COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.946  -3.100   1.312  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.017  -2.999   0.295  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.701  -1.755  -0.243  1.00  0.00           C  
HETATM    4  C   UNL     1       0.297  -1.651  -1.334  1.00  0.00           C  
HETATM    5  C   UNL     1       0.051  -2.220  -2.582  1.00  0.00           C  
HETATM    6  C   UNL     1       1.008  -2.101  -3.574  1.00  0.00           C  
HETATM    7  C   UNL     1       3.634   0.281  -0.555  1.00  0.00           C  
HETATM    8  C   UNL     1       4.206   2.012   1.127  1.00  0.00           C  
HETATM    9  C   UNL     1       5.756   0.096   0.715  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.772   0.670   1.575  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.373   1.505  -0.718  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.194   0.961  -1.787  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.596   2.197  -1.489  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.909   1.742  -0.842  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.115   2.333   1.372  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.770   2.813   0.816  1.00  0.00           C  
HETATM   17 CL   UNL     1      -2.333  -4.653   1.985  1.00  0.00          Cl  
HETATM   18  N   UNL     1       2.136  -1.467  -3.365  1.00  0.00           N  
HETATM   19  C   UNL     1       2.435  -0.895  -2.182  1.00  0.00           C  
HETATM   20  C   UNL     1       3.631  -0.165  -1.797  1.00  0.00           C  
HETATM   21  S   UNL     1       2.150  -0.141   0.278  1.00  0.00           S  
HETATM   22  C   UNL     1       1.515  -0.970  -1.135  1.00  0.00           C  
HETATM   23  C   UNL     1       4.764   1.063   0.064  1.00  0.00           C  
HETATM   24  O   UNL     1       5.431   1.820  -0.948  1.00  0.00           O  
HETATM   25  O   UNL     1       5.277   2.753   1.714  1.00  0.00           O  
HETATM   26 CL   UNL     1       7.108   1.031   1.456  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -1.328  -0.599   0.247  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.166   0.702  -0.117  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.297   1.466   0.337  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.262  -0.725   1.265  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.563  -1.959   1.799  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.533   2.146  -0.473  1.00  0.00           N  
HETATM   33  N   UNL     1      -7.161   2.544   0.362  1.00  0.00           N  
HETATM   34  H   UNL     1      -0.535  -3.888  -0.083  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.873  -2.746  -2.772  1.00  0.00           H  
HETATM   36  H   UNL     1       0.822  -2.540  -4.543  1.00  0.00           H  
HETATM   37  H   UNL     1       3.499   2.700   0.663  1.00  0.00           H  
HETATM   38  H   UNL     1       3.697   1.434   1.899  1.00  0.00           H  
HETATM   39  H   UNL     1       5.247  -0.481   1.487  1.00  0.00           H  
HETATM   40  H   UNL     1       6.154  -0.580  -0.042  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.317   1.058   2.486  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.860   0.679   1.650  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.345   1.532  -2.315  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.703   3.217  -1.856  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.728   1.878  -1.548  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.834   0.689  -0.569  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.051   1.273   1.614  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.359   2.898   2.272  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.798   3.892   0.670  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.973   2.558   1.515  1.00  0.00           H  
HETATM   51  H   UNL     1       4.454   0.000  -2.476  1.00  0.00           H  
HETATM   52  H   UNL     1       4.861   2.454  -1.403  1.00  0.00           H  
HETATM   53  H   UNL     1       4.996   3.376   2.398  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.997   2.475   0.618  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.285  -2.037   2.599  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.251   3.522   0.133  1.00  0.00           H  
CONECT    1   31   17    2    2                                       
CONECT    2    1    1    3   34                                       
CONECT    3   27   27    2    4                                       
CONECT    4    3    5    5   22                                       
CONECT    5    4    4    6   35                                       
CONECT    6    5   18   18   36                                       
CONECT    7   21   20   20   23                                       
CONECT    8   23   25   37   38                                       
CONECT    9   23   26   39   40                                       
CONECT   10   29   30   41   42                                       
CONECT   11   12   12   29   32                                       
CONECT   12   11   11                                                 
CONECT   13   32   14   43   44                                       
CONECT   14   13   33   45   46                                       
CONECT   15   16   33   47   48                                       
CONECT   16   32   15   49   50                                       
CONECT   17    1                                                      
CONECT   18    6    6   19                                            
CONECT   19   22   22   18   20                                       
CONECT   20   19    7    7   51                                       
CONECT   21   22    7                                                 
CONECT   22    4   21   19   19                                       
CONECT   23    7   24    8    9                                       
CONECT   24   23   52                                                 
CONECT   25    8   53                                                 
CONECT   26    9                                                      
CONECT   27   30   28    3    3                                       
CONECT   28   29   27                                                 
CONECT   29   10   11   28   54                                       
CONECT   30   10   31   31   27                                       
CONECT   31   30   30    1   55                                       
CONECT   32   11   13   16                                            
CONECT   33   14   15   56                                            
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   20                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   33                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
