COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.683  -1.120   2.468  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.116  -1.592   1.079  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.070  -2.441   0.503  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.264  -3.840   0.106  1.00  0.00           C  
HETATM    5  C   UNL     1       0.157  -4.434  -0.020  1.00  0.00           C  
HETATM    6  C   UNL     1       1.000  -3.172  -0.318  1.00  0.00           C  
HETATM    7  N   UNL     1       2.309  -3.265   0.333  1.00  0.00           N  
HETATM    8  S   UNL     1       3.648  -2.631  -0.405  1.00  0.00           S  
HETATM    9  O   UNL     1       4.737  -2.847   0.482  1.00  0.00           O  
HETATM   10  O   UNL     1       3.631  -3.106  -1.744  1.00  0.00           O  
HETATM   11  C   UNL     1       3.418  -0.886  -0.494  1.00  0.00           C  
HETATM   12  C   UNL     1       2.787  -0.333  -1.607  1.00  0.00           C  
HETATM   13  C   UNL     1       2.593   1.010  -1.707  1.00  0.00           C  
HETATM   14  C   UNL     1       3.035   1.855  -0.674  1.00  0.00           C  
HETATM   15  C   UNL     1       2.852   3.247  -0.741  1.00  0.00           C  
HETATM   16  C   UNL     1       3.293   4.034   0.279  1.00  0.00           C  
HETATM   17 CL   UNL     1       3.065   5.753   0.193  1.00  0.00          Cl  
HETATM   18  C   UNL     1       3.924   3.480   1.392  1.00  0.00           C  
HETATM   19  C   UNL     1       4.119   2.137   1.491  1.00  0.00           C  
HETATM   20  C   UNL     1       3.677   1.293   0.458  1.00  0.00           C  
HETATM   21  C   UNL     1       3.855  -0.100   0.527  1.00  0.00           C  
HETATM   22  C   UNL     1       0.190  -2.036   0.265  1.00  0.00           C  
HETATM   23  O   UNL     1       0.615  -0.923   0.489  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.339  -0.397   0.189  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.469  -0.040  -0.576  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.506   0.276   0.244  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.737   1.360  -0.707  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.916   1.005  -1.619  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.169   1.313  -0.916  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.976   2.460  -1.339  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.579   0.557   0.106  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.619   0.822   0.672  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.757  -0.628   0.562  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.493  -0.111   1.250  1.00  0.00           C  
HETATM   35  H   UNL     1      -1.427  -1.984   3.082  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.814  -0.469   2.376  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.500  -0.572   2.937  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.042  -2.162   1.161  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.829  -4.374   0.870  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.781  -3.892  -0.852  1.00  0.00           H  
HETATM   41  H   UNL     1       0.469  -4.900   0.914  1.00  0.00           H  
HETATM   42  H   UNL     1       0.211  -5.144  -0.846  1.00  0.00           H  
HETATM   43  H   UNL     1       1.119  -3.038  -1.393  1.00  0.00           H  
HETATM   44  H   UNL     1       2.391  -3.698   1.198  1.00  0.00           H  
HETATM   45  H   UNL     1       2.447  -0.980  -2.402  1.00  0.00           H  
HETATM   46  H   UNL     1       2.102   1.425  -2.575  1.00  0.00           H  
HETATM   47  H   UNL     1       2.365   3.690  -1.597  1.00  0.00           H  
HETATM   48  H   UNL     1       4.264   4.127   2.188  1.00  0.00           H  
HETATM   49  H   UNL     1       4.610   1.721   2.358  1.00  0.00           H  
HETATM   50  H   UNL     1       4.339  -0.543   1.385  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.962   2.278  -0.164  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.843   1.508  -1.313  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.858   1.592  -2.536  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.883  -0.057  -1.862  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.691   2.141  -2.098  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.512   2.864  -0.481  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.324   3.229  -1.755  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.336  -1.229   1.263  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.482  -1.233  -0.302  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.078  -0.895   1.883  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.741   0.756   1.861  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2   24    1    3   38                                       
CONECT    3    2    4   22                                            
CONECT    4    3    5   39   40                                       
CONECT    5    4    6   41   42                                       
CONECT    6   22    5    7   43                                       
CONECT    7    6    8   44                                            
CONECT    8    7   10   10   11                                       
CONECT    8    9    9                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11   12    8   21   21                                       
CONECT   12   13   13   11   45                                       
CONECT   13   12   12   14   46                                       
CONECT   14   13   15   15   20                                       
CONECT   15   14   14   16   47                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16   19   48                                       
CONECT   19   20   20   18   49                                       
CONECT   20   14   21   19   19                                       
CONECT   21   11   11   20   50                                       
CONECT   22    3   23   23    6                                       
CONECT   23   22   22                                                 
CONECT   24   26   25   25    2                                       
CONECT   25   24   24                                                 
CONECT   26   34   27   24                                            
CONECT   27   28   26   51   52                                       
CONECT   28   29   27   53   54                                       
CONECT   29   31   28   30                                            
CONECT   30   29   55   56   57                                       
CONECT   31   33   32   32   29                                       
CONECT   32   31   31                                                 
CONECT   33   34   31   58   59                                       
CONECT   34   33   26   60   61                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
