COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.300   1.721   0.425  1.00  0.00           N  
HETATM    2  C   UNL     1       0.076   3.094   0.769  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.051   4.029   0.413  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.051   4.372   1.226  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.974   5.247   0.678  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.723   5.614  -0.579  1.00  0.00           C  
HETATM    7  C   UNL     1       0.167  -0.706   0.314  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.365  -2.523   0.858  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.271  -3.485   1.057  1.00  0.00           C  
HETATM   10  C   UNL     1       3.582  -0.990   0.901  1.00  0.00           C  
HETATM   11  C   UNL     1       4.856  -0.363  -1.030  1.00  0.00           C  
HETATM   12  C   UNL     1       3.748  -0.571  -1.833  1.00  0.00           C  
HETATM   13  C   UNL     1       2.553  -0.978  -1.272  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.586  -2.935   0.465  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.030  -1.184   1.500  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.757  -0.176   0.348  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.090  -1.098   1.097  1.00  0.00           C  
HETATM   18  C   UNL     1       0.954  -2.999   0.275  1.00  0.00           C  
HETATM   19  C   UNL     1       2.468  -1.194   0.098  1.00  0.00           C  
HETATM   20  C   UNL     1       4.773  -0.572   0.336  1.00  0.00           C  
HETATM   21  C   UNL     1       0.557   0.708   0.662  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.703  -1.973   0.397  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.500  -0.911  -0.790  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.458  -1.834  -0.782  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.997  -2.368  -3.032  1.00  0.00           C  
HETATM   26  N   UNL     1       1.264  -1.617   0.666  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.030  -0.330   1.441  1.00  0.00           N  
HETATM   28  O   UNL     1       1.642   0.934   1.154  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.178  -2.578  -1.880  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.768  -4.100   0.168  1.00  0.00           O  
HETATM   31  S   UNL     1      -1.246   4.838  -1.137  1.00  0.00           S  
HETATM   32 CL   UNL     1       6.164  -0.310   1.340  1.00  0.00          Cl  
HETATM   33 CL   UNL     1       6.352   0.162  -1.737  1.00  0.00          Cl  
HETATM   34  H   UNL     1      -1.168   1.540   0.031  1.00  0.00           H  
HETATM   35  H   UNL     1       0.278   3.159   1.838  1.00  0.00           H  
HETATM   36  H   UNL     1       0.971   3.376   0.213  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.135   3.997   2.235  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.832   5.606   1.228  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.332   6.286  -1.165  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.035  -0.775  -0.755  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.027  -3.547   2.118  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.574  -4.466   0.690  1.00  0.00           H  
HETATM   43  H   UNL     1       3.518  -1.154   1.967  1.00  0.00           H  
HETATM   44  H   UNL     1       3.816  -0.407  -2.898  1.00  0.00           H  
HETATM   45  H   UNL     1       1.689  -1.140  -1.899  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.461  -1.279   2.413  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.567   0.538   0.347  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.925  -0.930   2.162  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.935  -0.500   0.757  1.00  0.00           H  
HETATM   50  H   UNL     1       1.807  -3.640   0.500  1.00  0.00           H  
HETATM   51  H   UNL     1       0.742  -3.037  -0.793  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.102  -0.775  -1.676  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.035  -2.591  -2.784  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.914  -1.330  -3.352  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.667  -3.025  -3.837  1.00  0.00           H  
CONECT    1    2   21   34                                            
CONECT    2    1    3   35   36                                       
CONECT    3    2   31    4    4                                       
CONECT    4    3    3    5   37                                       
CONECT    5    6    6    4   38                                       
CONECT    6   31    5    5   39                                       
CONECT    7   17   21   26   40                                       
CONECT    8   17   14    9                                            
CONECT    9    8   18   41   42                                       
CONECT   10   19   19   20   43                                       
CONECT   11   20   20   12   33                                       
CONECT   12   13   13   11   44                                       
CONECT   13   19   12   12   45                                       
CONECT   14   22    8   30   30                                       
CONECT   15   27   27   22   46                                       
CONECT   16   23   23   27   47                                       
CONECT   17    8    7   48   49                                       
CONECT   18    9   26   50   51                                       
CONECT   19   26   10   10   13                                       
CONECT   20   10   32   11   11                                       
CONECT   21   28   28    1    7                                       
CONECT   22   24   24   15   14                                       
CONECT   23   16   16   24   52                                       
CONECT   24   23   29   22   22                                       
CONECT   25   29   53   54   55                                       
CONECT   26    7   18   19                                            
CONECT   27   16   15   15                                            
CONECT   28   21   21                                                 
CONECT   29   25   24                                                 
CONECT   30   14   14                                                 
CONECT   31    3    6                                                 
CONECT   32   20                                                      
CONECT   33   11                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
