COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.574  -1.307  -0.329  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.323  -0.169   0.022  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.235   0.537   0.719  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.530   0.030   1.195  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.381  -0.384   0.023  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.949  -0.283  -1.106  1.00  0.00           O  
HETATM    7  N   UNL     1      -7.623  -0.868   0.228  1.00  0.00           N  
HETATM    8  C   UNL     1      -8.450  -1.271  -0.912  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.144  -0.991   1.592  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.218   1.179   1.963  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.029   2.092   2.361  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.097   1.945   1.135  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.027   0.430  -0.307  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.979  -0.171  -0.886  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.046  -1.624  -1.278  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.521  -1.792  -2.705  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.189  -2.452  -0.319  1.00  0.00           C  
HETATM   18  N   UNL     1       0.149   0.560  -1.113  1.00  0.00           N  
HETATM   19  C   UNL     1       1.493   0.317  -1.703  1.00  0.00           C  
HETATM   20  C   UNL     1       2.235  -0.733  -0.916  1.00  0.00           C  
HETATM   21  C   UNL     1       2.991  -1.684  -1.576  1.00  0.00           C  
HETATM   22  C   UNL     1       3.672  -2.647  -0.855  1.00  0.00           C  
HETATM   23  C   UNL     1       2.164  -0.740   0.464  1.00  0.00           C  
HETATM   24  C   UNL     1       2.845  -1.702   1.186  1.00  0.00           C  
HETATM   25  C   UNL     1       3.597  -2.658   0.527  1.00  0.00           C  
HETATM   26 CL   UNL     1       4.452  -3.867   1.433  1.00  0.00          Cl  
HETATM   27  S   UNL     1      -1.520   2.105  -0.030  1.00  0.00           S  
HETATM   28  C   UNL     1       0.103   1.870  -0.718  1.00  0.00           C  
HETATM   29  N   UNL     1       1.198   2.542  -0.948  1.00  0.00           N  
HETATM   30  C   UNL     1       2.197   1.679  -1.584  1.00  0.00           C  
HETATM   31  C   UNL     1       2.566   2.214  -2.969  1.00  0.00           C  
HETATM   32  C   UNL     1       3.424   1.564  -0.717  1.00  0.00           C  
HETATM   33  C   UNL     1       4.579   0.999  -1.225  1.00  0.00           C  
HETATM   34  C   UNL     1       5.705   0.894  -0.430  1.00  0.00           C  
HETATM   35  C   UNL     1       3.397   2.030   0.584  1.00  0.00           C  
HETATM   36  C   UNL     1       4.522   1.926   1.380  1.00  0.00           C  
HETATM   37  C   UNL     1       5.676   1.355   0.874  1.00  0.00           C  
HETATM   38 CL   UNL     1       7.090   1.223   1.873  1.00  0.00          Cl  
HETATM   39  H   UNL     1      -5.374  -0.819   1.861  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.274  -2.323  -1.135  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.502  -1.122  -0.668  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.189  -0.667  -1.781  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.392  -0.645   2.301  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.045  -0.384   1.692  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.385  -2.034   1.796  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.914   1.712   1.316  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.727   0.800   2.849  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.353   3.125   2.486  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.541   1.725   3.265  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.065   2.158   1.414  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.419   2.610   0.335  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.080  -1.966  -1.229  1.00  0.00           H  
HETATM   53  H   UNL     1       0.513  -1.449  -2.755  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.570  -2.843  -2.989  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.132  -1.202  -3.389  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.445  -2.197   0.710  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.375  -3.512  -0.488  1.00  0.00           H  
HETATM   58  H   UNL     1       0.865  -2.235  -0.495  1.00  0.00           H  
HETATM   59  H   UNL     1       1.404   0.022  -2.749  1.00  0.00           H  
HETATM   60  H   UNL     1       3.049  -1.676  -2.654  1.00  0.00           H  
HETATM   61  H   UNL     1       4.261  -3.391  -1.370  1.00  0.00           H  
HETATM   62  H   UNL     1       1.577   0.006   0.979  1.00  0.00           H  
HETATM   63  H   UNL     1       2.790  -1.708   2.265  1.00  0.00           H  
HETATM   64  H   UNL     1       1.661   2.334  -3.565  1.00  0.00           H  
HETATM   65  H   UNL     1       3.063   3.178  -2.865  1.00  0.00           H  
HETATM   66  H   UNL     1       3.236   1.511  -3.464  1.00  0.00           H  
HETATM   67  H   UNL     1       4.602   0.640  -2.243  1.00  0.00           H  
HETATM   68  H   UNL     1       6.607   0.452  -0.827  1.00  0.00           H  
HETATM   69  H   UNL     1       2.495   2.475   0.979  1.00  0.00           H  
HETATM   70  H   UNL     1       4.500   2.290   2.396  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    4    2   12                                            
CONECT    4    5   10    3   39                                       
CONECT    5    6    6    7    4                                       
CONECT    6    5    5                                                 
CONECT    7    5    9    8                                            
CONECT    8    7   40   41   42                                       
CONECT    9    7   43   44   45                                       
CONECT   10    4   11   46   47                                       
CONECT   11   10   12   48   49                                       
CONECT   12    3   11   50   51                                       
CONECT   13    2   27   14   14                                       
CONECT   14   13   13   15   18                                       
CONECT   15   16   14   17   52                                       
CONECT   16   15   53   54   55                                       
CONECT   17   15   56   57   58                                       
CONECT   18   14   28   19                                            
CONECT   19   18   30   20   59                                       
CONECT   20   19   23   23   21                                       
CONECT   21   20   22   22   60                                       
CONECT   22   21   21   25   61                                       
CONECT   23   20   20   24   62                                       
CONECT   24   23   25   25   63                                       
CONECT   25   24   24   22   26                                       
CONECT   26   25                                                      
CONECT   27   13   28                                                 
CONECT   28   27   18   29   29                                       
CONECT   29   28   28   30                                            
CONECT   30   29   19   31   32                                       
CONECT   31   30   64   65   66                                       
CONECT   32   30   35   35   33                                       
CONECT   33   32   34   34   67                                       
CONECT   34   33   33   37   68                                       
CONECT   35   32   32   36   69                                       
CONECT   36   35   37   37   70                                       
CONECT   37   36   36   34   38                                       
CONECT   38   37                                                      
CONECT   39    4                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
