COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.867  -3.157   0.214  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.592  -0.706  -0.804  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.239  -3.135  -0.488  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.632   1.377  -0.312  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.221   0.893   1.900  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.512   2.081   1.801  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.724   2.323   0.693  1.00  0.00           C  
HETATM    8  C   UNL     1       8.698   3.305   1.457  1.00  0.00           C  
HETATM    9  C   UNL     1       5.398   1.949   0.629  1.00  0.00           C  
HETATM   10  C   UNL     1       4.885   0.854  -0.053  1.00  0.00           C  
HETATM   11  C   UNL     1       5.749  -0.066  -0.635  1.00  0.00           C  
HETATM   12  C   UNL     1       7.116   0.109  -0.534  1.00  0.00           C  
HETATM   13  C   UNL     1       7.628   1.198   0.145  1.00  0.00           C  
HETATM   14  C   UNL     1       6.769   2.124   0.723  1.00  0.00           C  
HETATM   15  C   UNL     1       2.954  -0.598  -0.033  1.00  0.00           C  
HETATM   16  C   UNL     1       3.748  -1.665   0.344  1.00  0.00           C  
HETATM   17  C   UNL     1       3.205  -2.935   0.466  1.00  0.00           C  
HETATM   18  C   UNL     1       1.045  -2.101  -0.172  1.00  0.00           C  
HETATM   19  C   UNL     1       1.588  -0.808  -0.299  1.00  0.00           C  
HETATM   20  C   UNL     1       0.534   0.047  -0.695  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.917  -0.206  -1.197  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.334   0.190  -0.213  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.128  -0.054   0.891  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.700  -0.592   3.024  1.00  0.00           C  
HETATM   25  N   UNL     1       3.504   0.677  -0.154  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.292  -2.018  -0.487  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.111   1.114  -1.383  1.00  0.00           N  
HETATM   28  O   UNL     1      -2.839  -0.985  -1.354  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.138   0.873  -2.769  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.506   3.101  -1.828  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.998   0.652   2.990  1.00  0.00           O  
HETATM   32  O   UNL     1       7.274   3.195   1.390  1.00  0.00           O  
HETATM   33  S   UNL     1      -3.626   1.689  -1.724  1.00  0.00           S  
HETATM   34 CL   UNL     1       1.208  -4.755   0.372  1.00  0.00          Cl  
HETATM   35  H   UNL     1      -1.195  -3.649  -1.448  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.980  -3.832   0.309  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.248  -2.756  -0.325  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.583   2.820   2.585  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.178   3.251   0.611  1.00  0.00           H  
HETATM   40  H   UNL     1       9.107   2.428   1.959  1.00  0.00           H  
HETATM   41  H   UNL     1       9.105   3.370   0.448  1.00  0.00           H  
HETATM   42  H   UNL     1       8.967   4.202   2.016  1.00  0.00           H  
HETATM   43  H   UNL     1       4.729   2.666   1.082  1.00  0.00           H  
HETATM   44  H   UNL     1       5.352  -0.919  -1.166  1.00  0.00           H  
HETATM   45  H   UNL     1       7.786  -0.610  -0.983  1.00  0.00           H  
HETATM   46  H   UNL     1       8.696   1.332   0.222  1.00  0.00           H  
HETATM   47  H   UNL     1       4.797  -1.508   0.548  1.00  0.00           H  
HETATM   48  H   UNL     1       3.836  -3.760   0.761  1.00  0.00           H  
HETATM   49  H   UNL     1       0.611   1.109  -0.879  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.261  -0.547  -0.999  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.680  -0.980   0.966  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.370  -0.655   2.167  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.985  -1.414   2.987  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.280  -0.656   3.945  1.00  0.00           H  
HETATM   55  H   UNL     1       2.927   1.441  -0.308  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.363   1.728  -1.316  1.00  0.00           H  
CONECT    1   18   18   17   34                                       
CONECT    2   20   20   21   26                                       
CONECT    3   26   35   36   37                                       
CONECT    4   22   22    7   33                                       
CONECT    5   31   23   23    6                                       
CONECT    6    5    7    7   38                                       
CONECT    7    6    6    4   39                                       
CONECT    8   32   40   41   42                                       
CONECT    9   14   14   10   43                                       
CONECT   10   11   11    9   25                                       
CONECT   11   12   10   10   44                                       
CONECT   12   13   13   11   45                                       
CONECT   13   12   12   14   46                                       
CONECT   14   13   32    9    9                                       
CONECT   15   25   19   19   16                                       
CONECT   16   15   17   17   47                                       
CONECT   17   16   16    1   48                                       
CONECT   18   19   26    1    1                                       
CONECT   19   20   15   15   18                                       
CONECT   20    2    2   19   49                                       
CONECT   21   27   28   28    2                                       
CONECT   22   23    4    4   50                                       
CONECT   23    5    5   22   51                                       
CONECT   24   31   52   53   54                                       
CONECT   25   10   15   55                                            
CONECT   26    2   18    3                                            
CONECT   27   33   21   56                                            
CONECT   28   21   21                                                 
CONECT   29   33   33                                                 
CONECT   30   33   33                                                 
CONECT   31   24    5                                                 
CONECT   32    8   14                                                 
CONECT   33    4   29   29   27                                       
CONECT   33   30   30                                                 
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   27                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
