COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.231   1.020  -4.271  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.240   0.459  -3.550  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.141  -0.012  -6.282  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.171  -0.569  -5.505  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.209  -0.330  -4.166  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.155   0.791  -5.656  1.00  0.00           C  
HETATM    7 CL   UNL     1       0.029   0.041 -10.099  1.00  0.00          Cl  
HETATM    8  C   UNL     1       0.874   1.349  -6.432  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.069  -0.236  -7.667  1.00  0.00           C  
HETATM   10  C   UNL     1       0.912   1.111  -7.771  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.056   0.320  -8.388  1.00  0.00           C  
HETATM   12  S   UNL     1      -1.327   0.743  -1.813  1.00  0.00           S  
HETATM   13  O   UNL     1      -2.684   0.524  -1.454  1.00  0.00           O  
HETATM   14  C   UNL     1       1.174  -0.391   0.723  1.00  0.00           C  
HETATM   15  C   UNL     1       2.642  -0.562   1.019  1.00  0.00           C  
HETATM   16  O   UNL     1       3.406   0.512   1.269  1.00  0.00           O  
HETATM   17  C   UNL     1       4.820   0.346   1.555  1.00  0.00           C  
HETATM   18  C   UNL     1       5.454   1.717   1.802  1.00  0.00           C  
HETATM   19  O   UNL     1       3.130  -1.667   1.032  1.00  0.00           O  
HETATM   20  C   UNL     1       0.972  -0.313  -0.791  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.465  -0.461  -1.071  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.611  -2.099   0.704  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.192  -2.976   1.307  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.105  -1.721  -0.665  1.00  0.00           C  
HETATM   25  N   UNL     1       0.437  -1.514   1.285  1.00  0.00           N  
HETATM   26  O   UNL     1      -0.597   1.939  -1.580  1.00  0.00           O  
HETATM   27  C   UNL     1       0.878  -2.039   2.580  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.256   2.548   8.578  1.00  0.00           C  
HETATM   29  N   UNL     1       0.051   0.068   6.207  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.672   0.654   7.241  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.519   2.006   7.546  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.346  -1.342   6.161  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.575  -0.095   7.996  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.410   0.693   4.963  1.00  0.00           C  
HETATM   35  C   UNL     1       0.044  -1.408   3.696  1.00  0.00           C  
HETATM   36  C   UNL     1       0.407  -2.055   5.036  1.00  0.00           C  
HETATM   37  N   UNL     1      -2.095   1.804   9.274  1.00  0.00           N  
HETATM   38  C   UNL     1      -2.268   0.521   9.016  1.00  0.00           C  
HETATM   39  C   UNL     1       0.340   0.092   3.773  1.00  0.00           C  
HETATM   40  H   UNL     1       0.509   1.634  -3.781  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.928  -1.185  -5.968  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.002  -0.760  -3.571  1.00  0.00           H  
HETATM   43  H   UNL     1       1.631   1.963  -5.968  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.812  -0.847  -8.157  1.00  0.00           H  
HETATM   45  H   UNL     1       1.705   1.541  -8.365  1.00  0.00           H  
HETATM   46  H   UNL     1       0.821   0.533   1.180  1.00  0.00           H  
HETATM   47  H   UNL     1       5.308  -0.131   0.706  1.00  0.00           H  
HETATM   48  H   UNL     1       4.941  -0.274   2.442  1.00  0.00           H  
HETATM   49  H   UNL     1       6.515   1.593   2.016  1.00  0.00           H  
HETATM   50  H   UNL     1       5.332   2.338   0.915  1.00  0.00           H  
HETATM   51  H   UNL     1       4.965   2.196   2.651  1.00  0.00           H  
HETATM   52  H   UNL     1       1.321   0.651  -1.159  1.00  0.00           H  
HETATM   53  H   UNL     1       1.526  -1.116  -1.278  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.187  -1.589  -0.639  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.849  -2.506  -1.376  1.00  0.00           H  
HETATM   56  H   UNL     1       0.749  -3.121   2.596  1.00  0.00           H  
HETATM   57  H   UNL     1       1.930  -1.796   2.731  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.143   3.594   8.821  1.00  0.00           H  
HETATM   59  H   UNL     1       0.166   2.620   6.981  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.418  -1.411   5.978  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.110  -1.817   7.113  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.721  -1.145   7.791  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.479   0.517   4.844  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.222   1.766   5.005  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.015  -1.563   3.492  1.00  0.00           H  
HETATM   66  H   UNL     1       0.126  -3.108   5.020  1.00  0.00           H  
HETATM   67  H   UNL     1       1.481  -1.966   5.204  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.966  -0.052   9.609  1.00  0.00           H  
HETATM   69  H   UNL     1       1.411   0.246   3.902  1.00  0.00           H  
HETATM   70  H   UNL     1       0.010   0.575   2.853  1.00  0.00           H  
CONECT    1    2    6    6   40                                       
CONECT    2    1    5    5   12                                       
CONECT    3    4    4    6    9                                       
CONECT    4    3    3    5   41                                       
CONECT    5    2    2    4   42                                       
CONECT    6    1    1    3    8                                       
CONECT    7   11                                                      
CONECT    8    6   10   10   43                                       
CONECT    9    3   11   11   44                                       
CONECT   10    8    8   11   45                                       
CONECT   11    7    9    9   10                                       
CONECT   12    2   13   13   21                                       
CONECT   12   26   26                                                 
CONECT   13   12   12                                                 
CONECT   14   15   20   25   46                                       
CONECT   15   14   16   19   19                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   47   48                                       
CONECT   18   17   49   50   51                                       
CONECT   19   15   15                                                 
CONECT   20   14   21   52   53                                       
CONECT   21   12   20   24                                            
CONECT   22   23   23   24   25                                       
CONECT   23   22   22                                                 
CONECT   24   21   22   54   55                                       
CONECT   25   14   22   27                                            
CONECT   26   12   12                                                 
CONECT   27   25   35   56   57                                       
CONECT   28   31   31   37   58                                       
CONECT   29   30   32   34                                            
CONECT   30   29   31   33   33                                       
CONECT   31   28   28   30   59                                       
CONECT   32   29   36   60   61                                       
CONECT   33   30   30   38   62                                       
CONECT   34   29   39   63   64                                       
CONECT   35   27   36   39   65                                       
CONECT   36   32   35   66   67                                       
CONECT   37   28   38   38                                            
CONECT   38   33   37   37   68                                       
CONECT   39   34   35   69   70                                       
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
