COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.071   1.127  -0.755  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.442   1.146  -0.570  1.00  0.00           C  
HETATM    3 CL   UNL     1      -5.300   2.655  -0.593  1.00  0.00          Cl  
HETATM    4  C   UNL     1      -5.129  -0.037  -0.367  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.445  -1.239  -0.349  1.00  0.00           C  
HETATM    6 CL   UNL     1      -5.307  -2.725  -0.095  1.00  0.00          Cl  
HETATM    7  C   UNL     1      -3.074  -1.258  -0.535  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.388  -0.075  -0.737  1.00  0.00           C  
HETATM    9  S   UNL     1      -0.643  -0.100  -0.980  1.00  0.00           S  
HETATM   10  O   UNL     1      -0.322  -1.400  -1.454  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.319   1.088  -1.690  1.00  0.00           O  
HETATM   12  N   UNL     1       0.062   0.041   0.513  1.00  0.00           N  
HETATM   13  C   UNL     1       0.374   1.356   1.063  1.00  0.00           C  
HETATM   14  C   UNL     1       1.833   1.649   0.787  1.00  0.00           C  
HETATM   15  O   UNL     1       2.129   2.579   0.058  1.00  0.00           O  
HETATM   16  C   UNL     1       0.168   1.387   2.573  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.667   0.263   3.128  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.394  -1.132   2.600  1.00  0.00           C  
HETATM   19  C   UNL     1       0.373  -1.148   1.294  1.00  0.00           C  
HETATM   20  C   UNL     1       1.862  -1.388   1.454  1.00  0.00           C  
HETATM   21  C   UNL     1       2.492  -1.606   0.102  1.00  0.00           C  
HETATM   22  C   UNL     1       3.108  -2.732  -0.160  1.00  0.00           C  
HETATM   23  C   UNL     1       2.562  -0.252   2.189  1.00  0.00           C  
HETATM   24  N   UNL     1       2.803   0.902   1.329  1.00  0.00           N  
HETATM   25  C   UNL     1       4.199   1.293   1.053  1.00  0.00           C  
HETATM   26  C   UNL     1       4.687   0.575  -0.179  1.00  0.00           C  
HETATM   27  N   UNL     1       5.179  -0.644  -0.072  1.00  0.00           N  
HETATM   28  C   UNL     1       5.616  -1.310  -1.123  1.00  0.00           C  
HETATM   29  C   UNL     1       5.575  -0.747  -2.384  1.00  0.00           C  
HETATM   30  C   UNL     1       5.065   0.533  -2.536  1.00  0.00           C  
HETATM   31  C   UNL     1       4.609   1.200  -1.409  1.00  0.00           C  
HETATM   32  H   UNL     1      -2.535   2.050  -0.918  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.199  -0.022  -0.222  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.540  -2.196  -0.521  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.248   2.120   0.582  1.00  0.00           H  
HETATM   36  H   UNL     1       1.131   1.444   3.083  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.344   2.340   2.817  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.544   0.243   4.223  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.729   0.494   2.949  1.00  0.00           H  
HETATM   40  H   UNL     1       0.174  -1.691   3.351  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.349  -1.649   2.455  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.020  -2.003   0.715  1.00  0.00           H  
HETATM   43  H   UNL     1       2.001  -2.312   2.039  1.00  0.00           H  
HETATM   44  H   UNL     1       2.436  -0.833  -0.651  1.00  0.00           H  
HETATM   45  H   UNL     1       3.165  -3.504   0.593  1.00  0.00           H  
HETATM   46  H   UNL     1       3.560  -2.888  -1.128  1.00  0.00           H  
HETATM   47  H   UNL     1       1.995   0.024   3.075  1.00  0.00           H  
HETATM   48  H   UNL     1       3.539  -0.623   2.543  1.00  0.00           H  
HETATM   49  H   UNL     1       4.250   2.369   0.891  1.00  0.00           H  
HETATM   50  H   UNL     1       4.826   1.023   1.903  1.00  0.00           H  
HETATM   51  H   UNL     1       6.013  -2.306  -0.996  1.00  0.00           H  
HETATM   52  H   UNL     1       5.935  -1.297  -3.241  1.00  0.00           H  
HETATM   53  H   UNL     1       5.020   0.998  -3.510  1.00  0.00           H  
HETATM   54  H   UNL     1       4.205   2.198  -1.491  1.00  0.00           H  
CONECT    1    2    8    8   32                                       
CONECT    2    3    4    4    1                                       
CONECT    3    2                                                      
CONECT    4    2    2    5   33                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5                                                      
CONECT    7    5    5    8   34                                       
CONECT    8    1    1    7    9                                       
CONECT    9    8   12   11   11                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   13   19    9                                            
CONECT   13   14   12   16   35                                       
CONECT   14   24   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   36   37                                       
CONECT   17   16   18   38   39                                       
CONECT   18   19   17   40   41                                       
CONECT   19   20   12   18   42                                       
CONECT   20   23   21   19   43                                       
CONECT   21   22   22   20   44                                       
CONECT   22   21   21   45   46                                       
CONECT   23   24   20   47   48                                       
CONECT   24   25   23   14                                            
CONECT   25   26   24   49   50                                       
CONECT   26   31   31   27   25                                       
CONECT   27   28   28   26                                            
CONECT   28   29   27   27   51                                       
CONECT   29   30   30   28   52                                       
CONECT   30   29   29   31   53                                       
CONECT   31   30   26   26   54                                       
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35   13                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
