COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.353  -0.635  -1.746  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.136  -0.894  -0.683  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.838   0.086   0.292  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.675  -3.208  -1.390  1.00  0.00           C  
HETATM    5  C   UNL     1       0.219   1.213   0.706  1.00  0.00           C  
HETATM    6  C   UNL     1       2.337   0.129   0.681  1.00  0.00           C  
HETATM    7  C   UNL     1       3.062   0.825  -0.277  1.00  0.00           C  
HETATM    8  C   UNL     1       4.088   0.197  -0.955  1.00  0.00           C  
HETATM    9  C   UNL     1       4.394  -1.124  -0.680  1.00  0.00           C  
HETATM   10  C   UNL     1       3.673  -1.820   0.274  1.00  0.00           C  
HETATM   11  C   UNL     1       2.646  -1.197   0.955  1.00  0.00           C  
HETATM   12  C   UNL     1       2.729   2.264  -0.577  1.00  0.00           C  
HETATM   13  C   UNL     1       3.556   3.178   0.328  1.00  0.00           C  
HETATM   14  C   UNL     1       3.053   2.567  -2.041  1.00  0.00           C  
HETATM   15  C   UNL     1       1.865  -1.953   1.998  1.00  0.00           C  
HETATM   16  C   UNL     1       1.191  -3.165   1.352  1.00  0.00           C  
HETATM   17  C   UNL     1       2.813  -2.425   3.102  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.892   0.884  -0.233  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.602   0.443  -1.468  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.138  -2.012  -0.555  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.246  -2.401   0.815  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.501  -1.535  -1.059  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.157   2.274   0.563  1.00  0.00           S  
HETATM   24  N   UNL     1      -0.829   1.723   1.384  1.00  0.00           N  
HETATM   25  O   UNL     1      -1.669   3.117  -0.472  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.085   2.709   1.547  1.00  0.00           O  
HETATM   27  N   UNL     1       1.300   0.765   1.374  1.00  0.00           N  
HETATM   28  O   UNL     1       0.188   1.158  -0.508  1.00  0.00           O  
HETATM   29 CL   UNL     1       5.685  -1.911  -1.535  1.00  0.00          Cl  
HETATM   30  H   UNL     1      -3.330  -1.201  -2.665  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.285   0.176   1.271  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.704  -3.548  -1.031  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.400  -4.017  -1.298  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.593  -2.911  -2.436  1.00  0.00           H  
HETATM   35  H   UNL     1       4.653   0.738  -1.701  1.00  0.00           H  
HETATM   36  H   UNL     1       3.914  -2.851   0.486  1.00  0.00           H  
HETATM   37  H   UNL     1       1.668   2.436  -0.396  1.00  0.00           H  
HETATM   38  H   UNL     1       4.617   3.005   0.147  1.00  0.00           H  
HETATM   39  H   UNL     1       3.316   4.219   0.111  1.00  0.00           H  
HETATM   40  H   UNL     1       3.326   2.962   1.372  1.00  0.00           H  
HETATM   41  H   UNL     1       2.463   1.916  -2.686  1.00  0.00           H  
HETATM   42  H   UNL     1       2.812   3.608  -2.258  1.00  0.00           H  
HETATM   43  H   UNL     1       4.114   2.395  -2.222  1.00  0.00           H  
HETATM   44  H   UNL     1       1.104  -1.300   2.427  1.00  0.00           H  
HETATM   45  H   UNL     1       1.951  -3.818   0.923  1.00  0.00           H  
HETATM   46  H   UNL     1       0.626  -3.712   2.107  1.00  0.00           H  
HETATM   47  H   UNL     1       0.515  -2.829   0.565  1.00  0.00           H  
HETATM   48  H   UNL     1       2.248  -2.973   3.857  1.00  0.00           H  
HETATM   49  H   UNL     1       3.573  -3.078   2.674  1.00  0.00           H  
HETATM   50  H   UNL     1       3.293  -1.562   3.563  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.417  -2.716   1.201  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.226  -2.344  -0.967  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.831  -0.683  -0.465  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.419  -1.238  -2.105  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.805   1.767   2.352  1.00  0.00           H  
HETATM   56  H   UNL     1       1.359   0.883   2.335  1.00  0.00           H  
CONECT    1    2    2   19   30                                       
CONECT    2   20    3    1    1                                       
CONECT    3    2   18   18   31                                       
CONECT    4   20   32   33   34                                       
CONECT    5   28   28   27   24                                       
CONECT    6    7    7   11   27                                       
CONECT    7    8   12    6    6                                       
CONECT    8    9    9    7   35                                       
CONECT    9   29    8    8   10                                       
CONECT   10    9   11   11   36                                       
CONECT   11   10   10    6   15                                       
CONECT   12   14    7   13   37                                       
CONECT   13   12   38   39   40                                       
CONECT   14   12   41   42   43                                       
CONECT   15   11   16   17   44                                       
CONECT   16   15   45   46   47                                       
CONECT   17   15   48   49   50                                       
CONECT   18    3    3   19   23                                       
CONECT   19    1   18                                                 
CONECT   20    4   21   22    2                                       
CONECT   21   20   51                                                 
CONECT   22   20   52   53   54                                       
CONECT   23   18   26   26   24                                       
CONECT   23   25   25                                                 
CONECT   24    5   23   55                                            
CONECT   25   23   23                                                 
CONECT   26   23   23                                                 
CONECT   27    6    5   56                                            
CONECT   28    5    5                                                 
CONECT   29    9                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   27                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
