COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.451  -0.204  -0.100  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.460  -1.043  -0.909  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.448  -0.559  -2.360  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.152  -0.905  -0.350  1.00  0.00           O  
HETATM    5  N   UNL     1      -6.665   0.425  -0.343  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.483   0.684   0.141  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.695  -0.392   0.787  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.103  -1.536   0.774  1.00  0.00           O  
HETATM    9  N   UNL     1      -3.525  -0.101   1.390  1.00  0.00           N  
HETATM   10  CA  UNL     1      -2.799  -1.142   2.122  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.335  -1.234   3.527  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.230  -0.505   3.882  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.311  -0.791   2.165  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.816  -0.584   0.797  1.00  0.00           N  
HETATM   15  C   UNL     1       0.599  -0.164   0.804  1.00  0.00           C  
HETATM   16  C   UNL     1       1.308  -1.230  -0.004  1.00  0.00           C  
HETATM   17  C   UNL     1       2.740  -1.295  -0.308  1.00  0.00           C  
HETATM   18  O   UNL     1       3.162  -2.147  -1.068  1.00  0.00           O  
HETATM   19  N   UNL     1       3.589  -0.412   0.253  1.00  0.00           N  
HETATM   20  C   UNL     1       5.020  -0.477  -0.051  1.00  0.00           C  
HETATM   21  C   UNL     1       5.754   0.629   0.710  1.00  0.00           C  
HETATM   22  N   UNL     1       7.186   0.563   0.406  1.00  0.00           N  
HETATM   23  C   UNL     1       7.779   1.219  -0.608  1.00  0.00           C  
HETATM   24  O   UNL     1       7.221   1.947  -1.404  1.00  0.00           O  
HETATM   25  C   UNL     1       9.222   0.905  -0.590  1.00  0.00           C  
HETATM   26  C   UNL     1      10.302   1.282  -1.373  1.00  0.00           C  
HETATM   27  C   UNL     1      11.569   0.794  -1.081  1.00  0.00           C  
HETATM   28  O   UNL     1      12.629   1.163  -1.846  1.00  0.00           O  
HETATM   29  C   UNL     1      11.758  -0.071  -0.005  1.00  0.00           C  
HETATM   30  O   UNL     1      13.001  -0.543   0.273  1.00  0.00           O  
HETATM   31  C   UNL     1      10.681  -0.454   0.785  1.00  0.00           C  
HETATM   32  C   UNL     1       9.413   0.029   0.499  1.00  0.00           C  
HETATM   33  C   UNL     1       8.081  -0.155   1.108  1.00  0.00           C  
HETATM   34  O   UNL     1       7.834  -0.841   2.080  1.00  0.00           O  
HETATM   35  C   UNL     1       0.354  -2.111  -0.389  1.00  0.00           C  
HETATM   36  C   UNL     1       0.613  -3.320  -1.207  1.00  0.00           C  
HETATM   37  O   UNL     1       1.752  -3.636  -1.480  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.417  -4.069  -1.646  1.00  0.00           O  
HETATM   39  N   UNL     1      -0.880  -1.739   0.074  1.00  0.00           N  
HETATM   40  C   UNL     1      -4.929   2.050   0.045  1.00  0.00           C  
HETATM   41  N   UNL     1      -3.681   2.344   0.415  1.00  0.00           N  
HETATM   42  C   UNL     1      -3.306   3.578   0.285  1.00  0.00           C  
HETATM   43  N   UNL     1      -2.054   4.071   0.614  1.00  0.00           N  
HETATM   44  S   UNL     1      -4.631   4.530  -0.375  1.00  0.00           S  
HETATM   45  C   UNL     1      -5.646   3.091  -0.429  1.00  0.00           C  
HETATM   46 CL   UNL     1      -7.286   3.023  -0.992  1.00  0.00          Cl  
HETATM   47  C   UNL     1      -8.874  -2.491  -0.865  1.00  0.00           C  
HETATM   48  O   UNL     1      -8.127  -3.320  -0.403  1.00  0.00           O  
HETATM   49  O   UNL     1     -10.075  -2.860  -1.340  1.00  0.00           O  
HETATM   50  H   UNL     1      -9.459  -0.549   0.934  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.151   0.844  -0.131  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.448  -0.309  -0.526  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.147   0.488  -2.392  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.741  -1.157  -2.937  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.445  -0.664  -2.786  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.164   0.798   1.339  1.00  0.00           H  
HETATM   57  HA  UNL     1      -2.932  -2.100   1.619  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.918  -1.952   4.218  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.169   0.121   2.745  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.758  -1.607   2.631  1.00  0.00           H  
HETATM   61  H   UNL     1       0.709   0.811   0.330  1.00  0.00           H  
HETATM   62  H   UNL     1       0.984  -0.139   1.824  1.00  0.00           H  
HETATM   63  H   UNL     1       3.252   0.267   0.859  1.00  0.00           H  
HETATM   64  H   UNL     1       5.412  -1.448   0.252  1.00  0.00           H  
HETATM   65  H   UNL     1       5.171  -0.342  -1.122  1.00  0.00           H  
HETATM   66  H   UNL     1       5.363   1.600   0.408  1.00  0.00           H  
HETATM   67  H   UNL     1       5.604   0.494   1.782  1.00  0.00           H  
HETATM   68  H   UNL     1      10.159   1.952  -2.208  1.00  0.00           H  
HETATM   69  H   UNL     1      13.079   1.960  -1.536  1.00  0.00           H  
HETATM   70  H   UNL     1      13.218  -1.371  -0.177  1.00  0.00           H  
HETATM   71  H   UNL     1      10.831  -1.125   1.618  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.199  -4.848  -2.176  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.697  -2.235  -0.091  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.377   3.476   0.973  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.854   5.011   0.485  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.296  -3.800  -1.291  1.00  0.00           H  
CONECT    1    2   50   51   52                                       
CONECT    2    1    4   47    3                                       
CONECT    3    2   53   54   55                                       
CONECT    4    2    5                                                 
CONECT    5    4    6    6                                            
CONECT    6    7    5    5   40                                       
CONECT    7    8    8    9    6                                       
CONECT    8    7    7                                                 
CONECT    9   10    7   56                                            
CONECT   10   13   11    9   57                                       
CONECT   11   10   12   12   58                                       
CONECT   12   11   11                                                 
CONECT   13   14   10   59   60                                       
CONECT   14   13   39   15                                            
CONECT   15   14   16   61   62                                       
CONECT   16   17   15   35   35                                       
CONECT   17   18   18   19   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   63                                            
CONECT   20   21   19   64   65                                       
CONECT   21   22   20   66   67                                       
CONECT   22   33   23   21                                            
CONECT   23   25   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   32   32   26   23                                       
CONECT   26   27   27   25   68                                       
CONECT   27   29   28   26   26                                       
CONECT   28   27   69                                                 
CONECT   29   30   31   31   27                                       
CONECT   30   29   70                                                 
CONECT   31   29   29   32   71                                       
CONECT   32   31   33   25   25                                       
CONECT   33   34   34   32   22                                       
CONECT   34   33   33                                                 
CONECT   35   39   16   16   36                                       
CONECT   36   37   37   35   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   72                                                 
CONECT   39   14   35   73                                            
CONECT   40    6   45   45   41                                       
CONECT   41   40   42   42                                            
CONECT   42   44   41   41   43                                       
CONECT   43   42   74   75                                            
CONECT   44   45   42                                                 
CONECT   45   46   40   40   44                                       
CONECT   46   45                                                      
CONECT   47   48   48    2   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   76                                                 
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   43                                                      
CONECT   75   43                                                      
CONECT   76   49                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
