COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.275   2.910   0.651  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.509   1.700  -0.421  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.056   0.635  -1.386  1.00  0.00           C  
HETATM    4  C   UNL     1       2.712  -0.631  -0.274  1.00  0.00           C  
HETATM    5  C   UNL     1       1.392  -1.089  -0.216  1.00  0.00           C  
HETATM    6  C   UNL     1       1.129  -2.316   0.425  1.00  0.00           C  
HETATM    7  C   UNL     1       3.382  -2.523   0.875  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.216  -1.417  -0.569  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.660  -1.173  -1.875  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.633  -1.568   1.118  1.00  0.00           C  
HETATM   11  C   UNL     1       4.541   1.926  -2.248  1.00  0.00           C  
HETATM   12  C   UNL     1       4.417   0.976  -1.055  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.820  -1.425   0.564  1.00  0.00           C  
HETATM   14  C   UNL     1       0.425   2.443   0.276  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.859   1.934  -0.234  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.991  -1.072  -2.138  1.00  0.00           C  
HETATM   17  C   UNL     1       0.010   3.427   1.154  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.131  -1.558   0.462  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.511  -1.456   0.199  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.934  -1.211  -1.111  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.340   3.658   1.346  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.768  -1.531  -0.291  1.00  0.00           C  
HETATM   23  C   UNL     1       4.486  -3.309   1.476  1.00  0.00           C  
HETATM   24  C   UNL     1       5.947   2.377  -2.649  1.00  0.00           C  
HETATM   25  C   UNL     1       4.993   3.360  -1.965  1.00  0.00           C  
HETATM   26  C   UNL     1       4.884   1.688   0.215  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.197  -2.528   0.346  1.00  0.00           N  
HETATM   28  N   UNL     1       2.149  -2.994   0.953  1.00  0.00           N  
HETATM   29  N   UNL     1       3.667  -1.371   0.278  1.00  0.00           N  
HETATM   30  N   UNL     1       0.178  -0.615  -0.659  1.00  0.00           N  
HETATM   31  N   UNL     1       3.019   0.567  -0.900  1.00  0.00           N  
HETATM   32  O   UNL     1       5.627  -2.897   1.417  1.00  0.00           O  
HETATM   33  O   UNL     1       4.225  -4.480   2.087  1.00  0.00           O  
HETATM   34  S   UNL     1      -6.691  -1.131  -1.159  1.00  0.00           S  
HETATM   35 CL   UNL     1      -1.862   4.885   2.457  1.00  0.00          Cl  
HETATM   36  H   UNL     1      -3.329   3.093   0.798  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.826   0.477  -2.141  1.00  0.00           H  
HETATM   38  H   UNL     1       0.868   0.952  -1.870  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.944  -1.064  -2.676  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.504  -1.756   2.174  1.00  0.00           H  
HETATM   41  H   UNL     1       3.814   1.776  -3.046  1.00  0.00           H  
HETATM   42  H   UNL     1       5.036   0.095  -1.226  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.754  -1.481   1.103  1.00  0.00           H  
HETATM   44  H   UNL     1       1.479   2.260   0.129  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.588   1.353  -0.779  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.324  -0.883  -3.148  1.00  0.00           H  
HETATM   47  H   UNL     1       0.740   4.008   1.698  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.785  -1.747   1.468  1.00  0.00           H  
HETATM   49  H   UNL     1       6.784   1.997  -2.062  1.00  0.00           H  
HETATM   50  H   UNL     1       6.145   2.523  -3.711  1.00  0.00           H  
HETATM   51  H   UNL     1       4.564   4.153  -2.577  1.00  0.00           H  
HETATM   52  H   UNL     1       5.203   3.626  -0.929  1.00  0.00           H  
HETATM   53  H   UNL     1       4.796   1.011   1.065  1.00  0.00           H  
HETATM   54  H   UNL     1       5.925   1.992   0.100  1.00  0.00           H  
HETATM   55  H   UNL     1       4.265   2.569   0.387  1.00  0.00           H  
HETATM   56  H   UNL     1       2.307   1.135  -1.234  1.00  0.00           H  
HETATM   57  H   UNL     1       4.977  -4.957   2.463  1.00  0.00           H  
CONECT    1   21   15   15   36                                       
CONECT    2   14   14   15    3                                       
CONECT    3    2   30   37   38                                       
CONECT    4   31   29   29    5                                       
CONECT    5    4   30    6    6                                       
CONECT    6    5    5   28   27                                       
CONECT    7   29   23   28   28                                       
CONECT    8    9   22   18   18                                       
CONECT    9   16   16    8   39                                       
CONECT   10   19   13   13   40                                       
CONECT   11   25   24   12   41                                       
CONECT   12   11   26   31   42                                       
CONECT   13   34   10   10   43                                       
CONECT   14   17    2    2   44                                       
CONECT   15    1    1    2   45                                       
CONECT   16    9    9   20   46                                       
CONECT   17   21   21   14   47                                       
CONECT   18    8    8   19   48                                       
CONECT   19   20   20   18   10                                       
CONECT   20   16   34   19   19                                       
CONECT   21   35   17   17    1                                       
CONECT   22   30   27   27    8                                       
CONECT   23   32   32    7   33                                       
CONECT   24   25   11   49   50                                       
CONECT   25   24   11   51   52                                       
CONECT   26   12   53   54   55                                       
CONECT   27    6   22   22                                            
CONECT   28    7    7    6                                            
CONECT   29    4    4    7                                            
CONECT   30    3    5   22                                            
CONECT   31   12    4   56                                            
CONECT   32   23   23                                                 
CONECT   33   23   57                                                 
CONECT   34   20   13                                                 
CONECT   35   21                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   31                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
