COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.996  -0.134   1.175  1.00  0.00           O  
HETATM    2  C   UNL     1       4.704  -0.090  -0.005  1.00  0.00           C  
HETATM    3  N   UNL     1       5.674  -0.118  -0.940  1.00  0.00           N  
HETATM    4  C   UNL     1       7.027  -0.098  -0.552  1.00  0.00           C  
HETATM    5  C   UNL     1       7.475  -0.672   0.629  1.00  0.00           C  
HETATM    6  C   UNL     1       8.787  -0.564   0.844  1.00  0.00           C  
HETATM    7  S   UNL     1       9.537   0.301  -0.491  1.00  0.00           S  
HETATM    8  C   UNL     1       7.983   0.470  -1.296  1.00  0.00           C  
HETATM    9  N   UNL     1       3.411  -0.018  -0.377  1.00  0.00           N  
HETATM   10  C   UNL     1       2.356   0.007   0.640  1.00  0.00           C  
HETATM   11  C   UNL     1       0.990   0.090  -0.045  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.111   0.116   1.017  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.423   0.196   0.361  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.507   0.222   1.351  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.834   0.305   0.642  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.404  -0.838   0.101  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.766  -2.034   0.210  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.487   1.518   0.535  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.705   1.594  -0.116  1.00  0.00           C  
HETATM   20 CL   UNL     1      -6.523   3.119  -0.249  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -6.273   0.455  -0.661  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.626  -0.760  -0.551  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.247  -2.000  -1.140  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.026  -2.727  -0.075  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.289  -3.014  -0.268  1.00  0.00           C  
HETATM   26  H   UNL     1       5.439  -0.152  -1.881  1.00  0.00           H  
HETATM   27  H   UNL     1       6.812  -1.168   1.322  1.00  0.00           H  
HETATM   28  H   UNL     1       9.310  -0.950   1.707  1.00  0.00           H  
HETATM   29  H   UNL     1       7.823   0.960  -2.246  1.00  0.00           H  
HETATM   30  H   UNL     1       3.178   0.018  -1.318  1.00  0.00           H  
HETATM   31  H   UNL     1       2.408  -0.903   1.238  1.00  0.00           H  
HETATM   32  H   UNL     1       2.493   0.875   1.284  1.00  0.00           H  
HETATM   33  H   UNL     1       0.939   0.999  -0.643  1.00  0.00           H  
HETATM   34  H   UNL     1       0.853  -0.778  -0.689  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.060  -0.794   1.616  1.00  0.00           H  
HETATM   36  H   UNL     1       0.026   0.984   1.662  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.548  -0.564  -0.292  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.472  -0.686   1.953  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.386   1.091   1.998  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.999  -2.533   1.005  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.046   2.407   0.960  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.224   0.516  -1.168  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.917  -1.720  -1.953  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.462  -2.652  -1.525  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.542  -3.012   0.848  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.847  -3.534   0.496  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.773  -2.729  -1.190  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    9    1    1    3                                       
CONECT    3    2    4   26                                            
CONECT    4    3    8    8    5                                       
CONECT    5    4    6    6   27                                       
CONECT    6    5    5    7   28                                       
CONECT    7    8    6                                                 
CONECT    8    4    4    7   29                                       
CONECT    9   10    2   30                                            
CONECT   10   11    9   31   32                                       
CONECT   11   12   10   33   34                                       
CONECT   12   13   11   35   36                                       
CONECT   13   14   12   37                                            
CONECT   14   15   13   38   39                                       
CONECT   15   14   18   16   16                                       
CONECT   16   15   15   22   17                                       
CONECT   17   16   40                                                 
CONECT   18   19   19   15   41                                       
CONECT   19   20   18   18   21                                       
CONECT   20   19                                                      
CONECT   21   19   22   22   42                                       
CONECT   22   21   21   16   23                                       
CONECT   23   24   22   43   44                                       
CONECT   24   25   25   23   45                                       
CONECT   25   24   24   46   47                                       
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
