COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.042  -4.184  -0.852  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.862  -3.032   1.271  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.955  -1.937   0.706  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.002  -1.450   1.799  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.410   0.578   0.294  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.344   1.550   0.678  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.391   0.919   1.263  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.817  -4.376   0.781  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.616   1.617   1.800  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.292   3.102   1.998  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.255   3.046   0.500  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.115   0.830  -0.387  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.781  -4.792  -0.336  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.005   1.863  -1.317  1.00  0.00           C  
HETATM   15  C   UNL     1       0.199   2.100  -1.953  1.00  0.00           C  
HETATM   16  C   UNL     1       1.301   1.317  -1.672  1.00  0.00           C  
HETATM   17  C   UNL     1       1.204   0.278  -0.740  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.009   0.040  -0.092  1.00  0.00           C  
HETATM   19  C   UNL     1       2.346  -0.535  -0.449  1.00  0.00           C  
HETATM   20  C   UNL     1       3.282  -1.202  -0.209  1.00  0.00           C  
HETATM   21  C   UNL     1       4.424  -2.014   0.082  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.023  -4.601  -1.951  1.00  0.00           C  
HETATM   23  C   UNL     1       5.642  -1.770  -0.558  1.00  0.00           C  
HETATM   24  C   UNL     1       6.738  -2.557  -0.272  1.00  0.00           C  
HETATM   25  C   UNL     1       6.634  -3.587   0.646  1.00  0.00           C  
HETATM   26  C   UNL     1       5.431  -3.835   1.285  1.00  0.00           C  
HETATM   27  C   UNL     1       4.328  -3.053   1.013  1.00  0.00           C  
HETATM   28  C   UNL     1       8.052  -2.295  -0.961  1.00  0.00           C  
HETATM   29  C   UNL     1      10.129  -1.060  -0.813  1.00  0.00           C  
HETATM   30  C   UNL     1      10.906  -0.079   0.026  1.00  0.00           C  
HETATM   31  C   UNL     1      11.759  -0.536   1.013  1.00  0.00           C  
HETATM   32  C   UNL     1      12.472   0.364   1.783  1.00  0.00           C  
HETATM   33  C   UNL     1      12.331   1.722   1.566  1.00  0.00           C  
HETATM   34  C   UNL     1      11.478   2.180   0.579  1.00  0.00           C  
HETATM   35  C   UNL     1      10.770   1.279  -0.195  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.694   6.335   0.561  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.133  -0.402   1.258  1.00  0.00           N  
HETATM   38  N   UNL     1      -7.777  -3.500   0.221  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.885  -0.599   0.650  1.00  0.00           N  
HETATM   40  N   UNL     1      -4.582   3.604   0.813  1.00  0.00           N  
HETATM   41  N   UNL     1       8.839  -1.340  -0.170  1.00  0.00           N  
HETATM   42  O   UNL     1      -9.044  -5.426  -1.384  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.658   4.607   0.034  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.662   4.554  -1.426  1.00  0.00           O  
HETATM   45  S   UNL     1      -5.258   4.766  -0.154  1.00  0.00           S  
HETATM   46 CL   UNL     1       2.809   1.622  -2.477  1.00  0.00          Cl  
HETATM   47  H   UNL     1      -6.549  -5.068  -0.449  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.294  -3.509  -1.269  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.252  -3.865   1.619  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.439  -2.631   2.104  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.378  -2.338  -0.127  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.565  -1.104   0.358  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.579  -1.049   2.632  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.392  -2.283   2.147  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.366  -3.841   1.556  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.352  -5.263   1.210  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.436   1.513   1.089  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.899   1.174   2.754  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.218   3.662   2.132  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.662   3.223   2.879  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.511   3.458   1.182  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.984   3.282  -0.530  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.520  -5.487   0.062  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.285  -3.909  -0.729  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.863   2.478  -1.541  1.00  0.00           H  
HETATM   66  H   UNL     1       0.277   2.901  -2.673  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.090  -0.758   0.631  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.476  -3.712  -2.391  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.491  -5.157  -2.723  1.00  0.00           H  
HETATM   70  H   UNL     1       5.725  -0.967  -1.276  1.00  0.00           H  
HETATM   71  H   UNL     1       7.495  -4.200   0.866  1.00  0.00           H  
HETATM   72  H   UNL     1       5.357  -4.640   2.000  1.00  0.00           H  
HETATM   73  H   UNL     1       3.391  -3.245   1.515  1.00  0.00           H  
HETATM   74  H   UNL     1       8.605  -3.230  -1.057  1.00  0.00           H  
HETATM   75  H   UNL     1       7.866  -1.880  -1.952  1.00  0.00           H  
HETATM   76  H   UNL     1       9.958  -0.636  -1.803  1.00  0.00           H  
HETATM   77  H   UNL     1      10.696  -1.986  -0.908  1.00  0.00           H  
HETATM   78  H   UNL     1      11.869  -1.597   1.182  1.00  0.00           H  
HETATM   79  H   UNL     1      13.138   0.007   2.554  1.00  0.00           H  
HETATM   80  H   UNL     1      12.887   2.426   2.168  1.00  0.00           H  
HETATM   81  H   UNL     1      11.368   3.241   0.410  1.00  0.00           H  
HETATM   82  H   UNL     1      10.104   1.637  -0.966  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.041   6.410   1.591  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.605   6.372   0.540  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.097   7.164  -0.020  1.00  0.00           H  
HETATM   86  H   UNL     1       8.969  -1.673   0.774  1.00  0.00           H  
CONECT    1   38   22   47   48                                       
CONECT    2   38    3   49   50                                       
CONECT    3    2    4   51   52                                       
CONECT    4    3   37   53   54                                       
CONECT    5    6   39   39   12                                       
CONECT    6    7    7   11    5                                       
CONECT    7    9   37    6    6                                       
CONECT    8   13   38   55   56                                       
CONECT    9   10    7   57   58                                       
CONECT   10    9   40   59   60                                       
CONECT   11   40    6   61   62                                       
CONECT   12    5   14   14   18                                       
CONECT   13    8   42   63   64                                       
CONECT   14   12   12   15   65                                       
CONECT   15   14   16   16   66                                       
CONECT   16   15   15   17   46                                       
CONECT   17   18   18   16   19                                       
CONECT   18   12   17   17   67                                       
CONECT   19   17   20   20   20                                       
CONECT   20   19   19   19   21                                       
CONECT   21   20   23   23   27                                       
CONECT   22   42    1   68   69                                       
CONECT   23   21   21   24   70                                       
CONECT   24   23   28   25   25                                       
CONECT   25   24   24   26   71                                       
CONECT   26   27   27   25   72                                       
CONECT   27   21   26   26   73                                       
CONECT   28   41   24   74   75                                       
CONECT   29   30   41   76   77                                       
CONECT   30   35   35   31   29                                       
CONECT   31   32   32   30   78                                       
CONECT   32   33   31   31   79                                       
CONECT   33   34   34   32   80                                       
CONECT   34   33   33   35   81                                       
CONECT   35   34   30   30   82                                       
CONECT   36   45   83   84   85                                       
CONECT   37    4    7   39                                            
CONECT   38    8    2    1                                            
CONECT   39   37    5    5                                            
CONECT   40   10   45   11                                            
CONECT   41   29   28   86                                            
CONECT   42   13   22                                                 
CONECT   43   45   45                                                 
CONECT   44   45   45                                                 
CONECT   45   43   43   40   36                                       
CONECT   45   44   44                                                 
CONECT   46   16                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   18                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   41                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
