COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.737   0.404   1.718  1.00  0.00           C  
HETATM    2  C   UNL     1       4.556  -0.214   0.519  1.00  0.00           C  
HETATM    3  C   UNL     1       4.229   0.517  -0.622  1.00  0.00           C  
HETATM    4  C   UNL     1       4.083   1.870  -0.569  1.00  0.00           C  
HETATM    5  C   UNL     1       4.262   2.541   0.651  1.00  0.00           C  
HETATM    6  C   UNL     1       4.119   3.942   0.743  1.00  0.00           C  
HETATM    7  C   UNL     1       4.304   4.562   1.961  1.00  0.00           C  
HETATM    8  C   UNL     1       4.630   3.822   3.094  1.00  0.00           C  
HETATM    9  C   UNL     1       4.774   2.470   3.033  1.00  0.00           C  
HETATM   10  C   UNL     1       4.594   1.799   1.811  1.00  0.00           C  
HETATM   11  N   UNL     1       3.794   4.692  -0.385  1.00  0.00           N  
HETATM   12  C   UNL     1       2.529   5.414  -0.191  1.00  0.00           C  
HETATM   13  C   UNL     1       4.880   5.617  -0.733  1.00  0.00           C  
HETATM   14  S   UNL     1       4.737  -1.963   0.407  1.00  0.00           S  
HETATM   15  O   UNL     1       5.043  -2.248  -0.951  1.00  0.00           O  
HETATM   16  O   UNL     1       5.572  -2.350   1.490  1.00  0.00           O  
HETATM   17  N   UNL     1       3.250  -2.630   0.701  1.00  0.00           N  
HETATM   18  C   UNL     1       2.143  -2.389  -0.227  1.00  0.00           C  
HETATM   19  C   UNL     1       1.073  -1.585   0.465  1.00  0.00           C  
HETATM   20  O   UNL     1       1.221  -1.245   1.619  1.00  0.00           O  
HETATM   21  C   UNL     1       1.560  -3.728  -0.683  1.00  0.00           C  
HETATM   22  C   UNL     1       2.605  -4.489  -1.501  1.00  0.00           C  
HETATM   23  C   UNL     1       2.071  -5.852  -1.858  1.00  0.00           C  
HETATM   24  O   UNL     1       0.966  -6.181  -1.495  1.00  0.00           O  
HETATM   25  O   UNL     1       2.821  -6.699  -2.579  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.048  -1.242  -0.200  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.088  -0.460   0.472  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.227  -0.212  -0.483  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.175  -0.647  -1.614  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.228   2.704  -1.517  1.00  0.00           O  
HETATM   31  N   UNL     1      -3.304   0.492  -0.081  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.411   0.732  -1.009  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.109   1.948  -1.847  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.699   0.965  -0.218  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.073  -0.313   0.536  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.361  -0.080   1.328  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.719  -1.304   2.049  1.00  0.00           N  
HETATM   38  C   UNL     1      -8.842  -1.334   2.830  1.00  0.00           C  
HETATM   39  N   UNL     1      -9.167  -2.447   3.486  1.00  0.00           N1+
HETATM   40  N   UNL     1      -9.610  -0.250   2.934  1.00  0.00           N  
HETATM   41  C   UNL     1      -4.908   2.219  -3.096  1.00  0.00           C  
HETATM   42 CL   UNL     1      -4.313   3.735  -3.872  1.00  0.00          Cl  
HETATM   43  H   UNL     1       4.986  -0.176   2.595  1.00  0.00           H  
HETATM   44  H   UNL     1       4.091   0.003  -1.561  1.00  0.00           H  
HETATM   45  H   UNL     1       3.830   2.423  -1.461  1.00  0.00           H  
HETATM   46  H   UNL     1       4.196   5.634   2.036  1.00  0.00           H  
HETATM   47  H   UNL     1       4.771   4.329   4.037  1.00  0.00           H  
HETATM   48  H   UNL     1       5.028   1.913   3.922  1.00  0.00           H  
HETATM   49  H   UNL     1       2.622   6.087   0.661  1.00  0.00           H  
HETATM   50  H   UNL     1       2.299   5.991  -1.086  1.00  0.00           H  
HETATM   51  H   UNL     1       1.728   4.699  -0.003  1.00  0.00           H  
HETATM   52  H   UNL     1       5.788   5.050  -0.940  1.00  0.00           H  
HETATM   53  H   UNL     1       4.600   6.190  -1.617  1.00  0.00           H  
HETATM   54  H   UNL     1       5.059   6.298   0.100  1.00  0.00           H  
HETATM   55  H   UNL     1       3.112  -3.179   1.489  1.00  0.00           H  
HETATM   56  H   UNL     1       2.509  -1.839  -1.094  1.00  0.00           H  
HETATM   57  H   UNL     1       1.281  -4.319   0.190  1.00  0.00           H  
HETATM   58  H   UNL     1       0.677  -3.550  -1.297  1.00  0.00           H  
HETATM   59  H   UNL     1       2.826  -3.934  -2.413  1.00  0.00           H  
HETATM   60  H   UNL     1       3.517  -4.598  -0.913  1.00  0.00           H  
HETATM   61  H   UNL     1       2.435  -7.562  -2.783  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.166  -1.513  -1.124  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.454  -1.010   1.339  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.673   0.494   0.797  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.345   0.839   0.824  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.536  -0.135  -1.658  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.546   1.775   0.495  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.504   1.231  -0.903  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.226  -1.123  -0.177  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.269  -0.579   1.221  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.208   0.730   2.040  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.166   0.186   0.642  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.160  -2.093   1.973  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.964  -2.468   4.040  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.373   0.560   2.457  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.406  -0.272   3.488  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.608  -3.235   3.410  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.792   1.387  -3.789  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.960   2.333  -2.837  1.00  0.00           H  
CONECT    1    2    2   10   43                                       
CONECT    2    1    1    3   14                                       
CONECT    3    2    4    4   44                                       
CONECT    4    3    3    5   45                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   11                                       
CONECT    7    6    8    8   46                                       
CONECT    8    7    7    9   47                                       
CONECT    9    8   10   10   48                                       
CONECT   10    1    5    9    9                                       
CONECT   11    6   12   13                                            
CONECT   12   11   49   50   51                                       
CONECT   13   11   52   53   54                                       
CONECT   14    2   15   15   17                                       
CONECT   14   16   16                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18   55                                            
CONECT   18   17   19   21   56                                       
CONECT   19   18   20   20   26                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   57   58                                       
CONECT   22   21   23   59   60                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   61                                                 
CONECT   26   19   27   62                                            
CONECT   27   26   28   63   64                                       
CONECT   28   27   29   29   31                                       
CONECT   29   28   28                                                 
CONECT   30   33   33                                                 
CONECT   31   28   32   65                                            
CONECT   32   31   33   34   66                                       
CONECT   33   32   30   30   41                                       
CONECT   34   32   35   67   68                                       
CONECT   35   34   36   69   70                                       
CONECT   36   35   37   71   72                                       
CONECT   37   36   38   73                                            
CONECT   38   37   40   39   39                                       
CONECT   39   38   38   74   77                                       
CONECT   40   38   75   76                                            
CONECT   41   33   78   79   42                                       
CONECT   42   41                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   39                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
