COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.867   2.620  -1.098  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.375   1.726  -0.022  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.122   1.018  -0.468  1.00  0.00           C  
HETATM    4  O   UNL     1       0.149   0.952  -1.648  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.497   0.704   0.235  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.609   1.055  -0.708  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.353   2.546  -1.043  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.977   0.912  -0.021  1.00  0.00           C  
HETATM    9  C   UNL     1       4.744  -0.138  -0.432  1.00  0.00           C  
HETATM   10  C   UNL     1       5.074   1.309  -0.055  1.00  0.00           C  
HETATM   11  C   UNL     1       3.796   2.010   0.415  1.00  0.00           C  
HETATM   12  C   UNL     1       3.198   1.226   1.587  1.00  0.00           C  
HETATM   13  C   UNL     1       2.940  -0.217   1.147  1.00  0.00           C  
HETATM   14  C   UNL     1       1.916  -0.229   0.010  1.00  0.00           C  
HETATM   15  C   UNL     1       1.581  -1.675  -0.359  1.00  0.00           C  
HETATM   16  C   UNL     1       0.556  -1.687  -1.496  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.038  -1.641   0.199  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.211  -1.233   1.045  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.251  -0.530   0.178  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.623  -0.681   0.838  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.708  -0.185  -0.121  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.736  -1.076  -1.364  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.068  -0.240   0.577  1.00  0.00           C  
HETATM   24  C   UNL     1       5.646  -2.557  -1.612  1.00  0.00           C  
HETATM   25  N   UNL     1       0.697   0.459   0.444  1.00  0.00           N  
HETATM   26  O   UNL     1       4.163  -0.801   0.692  1.00  0.00           O  
HETATM   27  O   UNL     1       1.966   1.830   1.988  1.00  0.00           O  
HETATM   28  O   UNL     1       2.854   2.059  -0.659  1.00  0.00           O  
HETATM   29  O   UNL     1       6.039   1.320   0.998  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.999  -0.622   0.249  1.00  0.00           O  
HETATM   31  S   UNL     1       6.264  -0.997  -0.923  1.00  0.00           S  
HETATM   32 CL   UNL     1       0.893  -2.519   1.078  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -1.523   2.324  -1.999  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.179   2.302   0.883  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.875   0.909   1.237  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.564   0.433  -1.602  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.742   3.191  -0.256  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.788   2.806  -2.008  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.958   1.419   0.943  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.752   1.350  -0.651  1.00  0.00           H  
HETATM   41  H   UNL     1       4.038  -0.145  -1.263  1.00  0.00           H  
HETATM   42  H   UNL     1       5.476   1.829  -0.925  1.00  0.00           H  
HETATM   43  H   UNL     1       4.034   3.024   0.738  1.00  0.00           H  
HETATM   44  H   UNL     1       3.897   1.232   2.424  1.00  0.00           H  
HETATM   45  H   UNL     1       2.555  -0.791   1.990  1.00  0.00           H  
HETATM   46  H   UNL     1       2.331   0.281  -0.858  1.00  0.00           H  
HETATM   47  H   UNL     1       2.487  -2.187  -0.682  1.00  0.00           H  
HETATM   48  H   UNL     1       0.972  -1.177  -2.365  1.00  0.00           H  
HETATM   49  H   UNL     1       0.318  -2.717  -1.759  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.350  -1.175  -1.173  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.637  -2.584   0.571  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.365  -1.770  -0.832  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.657  -2.119   1.498  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.875  -0.555   1.829  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.280  -1.017  -0.797  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.799  -1.731   1.074  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.652  -0.093   1.755  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.491   0.842  -0.414  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.576  -0.790  -1.997  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.806  -0.955  -1.919  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.846  -2.118  -1.062  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.048   0.395   1.463  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.841   0.113  -0.106  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.285  -1.267   0.871  1.00  0.00           H  
HETATM   65  H   UNL     1       6.487  -3.165  -1.946  1.00  0.00           H  
HETATM   66  H   UNL     1       5.088  -3.097  -0.847  1.00  0.00           H  
HETATM   67  H   UNL     1       4.992  -2.347  -2.459  1.00  0.00           H  
HETATM   68  H   UNL     1       0.480   0.512   1.388  1.00  0.00           H  
HETATM   69  H   UNL     1       2.055   2.748   2.280  1.00  0.00           H  
HETATM   70  H   UNL     1       3.171   2.537  -1.438  1.00  0.00           H  
HETATM   71  H   UNL     1       6.874   0.887   0.771  1.00  0.00           H  
CONECT    1    7    2   33                                            
CONECT    2    1    3    5   34                                       
CONECT    3    4    4   25    2                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   30   35                                       
CONECT    6    7    5    8   36                                       
CONECT    7    1    6   37   38                                       
CONECT    8    6   19   39   40                                       
CONECT    9   26   10   31   41                                       
CONECT   10    9   11   29   42                                       
CONECT   11   12   28   10   43                                       
CONECT   12   27   13   11   44                                       
CONECT   13   14   26   12   45                                       
CONECT   14   15   25   13   46                                       
CONECT   15   16   14   32   47                                       
CONECT   16   15   48   49   50                                       
CONECT   17   30   18   51   52                                       
CONECT   18   19   17   53   54                                       
CONECT   19    8   18   20   55                                       
CONECT   20   19   21   56   57                                       
CONECT   21   22   20   23   58                                       
CONECT   22   21   59   60   61                                       
CONECT   23   21   62   63   64                                       
CONECT   24   31   65   66   67                                       
CONECT   25    3   14   68                                            
CONECT   26   13    9                                                 
CONECT   27   12   69                                                 
CONECT   28   11   70                                                 
CONECT   29   10   71                                                 
CONECT   30    5   17                                                 
CONECT   31    9   24                                                 
CONECT   32   15                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
