COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.295  -0.766   2.874  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.137   0.406   9.242  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.424  -0.649   6.171  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.399  -0.174   7.044  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.144  -0.068   8.411  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.016  -0.631   4.829  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.653   0.212   6.573  1.00  0.00           C  
HETATM    8  C   UNL     1       0.664   0.332   6.181  1.00  0.00           C  
HETATM    9  C   UNL     1       1.221  -0.206   3.809  1.00  0.00           C  
HETATM   10  C   UNL     1       0.004  -1.136   3.807  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.314   0.757   8.759  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.594   0.671   7.471  1.00  0.00           C  
HETATM   13  C   UNL     1       1.777  -0.119   5.234  1.00  0.00           C  
HETATM   14  C   UNL     1       0.474   1.009  -4.534  1.00  0.00           C  
HETATM   15  C   UNL     1       1.202   0.120  -3.873  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.232   1.496  -6.281  1.00  0.00           C  
HETATM   17  S   UNL     1       2.323   0.653  -2.622  1.00  0.00           S  
HETATM   18  C   UNL     1      -0.465   0.562  -5.583  1.00  0.00           C  
HETATM   19 CL   UNL     1      -3.330  -0.800  -8.782  1.00  0.00          Cl  
HETATM   20  O   UNL     1       3.576   0.071  -2.954  1.00  0.00           O  
HETATM   21  C   UNL     1       2.873  -1.276   0.648  1.00  0.00           C  
HETATM   22  C   UNL     1       2.391  -1.373  -0.802  1.00  0.00           C  
HETATM   23  N   UNL     1       1.857  -0.061  -1.203  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.589  -0.795  -5.880  1.00  0.00           C  
HETATM   25  C   UNL     1       1.471   0.570   1.117  1.00  0.00           C  
HETATM   26  C   UNL     1       0.901   0.597  -0.299  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.107   1.073  -7.259  1.00  0.00           C  
HETATM   28  N   UNL     1       1.773  -0.813   1.502  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.472  -1.207  -6.857  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.226  -0.275  -7.550  1.00  0.00           C  
HETATM   31  O   UNL     1       2.080   2.042  -2.453  1.00  0.00           O  
HETATM   32  H   UNL     1       2.567  -1.772   3.194  1.00  0.00           H  
HETATM   33  H   UNL     1       3.175  -0.124   2.906  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.949   0.492  10.302  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.184  -0.354   8.813  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.309   0.386   4.575  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.895  -1.276   4.812  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.888   0.144   5.521  1.00  0.00           H  
HETATM   39  H   UNL     1       0.282   1.300   5.856  1.00  0.00           H  
HETATM   40  H   UNL     1       1.062   0.422   7.192  1.00  0.00           H  
HETATM   41  H   UNL     1       0.923   0.785   3.470  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.446  -1.143   2.815  1.00  0.00           H  
HETATM   43  H   UNL     1       0.317  -2.146   4.073  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.569   0.968   7.117  1.00  0.00           H  
HETATM   45  H   UNL     1       2.143  -1.098   5.543  1.00  0.00           H  
HETATM   46  H   UNL     1       2.594   0.601   5.262  1.00  0.00           H  
HETATM   47  H   UNL     1       0.569   2.061  -4.306  1.00  0.00           H  
HETATM   48  H   UNL     1       1.107  -0.931  -4.101  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.140   2.548  -6.055  1.00  0.00           H  
HETATM   50  H   UNL     1       3.207  -2.257   0.985  1.00  0.00           H  
HETATM   51  H   UNL     1       3.701  -0.570   0.708  1.00  0.00           H  
HETATM   52  H   UNL     1       1.607  -2.127  -0.879  1.00  0.00           H  
HETATM   53  H   UNL     1       3.225  -1.643  -1.449  1.00  0.00           H  
HETATM   54  H   UNL     1       0.002  -1.522  -5.344  1.00  0.00           H  
HETATM   55  H   UNL     1       0.743   0.988   1.812  1.00  0.00           H  
HETATM   56  H   UNL     1       2.385   1.163   1.150  1.00  0.00           H  
HETATM   57  H   UNL     1       0.748   1.630  -0.613  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.047   0.061  -0.323  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.701   1.795  -7.800  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.569  -2.257  -7.088  1.00  0.00           H  
CONECT    1    9   28   32   33                                       
CONECT    2    5    5   11   34                                       
CONECT    3    4    6    8                                            
CONECT    4    3    5    7    7                                       
CONECT    5    2    2    4   35                                       
CONECT    6    3   10   36   37                                       
CONECT    7    4    4   12   38                                       
CONECT    8    3   13   39   40                                       
CONECT    9    1   10   13   41                                       
CONECT   10    6    9   42   43                                       
CONECT   11    2   12   12                                            
CONECT   12    7   11   11   44                                       
CONECT   13    8    9   45   46                                       
CONECT   14   15   15   18   47                                       
CONECT   15   14   14   17   48                                       
CONECT   16   18   18   27   49                                       
CONECT   17   15   20   20   23                                       
CONECT   17   31   31                                                 
CONECT   18   14   16   16   24                                       
CONECT   19   30                                                      
CONECT   20   17   17                                                 
CONECT   21   22   28   50   51                                       
CONECT   22   21   23   52   53                                       
CONECT   23   17   22   26                                            
CONECT   24   18   29   29   54                                       
CONECT   25   26   28   55   56                                       
CONECT   26   23   25   57   58                                       
CONECT   27   16   30   30   59                                       
CONECT   28    1   21   25                                            
CONECT   29   24   24   30   60                                       
CONECT   30   19   27   27   29                                       
CONECT   31   17   17                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   29                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
