COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.155  -2.001  -1.402  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.023   1.306  -0.740  1.00  0.00           N  
HETATM    3  C   UNL     1       2.235  -2.209   1.508  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.419  -1.045   1.398  1.00  0.00           C  
HETATM    5  C   UNL     1       0.513   0.988   0.498  1.00  0.00           C  
HETATM    6  C   UNL     1       3.161  -0.186   0.612  1.00  0.00           C  
HETATM    7  C   UNL     1       7.973  -0.049   0.032  1.00  0.00           C  
HETATM    8  C   UNL     1       6.753  -0.887   0.423  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.695  -0.573  -2.301  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.752   1.539   0.447  1.00  0.00           C  
HETATM   11  C   UNL     1       0.686  -0.310   0.975  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.847   0.805   0.869  1.00  0.00           C  
HETATM   13  C   UNL     1       9.011   1.157  -1.794  1.00  0.00           C  
HETATM   14  N   UNL     1       4.547  -2.022   1.135  1.00  0.00           N  
HETATM   15  N   UNL     1      -4.221  -1.820  -2.430  1.00  0.00           N  
HETATM   16  C   UNL     1       3.510  -2.732   1.540  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.192  -0.908  -0.682  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.680  -0.484   1.344  1.00  0.00           C  
HETATM   19  C   UNL     1       2.043  -0.907   1.032  1.00  0.00           C  
HETATM   20  C   UNL     1       4.413  -0.784   0.682  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.282   0.010  -1.225  1.00  0.00           C  
HETATM   22  N   UNL     1       7.824   0.411  -1.356  1.00  0.00           N  
HETATM   23  N   UNL     1       5.536  -0.078   0.267  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.065  -0.677   0.525  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.650   0.049  -3.191  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.872  -2.801  -3.461  1.00  0.00           C  
HETATM   27  C   UNL     1       6.606   1.220  -1.512  1.00  0.00           C  
HETATM   28  C   UNL     1       5.387   0.382  -1.121  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.288   2.915   0.981  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.283   0.719   1.643  1.00  0.00           O  
HETATM   31 CL   UNL     1      -3.059  -1.398   1.871  1.00  0.00          Cl  
HETATM   32 CL   UNL     1      -0.969   3.156  -0.146  1.00  0.00          Cl  
HETATM   33  S   UNL     1      -3.458   1.515   0.803  1.00  0.00           S  
HETATM   34  H   UNL     1      -4.175   2.076  -1.310  1.00  0.00           H  
HETATM   35  H   UNL     1       1.394  -2.798   1.842  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.290  -2.053   1.765  1.00  0.00           H  
HETATM   37  H   UNL     1       1.367   1.561   0.168  1.00  0.00           H  
HETATM   38  H   UNL     1       3.055   0.822   0.238  1.00  0.00           H  
HETATM   39  H   UNL     1       8.049   0.813   0.694  1.00  0.00           H  
HETATM   40  H   UNL     1       6.693  -1.763  -0.222  1.00  0.00           H  
HETATM   41  H   UNL     1       9.888   0.513  -1.732  1.00  0.00           H  
HETATM   42  H   UNL     1       8.874   1.485  -2.825  1.00  0.00           H  
HETATM   43  H   UNL     1       9.152   2.026  -1.152  1.00  0.00           H  
HETATM   44  H   UNL     1       3.664  -3.738   1.903  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.566  -1.063   1.413  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.243   0.392   0.644  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.016  -1.191   0.389  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.658  -0.176  -2.799  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.743  -0.356  -4.199  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.793   1.129  -3.219  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.526  -2.670  -4.323  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.836  -2.656  -3.764  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.997  -3.808  -3.061  1.00  0.00           H  
HETATM   54  H   UNL     1       6.667   2.096  -0.867  1.00  0.00           H  
HETATM   55  H   UNL     1       6.511   1.538  -2.550  1.00  0.00           H  
HETATM   56  H   UNL     1       5.310  -0.481  -1.783  1.00  0.00           H  
HETATM   57  H   UNL     1       4.486   0.989  -1.208  1.00  0.00           H  
HETATM   58  H   UNL     1       8.874  -0.655   0.119  1.00  0.00           H  
HETATM   59  H   UNL     1       6.848  -1.205   1.461  1.00  0.00           H  
CONECT    1   15   17   17                                            
CONECT    2   21   33   34                                            
CONECT    3   16   19   19   35                                       
CONECT    4   18   18   11   36                                       
CONECT    5   11   11   10   37                                       
CONECT    6   20   20   19   38                                       
CONECT    7   22    8   39   58                                       
CONECT    8    7   23   40   59                                       
CONECT    9   15   25   21   21                                       
CONECT   10   12   12    5   32                                       
CONECT   11   19    4    5    5                                       
CONECT   12   18   10   10   33                                       
CONECT   13   22   41   42   43                                       
CONECT   14   20   16   16                                            
CONECT   15   26    1    9                                            
CONECT   16   14   14    3   44                                       
CONECT   17    1    1   24   21                                       
CONECT   18   31    4    4   12                                       
CONECT   19    6    3    3   11                                       
CONECT   20   23    6    6   14                                       
CONECT   21   17    9    9    2                                       
CONECT   22   13    7   27                                            
CONECT   23   28    8   20                                            
CONECT   24   17   45   46   47                                       
CONECT   25    9   48   49   50                                       
CONECT   26   15   51   52   53                                       
CONECT   27   22   28   54   55                                       
CONECT   28   27   23   56   57                                       
CONECT   29   33   33                                                 
CONECT   30   33   33                                                 
CONECT   31   18                                                      
CONECT   32   10                                                      
CONECT   33   12   30   30    2                                       
CONECT   33   29   29                                                 
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
