COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.852  -1.503  -1.065  1.00  0.00           C  
HETATM    2  C   UNL     1       6.144   1.893   1.411  1.00  0.00           C  
HETATM    3  C   UNL     1       7.863   2.535  -0.614  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.451  -0.116   0.259  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.386  -2.874   0.527  1.00  0.00           O  
HETATM    6  S   UNL     1      -3.751  -1.910   1.357  1.00  0.00           S  
HETATM    7  C   UNL     1      -2.334  -1.168   0.501  1.00  0.00           C  
HETATM    8  P   UNL     1      -1.023  -2.419   0.300  1.00  0.00           P  
HETATM    9  O   UNL     1       0.235  -1.760  -0.459  1.00  0.00           O  
HETATM   10  C   UNL     1       1.465  -2.455  -0.675  1.00  0.00           C  
HETATM   11  C   UNL     1       2.441  -1.544  -1.421  1.00  0.00           C  
HETATM   12  C   UNL     1       3.731  -2.319  -1.753  1.00  0.00           C  
HETATM   13  O   UNL     1       3.939  -2.362  -3.167  1.00  0.00           O  
HETATM   14  O   UNL     1       6.007  -1.416  -1.902  1.00  0.00           O  
HETATM   15  C   UNL     1       4.185  -0.115  -0.895  1.00  0.00           C  
HETATM   16  N   UNL     1       4.805   0.624   0.208  1.00  0.00           N  
HETATM   17  C   UNL     1       4.359   0.671   1.497  1.00  0.00           C  
HETATM   18  N   UNL     1       5.152   1.424   2.204  1.00  0.00           N  
HETATM   19  C   UNL     1       5.928   1.389   0.134  1.00  0.00           C  
HETATM   20  C   UNL     1       7.305   2.763   1.623  1.00  0.00           C  
HETATM   21  N   UNL     1       8.104   3.033   0.580  1.00  0.00           N  
HETATM   22  N   UNL     1       8.713   2.846  -1.641  1.00  0.00           N  
HETATM   23  N   UNL     1       6.803   1.724  -0.867  1.00  0.00           N  
HETATM   24  O   UNL     1       7.539   3.232   2.726  1.00  0.00           O  
HETATM   25  O   UNL     1       2.812  -0.436  -0.585  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.596  -2.905   1.631  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.587  -3.653  -0.567  1.00  0.00           O  
HETATM   28  N   UNL     1      -4.854  -0.680   1.472  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.679   0.716   0.634  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.276   1.280  -0.579  1.00  0.00           N  
HETATM   31  C   UNL     1      -8.377   2.054  -0.491  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.991   2.634  -1.739  1.00  0.00           C  
HETATM   33  O   UNL     1      -8.873   2.282   0.592  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.418  -2.210   2.705  1.00  0.00           O  
HETATM   35  H   UNL     1       5.108  -1.933  -0.097  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.722   0.520  -0.243  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.749  -0.924  -0.409  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.648  -0.810  -0.479  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.952  -0.333   1.088  1.00  0.00           H  
HETATM   40  H   UNL     1       1.895  -2.740   0.286  1.00  0.00           H  
HETATM   41  H   UNL     1       1.277  -3.351  -1.268  1.00  0.00           H  
HETATM   42  H   UNL     1       1.980  -1.179  -2.338  1.00  0.00           H  
HETATM   43  H   UNL     1       3.687  -3.328  -1.343  1.00  0.00           H  
HETATM   44  H   UNL     1       4.767  -2.787  -3.430  1.00  0.00           H  
HETATM   45  H   UNL     1       6.407  -2.271  -2.111  1.00  0.00           H  
HETATM   46  H   UNL     1       4.246   0.456  -1.822  1.00  0.00           H  
HETATM   47  H   UNL     1       3.484   0.163   1.872  1.00  0.00           H  
HETATM   48  H   UNL     1       9.476   3.424  -1.481  1.00  0.00           H  
HETATM   49  H   UNL     1       8.553   2.489  -2.529  1.00  0.00           H  
HETATM   50  H   UNL     1       6.664   1.379  -1.763  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.885  -3.407  -1.453  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.105  -0.334   2.342  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.409   0.080   1.136  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.381   1.523   1.302  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.879   1.097  -1.445  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.261   3.270  -2.241  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.289   1.827  -2.407  1.00  0.00           H  
HETATM   58 CL   UNL     1     -10.438   3.614  -1.296  1.00  0.00          Cl  
CONECT    1   14   12   15   35                                       
CONECT    2   18   20   19   19                                       
CONECT    3   21   21   23   22                                       
CONECT    4   29   28   36   37                                       
CONECT    5    6    6                                                 
CONECT    6    5    5    7   28                                       
CONECT    6   34   34                                                 
CONECT    7    6    8   38   39                                       
CONECT    8    7   26   26   27                                       
CONECT    8    9                                                      
CONECT    9    8   10                                                 
CONECT   10    9   11   40   41                                       
CONECT   11   10   12   25   42                                       
CONECT   12    1   11   13   43                                       
CONECT   13   12   44                                                 
CONECT   14    1   45                                                 
CONECT   15    1   16   25   46                                       
CONECT   16   17   19   15                                            
CONECT   17   18   18   16   47                                       
CONECT   18   17   17    2                                            
CONECT   19    2    2   16   23                                       
CONECT   20   24   24    2   21                                       
CONECT   21   20    3    3                                            
CONECT   22    3   48   49                                            
CONECT   23   19    3   50                                            
CONECT   24   20   20                                                 
CONECT   25   11   15                                                 
CONECT   26    8    8                                                 
CONECT   27    8   51                                                 
CONECT   28    4    6   52                                            
CONECT   29    4   30   53   54                                       
CONECT   30   29   31   55                                            
CONECT   31   33   33   30   32                                       
CONECT   32   31   56   57   58                                       
CONECT   33   31   31                                                 
CONECT   34    6    6                                                 
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
