COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.206   2.277  -1.284  1.00  0.00           C  
HETATM    2  C   UNL     1       2.605   1.567  -0.197  1.00  0.00           C  
HETATM    3  C   UNL     1       4.480   2.381   1.252  1.00  0.00           C  
HETATM    4  C   UNL     1       6.005   2.379   1.044  1.00  0.00           C  
HETATM    5  C   UNL     1       6.321   1.196   0.106  1.00  0.00           C  
HETATM    6  C   UNL     1       4.996   0.951  -0.657  1.00  0.00           C  
HETATM    7  C   UNL     1       3.225  -1.061   0.684  1.00  0.00           C  
HETATM    8  C   UNL     1       2.949  -2.182   1.454  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.971   0.102  -0.170  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.555   0.096   0.229  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.583   0.843  -0.337  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.332   0.647   0.230  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.309  -0.248   1.237  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.119   1.363  -0.236  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.076   2.943  -1.716  1.00  0.00           C  
HETATM   16  C   UNL     1       0.144   2.705  -1.112  1.00  0.00           C  
HETATM   17  C   UNL     1       0.240   1.794  -0.067  1.00  0.00           C  
HETATM   18  C   UNL     1       3.923   1.198   0.433  1.00  0.00           C  
HETATM   19  C   UNL     1       2.385  -3.299   0.869  1.00  0.00           C  
HETATM   20  C   UNL     1       2.097  -3.301  -0.485  1.00  0.00           C  
HETATM   21  C   UNL     1       2.373  -2.185  -1.255  1.00  0.00           C  
HETATM   22  C   UNL     1       2.936  -1.066  -0.673  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.890   1.123   0.373  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.876  -0.708   0.486  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.372   0.875  -1.144  1.00  0.00           N  
HETATM   26  N   UNL     1       1.478   1.555   0.541  1.00  0.00           N  
HETATM   27  O   UNL     1       2.559   1.875  -1.370  1.00  0.00           O  
HETATM   28  O   UNL     1       3.774   0.041   1.259  1.00  0.00           O  
HETATM   29  S   UNL     1      -4.869  -0.879   1.520  1.00  0.00           S  
HETATM   30 CL   UNL     1       1.390  -4.707  -1.218  1.00  0.00          Cl  
HETATM   31  H   UNL     1      -3.157   2.463  -1.761  1.00  0.00           H  
HETATM   32  H   UNL     1       4.247   2.247   2.308  1.00  0.00           H  
HETATM   33  H   UNL     1       4.055   3.318   0.892  1.00  0.00           H  
HETATM   34  H   UNL     1       6.320   3.315   0.582  1.00  0.00           H  
HETATM   35  H   UNL     1       6.512   2.246   1.999  1.00  0.00           H  
HETATM   36  H   UNL     1       7.118   1.461  -0.589  1.00  0.00           H  
HETATM   37  H   UNL     1       6.599   0.315   0.685  1.00  0.00           H  
HETATM   38  H   UNL     1       4.884   1.662  -1.476  1.00  0.00           H  
HETATM   39  H   UNL     1       4.945  -0.074  -1.024  1.00  0.00           H  
HETATM   40  H   UNL     1       3.174  -2.180   2.510  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.762   1.528  -1.153  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.425  -0.525   1.792  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.146   3.651  -2.528  1.00  0.00           H  
HETATM   44  H   UNL     1       1.025   3.227  -1.454  1.00  0.00           H  
HETATM   45  H   UNL     1       2.170  -4.172   1.468  1.00  0.00           H  
HETATM   46  H   UNL     1       2.148  -2.189  -2.311  1.00  0.00           H  
HETATM   47  H   UNL     1       3.151  -0.195  -1.274  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.817   0.415   1.186  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.578  -1.281   1.209  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.737   1.444  -1.605  1.00  0.00           H  
HETATM   51  H   UNL     1       1.524   1.380   1.494  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.810  -0.704   0.223  1.00  0.00           H  
CONECT    1   14   14   15   31                                       
CONECT    2   26   27   27   18                                       
CONECT    3   18    4   32   33                                       
CONECT    4    5    3   34   35                                       
CONECT    5    6    4   36   37                                       
CONECT    6   18    5   38   39                                       
CONECT    7   28    8    8   22                                       
CONECT    8    7    7   19   40                                       
CONECT    9   24   10   25   25                                       
CONECT   10   29    9   11   11                                       
CONECT   11   10   10   12   41                                       
CONECT   12   13   13   11   14                                       
CONECT   13   29   12   12   42                                       
CONECT   14   12    1    1   23                                       
CONECT   15    1   16   16   43                                       
CONECT   16   15   15   17   44                                       
CONECT   17   23   23   16   26                                       
CONECT   18    2    6   28    3                                       
CONECT   19    8   20   20   45                                       
CONECT   20   19   19   21   30                                       
CONECT   21   22   22   20   46                                       
CONECT   22    7   21   21   47                                       
CONECT   23   14   17   17   48                                       
CONECT   24    9   49   52                                            
CONECT   25    9    9   50                                            
CONECT   26   17    2   51                                            
CONECT   27    2    2                                                 
CONECT   28   18    7                                                 
CONECT   29   13   10                                                 
CONECT   30   20                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   24                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
