COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.229   3.587  -1.143  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.487   1.847   2.468  1.00  0.00           C  
HETATM    3  C   UNL     1       1.571   0.463   2.276  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.230   0.766   0.423  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.182  -2.959   0.231  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.013  -4.441   1.686  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.928  -1.683  -0.064  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.432  -1.962  -0.077  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.885  -2.381   1.323  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.497  -1.145  -1.430  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.240   0.128  -1.727  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.977   2.169  -1.588  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.187   2.295   3.875  1.00  0.00           C  
HETATM   14  C   UNL     1       0.281   1.042   1.754  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.437   1.393   0.199  1.00  0.00           C  
HETATM   16  C   UNL     1       0.487  -0.061  -0.569  1.00  0.00           C  
HETATM   17  C   UNL     1       1.964   0.046  -0.593  1.00  0.00           C  
HETATM   18  C   UNL     1       2.740  -1.059  -0.943  1.00  0.00           C  
HETATM   19  C   UNL     1       4.115  -0.954  -0.965  1.00  0.00           C  
HETATM   20  C   UNL     1       4.726   0.245  -0.638  1.00  0.00           C  
HETATM   21  C   UNL     1       3.960   1.345  -0.288  1.00  0.00           C  
HETATM   22  C   UNL     1       2.584   1.253  -0.270  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.045   0.370  -2.721  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.483   1.579  -2.642  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.181   1.259  -0.976  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.058  -0.870  -1.418  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.924  -3.729  -0.663  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.804  -3.239   1.488  1.00  0.00           O  
HETATM   29  S   UNL     1      -1.908   2.316   1.554  1.00  0.00           S  
HETATM   30 CL   UNL     1       6.457   0.370  -0.666  1.00  0.00          Cl  
HETATM   31  H   UNL     1      -4.088   3.609  -0.473  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.351   3.965  -0.621  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.431   4.210  -2.014  1.00  0.00           H  
HETATM   34  H   UNL     1       2.389   1.154   2.070  1.00  0.00           H  
HETATM   35  H   UNL     1       1.490   0.305   3.351  1.00  0.00           H  
HETATM   36  H   UNL     1       1.768  -0.489   1.783  1.00  0.00           H  
HETATM   37  H   UNL     1       0.292  -4.507   2.730  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.609  -5.315   1.425  1.00  0.00           H  
HETATM   39  H   UNL     1       0.872  -4.402   1.051  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.702  -0.944   0.705  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.966  -1.061  -0.378  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.646  -2.765  -0.784  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.957  -2.580   1.313  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.351  -3.282   1.623  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.671  -1.579   2.029  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.719  -1.885  -2.200  1.00  0.00           H  
HETATM   47  H   UNL     1       0.396   3.216   3.846  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.121   2.473   4.407  1.00  0.00           H  
HETATM   49  H   UNL     1       0.383   1.521   4.389  1.00  0.00           H  
HETATM   50  H   UNL     1       2.265  -1.995  -1.198  1.00  0.00           H  
HETATM   51  H   UNL     1       4.717  -1.809  -1.236  1.00  0.00           H  
HETATM   52  H   UNL     1       4.442   2.278  -0.034  1.00  0.00           H  
HETATM   53  H   UNL     1       1.988   2.112  -0.002  1.00  0.00           H  
CONECT    1   12   31   32   33                                       
CONECT    2   29   14   14   13                                       
CONECT    3   14   34   35   36                                       
CONECT    4   16   15   15   14                                       
CONECT    5   28    7   27   27                                       
CONECT    6   28   37   38   39                                       
CONECT    7    8    5   10   40                                       
CONECT    8    9    7   41   42                                       
CONECT    9    8   43   44   45                                       
CONECT   10    7   11   26   46                                       
CONECT   11   23   23   10   25                                       
CONECT   12   24   24   25    1                                       
CONECT   13    2   47   48   49                                       
CONECT   14    4    3    2    2                                       
CONECT   15   25    4    4   29                                       
CONECT   16   26   26   17    4                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   50                                       
CONECT   19   18   20   20   51                                       
CONECT   20   19   19   21   30                                       
CONECT   21   22   22   20   52                                       
CONECT   22   17   21   21   53                                       
CONECT   23   11   11   24                                            
CONECT   24   23   12   12                                            
CONECT   25   11   12   15                                            
CONECT   26   10   16   16                                            
CONECT   27    5    5                                                 
CONECT   28    6    5                                                 
CONECT   29   15    2                                                 
CONECT   30   20                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
