COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.207   1.612  -0.366  1.00  0.00           C  
HETATM    2  C   UNL     1       7.662   0.266   0.113  1.00  0.00           C  
HETATM    3  C   UNL     1       6.144   0.235  -0.072  1.00  0.00           C  
HETATM    4  O   UNL     1       5.634  -1.023   0.375  1.00  0.00           O  
HETATM    5  C   UNL     1       4.292  -1.215   0.279  1.00  0.00           C  
HETATM    6  C   UNL     1       3.732  -2.414   0.696  1.00  0.00           C  
HETATM    7  C   UNL     1       2.370  -2.612   0.599  1.00  0.00           C  
HETATM    8  C   UNL     1       1.556  -1.605   0.083  1.00  0.00           C  
HETATM    9  C   UNL     1       2.122  -0.402  -0.335  1.00  0.00           C  
HETATM   10  C   UNL     1       3.484  -0.208  -0.231  1.00  0.00           C  
HETATM   11  C   UNL     1       0.091  -1.815  -0.023  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.449  -2.911  -0.591  1.00  0.00           C  
HETATM   13  S   UNL     1      -2.203  -2.807  -0.533  1.00  0.00           S  
HETATM   14  C   UNL     1      -2.120  -1.248   0.276  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.835  -0.898   0.461  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.431   0.387   1.135  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.441   1.508   0.127  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.746   1.284  -1.025  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.111   2.758   0.506  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.221   3.804  -0.390  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.549   3.568  -1.628  1.00  0.00           N  
HETATM   22  N   UNL     1       0.014   5.093   0.025  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.289  -0.444   0.695  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.377   0.035   2.002  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.470   0.784   2.387  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.478   1.060   1.480  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.398   0.588   0.182  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.307  -0.157  -0.218  1.00  0.00           C  
HETATM   29 CL   UNL     1      -4.207  -0.749  -1.847  1.00  0.00          Cl  
HETATM   30  H   UNL     1       9.289   1.634  -0.233  1.00  0.00           H  
HETATM   31  H   UNL     1       7.968   1.747  -1.420  1.00  0.00           H  
HETATM   32  H   UNL     1       7.754   2.415   0.216  1.00  0.00           H  
HETATM   33  H   UNL     1       8.115  -0.538  -0.468  1.00  0.00           H  
HETATM   34  H   UNL     1       7.902   0.131   1.168  1.00  0.00           H  
HETATM   35  H   UNL     1       5.690   1.038   0.509  1.00  0.00           H  
HETATM   36  H   UNL     1       5.904   0.370  -1.127  1.00  0.00           H  
HETATM   37  H   UNL     1       4.363  -3.194   1.095  1.00  0.00           H  
HETATM   38  H   UNL     1       1.935  -3.545   0.923  1.00  0.00           H  
HETATM   39  H   UNL     1       1.493   0.380  -0.736  1.00  0.00           H  
HETATM   40  H   UNL     1       3.921   0.726  -0.551  1.00  0.00           H  
HETATM   41  H   UNL     1       0.112  -3.730  -1.017  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.133   0.614   1.937  1.00  0.00           H  
HETATM   43  H   UNL     1       0.572   0.281   1.549  1.00  0.00           H  
HETATM   44  H   UNL     1       0.205   2.924   1.408  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.627   4.302  -2.257  1.00  0.00           H  
HETATM   46  H   UNL     1       0.329   5.262   0.927  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.134   5.833  -0.584  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.591  -0.180   2.711  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.539   1.156   3.399  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.331   1.646   1.788  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.186   0.811  -0.522  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3   33   34                                       
CONECT    3    2    4   35   36                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   37                                       
CONECT    7    6    8    8   38                                       
CONECT    8    7    7    9   11                                       
CONECT    9   10   10    8   39                                       
CONECT   10    5    9    9   40                                       
CONECT   11    8   15   12   12                                       
CONECT   12   11   11   13   41                                       
CONECT   13   14   12                                                 
CONECT   14   15   15   23   13                                       
CONECT   15   16   11   14   14                                       
CONECT   16   17   15   42   43                                       
CONECT   17   19   16   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   44                                            
CONECT   20   22   19   21   21                                       
CONECT   21   20   20   45                                            
CONECT   22   20   46   47                                            
CONECT   23   28   14   24   24                                       
CONECT   24   23   23   25   48                                       
CONECT   25   26   26   24   49                                       
CONECT   26   27   25   25   50                                       
CONECT   27   28   28   26   51                                       
CONECT   28   29   27   27   23                                       
CONECT   29   28                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
