COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.553  -1.738  -1.703  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.209  -2.222  -1.625  1.00  0.00           C  
HETATM    3  C   UNL     1       4.669  -1.078  -0.740  1.00  0.00           C  
HETATM    4  C   UNL     1       6.007  -0.889  -0.023  1.00  0.00           C  
HETATM    5  C   UNL     1       6.361  -2.165   0.742  1.00  0.00           C  
HETATM    6  C   UNL     1       5.269  -2.463   1.771  1.00  0.00           C  
HETATM    7  C   UNL     1       2.259  -1.561  -0.417  1.00  0.00           C  
HETATM    8  C   UNL     1       3.577  -1.375   0.289  1.00  0.00           C  
HETATM    9  C   UNL     1       3.143   0.929   0.688  1.00  0.00           C  
HETATM   10  C   UNL     1       2.760   1.034  -0.641  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.252  -1.087   0.220  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.319   0.096  -0.092  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.908  -0.019   0.309  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.934  -0.593  -0.428  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.689  -0.568   0.184  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.674   0.020   1.397  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.474  -1.142  -0.445  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.422  -2.276  -2.284  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.119  -1.625  -0.374  1.00  0.00           C  
HETATM   20  C   UNL     1       3.931  -2.652   1.054  1.00  0.00           C  
HETATM   21  C   UNL     1       2.417   2.266  -1.164  1.00  0.00           C  
HETATM   22  C   UNL     1       2.455   3.394  -0.364  1.00  0.00           C  
HETATM   23  C   UNL     1       2.838   3.290   0.962  1.00  0.00           C  
HETATM   24  C   UNL     1       3.181   2.060   1.489  1.00  0.00           C  
HETATM   25  N   UNL     1      -8.227   0.711   0.747  1.00  0.00           N  
HETATM   26  N   UNL     1      -7.713  -0.383  -1.242  1.00  0.00           N  
HETATM   27  N   UNL     1       1.111  -1.572   0.290  1.00  0.00           N  
HETATM   28  O   UNL     1       2.230  -1.701  -1.621  1.00  0.00           O  
HETATM   29  O   UNL     1       3.476  -0.283   1.206  1.00  0.00           O  
HETATM   30  S   UNL     1      -5.231   0.575   1.818  1.00  0.00           S  
HETATM   31 CL   UNL     1       2.024   4.940  -1.024  1.00  0.00          Cl  
HETATM   32  H   UNL     1      -3.499  -1.782  -2.221  1.00  0.00           H  
HETATM   33  H   UNL     1       0.673  -2.645  -2.084  1.00  0.00           H  
HETATM   34  H   UNL     1       4.417  -0.168  -1.285  1.00  0.00           H  
HETATM   35  H   UNL     1       4.746  -1.911  -1.439  1.00  0.00           H  
HETATM   36  H   UNL     1       6.786  -0.677  -0.756  1.00  0.00           H  
HETATM   37  H   UNL     1       5.931  -0.056   0.676  1.00  0.00           H  
HETATM   38  H   UNL     1       6.438  -2.998   0.043  1.00  0.00           H  
HETATM   39  H   UNL     1       7.315  -2.031   1.253  1.00  0.00           H  
HETATM   40  H   UNL     1       5.521  -3.372   2.316  1.00  0.00           H  
HETATM   41  H   UNL     1       5.192  -1.630   2.470  1.00  0.00           H  
HETATM   42  H   UNL     1       2.730   0.154  -1.266  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.186  -0.627   1.194  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.106  -1.028  -1.401  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.795   0.128   2.016  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.487  -2.742  -3.257  1.00  0.00           H  
HETATM   47  H   UNL     1       4.007  -3.485   0.355  1.00  0.00           H  
HETATM   48  H   UNL     1       3.152  -2.864   1.788  1.00  0.00           H  
HETATM   49  H   UNL     1       2.118   2.348  -2.199  1.00  0.00           H  
HETATM   50  H   UNL     1       2.868   4.172   1.585  1.00  0.00           H  
HETATM   51  H   UNL     1       3.475   1.980   2.525  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.157   0.787   0.482  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.075  -0.815  -1.831  1.00  0.00           H  
HETATM   54  H   UNL     1       1.138  -1.544   1.260  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.935   1.067   1.600  1.00  0.00           H  
CONECT    1   18   18   17   32                                       
CONECT    2   19   19   18   33                                       
CONECT    3    4    8   34   35                                       
CONECT    4    5    3   36   37                                       
CONECT    5    4    6   38   39                                       
CONECT    6    5   20   40   41                                       
CONECT    7    8   28   28   27                                       
CONECT    8    3   29   20    7                                       
CONECT    9   10   10   24   29                                       
CONECT   10   21    9    9   42                                       
CONECT   11   19   17   17   43                                       
CONECT   12   25   13   26   26                                       
CONECT   13   14   14   12   30                                       
CONECT   14   15   13   13   44                                       
CONECT   15   17   14   16   16                                       
CONECT   16   15   15   30   45                                       
CONECT   17   11   11    1   15                                       
CONECT   18    2    1    1   46                                       
CONECT   19   27    2    2   11                                       
CONECT   20    6    8   47   48                                       
CONECT   21   22   22   10   49                                       
CONECT   22   31   21   21   23                                       
CONECT   23   22   24   24   50                                       
CONECT   24   23   23    9   51                                       
CONECT   25   12   52   55                                            
CONECT   26   12   12   53                                            
CONECT   27    7   19   54                                            
CONECT   28    7    7                                                 
CONECT   29    9    8                                                 
CONECT   30   13   16                                                 
CONECT   31   22                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   25                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
