CONECT    2    3    3                                                 
CONECT    3    2    2    4   20                                       
CONECT    3   28   28                                                 
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5    9    9   30                                       
CONECT    7    4    8    8   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9    6    6    8   10                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   19                                       
CONECT   12   11   11   13   16                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13                                                      
CONECT   15   13   13                                                 
CONECT   16   12   17   17   33                                       
CONECT   17   16   16   18   34                                       
CONECT   18   17   19   19   35                                       
CONECT   19    1   11   18   18                                       
CONECT   20    3   21   36                                            
CONECT   21   20   22   37   38                                       
CONECT   22   21   23   39   40                                       
CONECT   23   22   24   26                                            
CONECT   24   23   25   41   42                                       
CONECT   25   24   43   44   45                                       
CONECT   26   23   27   46   47                                       
CONECT   27   26   48   49   50                                       
CONECT   28    3    3                                                 
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
