COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       5.248  -2.041  -1.224  1.00  0.00          Cl  
HETATM    2  C   UNL     1       5.617  -0.664  -0.234  1.00  0.00           C  
HETATM    3  C   UNL     1       6.850  -0.049  -0.334  1.00  0.00           C  
HETATM    4  C   UNL     1       7.143   1.051   0.451  1.00  0.00           C  
HETATM    5  C   UNL     1       6.205   1.543   1.341  1.00  0.00           C  
HETATM    6  C   UNL     1       4.970   0.939   1.452  1.00  0.00           C  
HETATM    7  C   UNL     1       4.666  -0.172   0.664  1.00  0.00           C  
HETATM    8  C   UNL     1       3.343  -0.820   0.773  1.00  0.00           C  
HETATM    9  O   UNL     1       3.267  -2.016   0.978  1.00  0.00           O  
HETATM   10  N   UNL     1       2.220  -0.086   0.646  1.00  0.00           N  
HETATM   11  C   UNL     1       2.293   1.336   0.283  1.00  0.00           C  
HETATM   12  C   UNL     1       1.432   1.569  -0.964  1.00  0.00           C  
HETATM   13  C   UNL     1       0.900  -0.695   0.861  1.00  0.00           C  
HETATM   14  C   UNL     1       0.041  -0.458  -0.387  1.00  0.00           C  
HETATM   15  N   UNL     1       0.112   0.962  -0.743  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.012   1.694  -0.871  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.947   2.849  -1.243  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.326   1.092  -0.557  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.247   1.790   0.226  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.472   1.223   0.514  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.786  -0.035   0.031  1.00  0.00           C  
HETATM   22  S   UNL     1      -6.352  -0.752   0.404  1.00  0.00           S  
HETATM   23  O   UNL     1      -6.188  -2.158   0.282  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.808  -0.123   1.594  1.00  0.00           O  
HETATM   25  N   UNL     1      -7.398  -0.297  -0.796  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.877  -0.732  -0.745  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.652  -0.174  -1.046  1.00  0.00           C  
HETATM   28  H   UNL     1       7.587  -0.428  -1.027  1.00  0.00           H  
HETATM   29  H   UNL     1       8.108   1.528   0.368  1.00  0.00           H  
HETATM   30  H   UNL     1       6.441   2.403   1.952  1.00  0.00           H  
HETATM   31  H   UNL     1       4.240   1.325   2.148  1.00  0.00           H  
HETATM   32  H   UNL     1       1.917   1.944   1.106  1.00  0.00           H  
HETATM   33  H   UNL     1       3.328   1.606   0.069  1.00  0.00           H  
HETATM   34  H   UNL     1       1.318   2.639  -1.135  1.00  0.00           H  
HETATM   35  H   UNL     1       1.909   1.109  -1.829  1.00  0.00           H  
HETATM   36  H   UNL     1       1.015  -1.766   1.028  1.00  0.00           H  
HETATM   37  H   UNL     1       0.421  -0.237   1.727  1.00  0.00           H  
HETATM   38  H   UNL     1       0.420  -1.062  -1.212  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.993  -0.729  -0.177  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.003   2.771   0.604  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.186   1.761   1.120  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.135  -0.878  -1.043  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.274   0.550  -1.252  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.129  -1.713  -1.120  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.945  -0.717  -1.656  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    7    1                                       
CONECT    3    4    2    2   28                                       
CONECT    4    5    5    3   29                                       
CONECT    5    4    4    6   30                                       
CONECT    6    5    7    7   31                                       
CONECT    7    6    6    2    8                                       
CONECT    8    7   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10   13    8   11                                            
CONECT   11   10   12   32   33                                       
CONECT   12   15   11   34   35                                       
CONECT   13   14   10   36   37                                       
CONECT   14   13   15   38   39                                       
CONECT   15   14   16   12                                            
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   27   27   19                                       
CONECT   19   18   20   20   40                                       
CONECT   20   19   19   21   41                                       
CONECT   21   26   26   20   22                                       
CONECT   22   21   24   24   23                                       
CONECT   22   23   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   42   43                                            
CONECT   26   27   21   21   44                                       
CONECT   27   18   18   26   45                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
