COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.383   1.778   1.191  1.00  0.00           C  
HETATM    2  C   UNL     1       8.473   1.828  -0.962  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.142  -0.397   1.101  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.202  -2.266  -0.434  1.00  0.00           C  
HETATM    5 CL   UNL     1       6.738   5.379  -0.406  1.00  0.00          Cl  
HETATM    6  C   UNL     1       1.141  -0.109   0.695  1.00  0.00           C  
HETATM    7  C   UNL     1       1.083  -1.976  -0.833  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.418   0.274   0.937  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.616  -0.786   1.312  1.00  0.00           C  
HETATM   10  C   UNL     1       6.954   3.075   0.997  1.00  0.00           C  
HETATM   11  C   UNL     1       8.042   3.126  -1.143  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.031  -1.853  -0.794  1.00  0.00           C  
HETATM   13  C   UNL     1       8.150   1.146   0.212  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.824  -1.481   0.541  1.00  0.00           C  
HETATM   15  C   UNL     1       1.760  -0.896  -0.273  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.031   0.272  -0.310  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.834  -0.796  -1.176  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.419  -1.846   0.445  1.00  0.00           C  
HETATM   19  C   UNL     1       7.282   3.748  -0.168  1.00  0.00           C  
HETATM   20  C   UNL     1       8.619  -0.241   0.417  1.00  0.00           C  
HETATM   21  C   UNL     1       8.168  -1.188  -0.378  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.197  -1.797   0.978  1.00  0.00           C  
HETATM   23  C   UNL     1       9.598  -0.519   1.525  1.00  0.00           C  
HETATM   24  C   UNL     1       8.581  -2.626  -0.241  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.016   2.300   1.232  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.334   3.741  -0.687  1.00  0.00           C  
HETATM   27  C   UNL     1       3.514  -1.551  -1.705  1.00  0.00           C  
HETATM   28  C   UNL     1       3.977  -0.580   0.463  1.00  0.00           C  
HETATM   29  C   UNL     1       4.910  -1.147  -2.184  1.00  0.00           C  
HETATM   30  C   UNL     1       5.373  -0.176  -0.016  1.00  0.00           C  
HETATM   31  C   UNL     1       9.623  -2.021   1.822  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.169   3.572   2.070  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.513   4.957   0.226  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.943   2.528   0.163  1.00  0.00           C  
HETATM   35  C   UNL     1       7.200  -0.815  -1.471  1.00  0.00           C  
HETATM   36  N   UNL     1       3.056  -0.601  -0.681  1.00  0.00           N  
HETATM   37  N   UNL     1       5.831  -1.126  -1.039  1.00  0.00           N  
HETATM   38  N   UNL     1      -7.843   1.342  -0.692  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.853  -2.842   0.437  1.00  0.00           N  
HETATM   40  N   UNL     1      -7.490  -0.805  -2.503  1.00  0.00           N1+
HETATM   41  O   UNL     1      -7.918  -1.848  -2.964  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.737  -1.113   1.827  1.00  0.00           O  
HETATM   43  O   UNL     1      -7.600   0.231  -3.134  1.00  0.00           O1-
HETATM   44  O   UNL     1      -4.373  -3.196   2.349  1.00  0.00           O  
HETATM   45  O   UNL     1      -4.815  -4.314   0.157  1.00  0.00           O  
HETATM   46  O   UNL     1       9.745  -2.727   0.582  1.00  0.00           O  
HETATM   47  O   UNL     1      -9.502   4.667   1.215  1.00  0.00           O  
HETATM   48  S   UNL     1      -4.395  -3.196   0.928  1.00  0.00           S  
HETATM   49  H   UNL     1       7.130   1.255   2.102  1.00  0.00           H  
HETATM   50  H   UNL     1       9.067   1.343  -1.723  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.620   0.211   1.855  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.726  -3.104  -0.869  1.00  0.00           H  
HETATM   53  H   UNL     1       1.668   0.728   1.128  1.00  0.00           H  
HETATM   54  H   UNL     1       1.564  -2.582  -1.586  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.573   1.101   1.614  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.143  -0.788   2.282  1.00  0.00           H  
HETATM   57  H   UNL     1       6.360   3.565   1.754  1.00  0.00           H  
HETATM   58  H   UNL     1       8.292   3.654  -2.051  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.875  -2.682  -1.469  1.00  0.00           H  
HETATM   60  H   UNL     1      10.592  -0.193   1.220  1.00  0.00           H  
HETATM   61  H   UNL     1       9.297   0.023   2.421  1.00  0.00           H  
HETATM   62  H   UNL     1       7.768  -3.194   0.213  1.00  0.00           H  
HETATM   63  H   UNL     1       8.801  -3.035  -1.227  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.719   1.472   1.876  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.966   2.064   0.752  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.269   3.535  -1.207  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.549   3.944  -1.415  1.00  0.00           H  
HETATM   68  H   UNL     1       2.822  -1.540  -2.547  1.00  0.00           H  
HETATM   69  H   UNL     1       3.551  -2.554  -1.279  1.00  0.00           H  
HETATM   70  H   UNL     1       4.020  -1.572   0.914  1.00  0.00           H  
HETATM   71  H   UNL     1       3.623   0.140   1.202  1.00  0.00           H  
HETATM   72  H   UNL     1       5.264  -1.867  -2.922  1.00  0.00           H  
HETATM   73  H   UNL     1       4.866  -0.155  -2.634  1.00  0.00           H  
HETATM   74  H   UNL     1       5.335   0.827  -0.442  1.00  0.00           H  
HETATM   75  H   UNL     1       6.064  -0.187   0.827  1.00  0.00           H  
HETATM   76  H   UNL     1      10.475  -2.254   2.461  1.00  0.00           H  
HETATM   77  H   UNL     1       8.698  -2.312   2.319  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.961   3.430   2.805  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.231   3.783   2.584  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.566   5.187   0.715  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.833   5.813  -0.368  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.983   2.714   0.644  1.00  0.00           H  
HETATM   83  H   UNL     1       7.282   0.252  -1.680  1.00  0.00           H  
HETATM   84  H   UNL     1       7.434  -1.381  -2.373  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.341   1.301  -1.523  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.423  -3.387  -0.240  1.00  0.00           H  
CONECT    1   10   10   13   49                                       
CONECT    2   11   13   13   50                                       
CONECT    3    6    6   14   51                                       
CONECT    4    7   14   14   52                                       
CONECT    5   19                                                      
CONECT    6    3    3   15   53                                       
CONECT    7    4   15   15   54                                       
CONECT    8   16   16    9   55                                       
CONECT    9    8   18   18   56                                       
CONECT   10    1    1   19   57                                       
CONECT   11    2   19   19   58                                       
CONECT   12   17   17   18   59                                       
CONECT   13    1    2    2   20                                       
CONECT   14    3    4    4   22                                       
CONECT   15    6    7    7   36                                       
CONECT   16    8    8   38   17                                       
CONECT   17   12   12   16   40                                       
CONECT   18    9    9   12   48                                       
CONECT   19    5   10   11   11                                       
CONECT   20   13   23   21   21                                       
CONECT   21   20   20   35   24                                       
CONECT   22   14   39   42   42                                       
CONECT   23   20   31   60   61                                       
CONECT   24   21   46   62   63                                       
CONECT   25   34   32   64   65                                       
CONECT   26   33   34   66   67                                       
CONECT   27   29   36   68   69                                       
CONECT   28   30   36   70   71                                       
CONECT   29   27   37   72   73                                       
CONECT   30   28   37   74   75                                       
CONECT   31   23   46   76   77                                       
CONECT   32   25   47   78   79                                       
CONECT   33   26   47   80   81                                       
CONECT   34   25   26   38   82                                       
CONECT   35   21   37   83   84                                       
CONECT   36   15   27   28                                            
CONECT   37   29   30   35                                            
CONECT   38   16   34   85                                            
CONECT   39   22   48   86                                            
CONECT   40   17   43   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   22   22                                                 
CONECT   43   40                                                      
CONECT   44   48   48                                                 
CONECT   45   48   48                                                 
CONECT   46   24   31                                                 
CONECT   47   32   33                                                 
CONECT   48   18   39   44   44                                       
CONECT   48   45   45                                                 
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
