COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.490  -5.392  -1.691  1.00  0.00           C  
HETATM    2  C   UNL     1       2.528  -4.578  -2.663  1.00  0.00           C  
HETATM    3  C   UNL     1       3.719  -3.884  -2.623  1.00  0.00           C  
HETATM    4  C   UNL     1       4.092  -3.245  -1.436  1.00  0.00           C  
HETATM    5  C   UNL     1       3.233  -3.340  -0.335  1.00  0.00           C  
HETATM    6  C   UNL     1       2.060  -4.055  -0.463  1.00  0.00           C  
HETATM    7  C   UNL     1       5.361  -2.489  -1.345  1.00  0.00           C  
HETATM    8  C   UNL     1       6.879  -0.908  -0.911  1.00  0.00           C  
HETATM    9  C   UNL     1       8.782   0.499  -0.644  1.00  0.00           C  
HETATM   10  C   UNL     1       9.411   1.781  -0.162  1.00  0.00           C  
HETATM   11  C   UNL     1      10.905   1.771  -0.489  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.108  -5.561   0.790  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.520  -5.777  -0.606  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.812  -7.144  -0.671  1.00  0.00           C  
HETATM   15  C   UNL     1       0.646  -6.798  -1.059  1.00  0.00           C  
HETATM   16  C   UNL     1      11.534   3.053  -0.007  1.00  0.00           C  
HETATM   17  C   UNL     1      12.050   3.131   1.273  1.00  0.00           C  
HETATM   18  C   UNL     1      12.627   4.306   1.715  1.00  0.00           C  
HETATM   19  C   UNL     1      12.687   5.405   0.877  1.00  0.00           C  
HETATM   20  C   UNL     1      12.170   5.327  -0.404  1.00  0.00           C  
HETATM   21  C   UNL     1      11.599   4.149  -0.848  1.00  0.00           C  
HETATM   22  C   UNL     1       5.528  -1.254  -0.787  1.00  0.00           C  
HETATM   23  C   UNL     1       4.451  -0.414  -0.150  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.245   1.467   2.384  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.323   2.499   1.257  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.554   3.912   1.837  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.504   4.584   0.822  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.736   3.498  -0.252  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.610   4.352  -1.723  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.976   4.044  -1.835  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.737   4.738  -2.791  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.842   5.906  -3.400  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.155   2.782  -0.274  1.00  0.00           C  
HETATM   34  N   UNL     1       1.746  -4.643  -1.602  1.00  0.00           N1+
HETATM   35  N   UNL     1       6.579  -2.900  -1.800  1.00  0.00           N  
HETATM   36  N   UNL     1       7.506  -1.890  -1.516  1.00  0.00           N  
HETATM   37  N   UNL     1       7.464   0.285  -0.463  1.00  0.00           N  
HETATM   38  N   UNL     1      -8.119   3.541  -0.731  1.00  0.00           N  
HETATM   39  N   UNL     1     -12.087   4.478  -2.946  1.00  0.00           N  
HETATM   40  N   UNL     1     -10.130   5.651  -3.542  1.00  0.00           N  
HETATM   41  N   UNL     1      -8.089   5.278  -2.521  1.00  0.00           N  
HETATM   42  N   UNL     1     -10.244   3.078  -0.923  1.00  0.00           N  
HETATM   43  O   UNL     1      -2.660  -3.699   3.238  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.861  -4.347   0.807  1.00  0.00           O  
HETATM   45  O   UNL     1      -1.412  -7.971  -1.670  1.00  0.00           O  
HETATM   46  O   UNL     1       1.156  -7.732  -2.013  1.00  0.00           O  
HETATM   47  O   UNL     1       9.463  -0.341  -1.195  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.531  -4.770  -0.881  1.00  0.00           O  
HETATM   49  O   UNL     1      -4.252  -2.356   1.813  1.00  0.00           O  
HETATM   50  O   UNL     1      -4.916   0.188   1.836  1.00  0.00           O  
HETATM   51  O   UNL     1      -4.320   4.628   1.918  1.00  0.00           O  
HETATM   52  O   UNL     1      -5.887   5.736   0.244  1.00  0.00           O  
HETATM   53  O   UNL     1      -6.477   2.249   0.425  1.00  0.00           O  
HETATM   54  O   UNL     1      -3.754  -0.886   3.803  1.00  0.00           O  
HETATM   55  O   UNL     1      -6.167  -1.511   3.405  1.00  0.00           O  
HETATM   56  O   UNL     1      -4.799  -4.829   2.517  1.00  0.00           O  
HETATM   57  P   UNL     1      -3.622  -3.806   2.118  1.00  0.00           P  
HETATM   58  P   UNL     1      -4.750  -1.136   2.738  1.00  0.00           P  
HETATM   59 CL   UNL     1      13.411   6.883   1.432  1.00  0.00          Cl  
HETATM   60  H   UNL     1       0.164  -5.471  -2.728  1.00  0.00           H  
HETATM   61  H   UNL     1       2.228  -5.071  -3.576  1.00  0.00           H  
HETATM   62  H   UNL     1       4.354  -3.835  -3.495  1.00  0.00           H  
HETATM   63  H   UNL     1       3.484  -2.862   0.600  1.00  0.00           H  
HETATM   64  H   UNL     1       1.390  -4.135   0.380  1.00  0.00           H  
HETATM   65  H   UNL     1       8.936   2.627  -0.659  1.00  0.00           H  
HETATM   66  H   UNL     1       9.275   1.869   0.916  1.00  0.00           H  
HETATM   67  H   UNL     1      11.380   0.924   0.007  1.00  0.00           H  
HETATM   68  H   UNL     1      11.041   1.682  -1.567  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.761  -6.397   1.042  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.300  -5.499   1.519  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.313  -5.734  -1.353  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.842  -7.636   0.301  1.00  0.00           H  
HETATM   73  H   UNL     1       1.285  -6.759  -0.176  1.00  0.00           H  
HETATM   74  H   UNL     1      12.003   2.273   1.927  1.00  0.00           H  
HETATM   75  H   UNL     1      13.030   4.367   2.715  1.00  0.00           H  
HETATM   76  H   UNL     1      12.217   6.184  -1.059  1.00  0.00           H  
HETATM   77  H   UNL     1      11.199   4.086  -1.849  1.00  0.00           H  
HETATM   78  H   UNL     1       4.387  -0.649   0.912  1.00  0.00           H  
HETATM   79  H   UNL     1       4.693   0.642  -0.275  1.00  0.00           H  
HETATM   80  H   UNL     1       3.495  -0.627  -0.628  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.476   1.765   3.097  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.208   1.408   2.890  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.411   2.478   0.660  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.025   3.849   2.819  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.446   4.854   1.301  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.043   3.632  -1.082  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.388   6.656  -4.031  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.083   2.043   0.510  1.00  0.00           H  
HETATM   89  H   UNL     1       6.769  -3.743  -2.241  1.00  0.00           H  
HETATM   90  H   UNL     1       6.920   0.956  -0.022  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.519   3.809  -2.392  1.00  0.00           H  
HETATM   92  H   UNL     1     -12.602   4.964  -3.610  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.005  -8.844  -1.754  1.00  0.00           H  
HETATM   94  H   UNL     1       1.271  -8.627  -1.664  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.406   5.522   2.276  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.664   6.425   0.884  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.869  -1.688   2.764  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.467  -4.948   1.828  1.00  0.00           H  
CONECT    1   15   34   60   48                                       
CONECT    2    3    3   34   61                                       
CONECT    3    2    2    4   62                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   63                                       
CONECT    6    5   34   34   64                                       
CONECT    7    4   22   22   35                                       
CONECT    8   22   36   36   37                                       
CONECT    9   10   37   47   47                                       
CONECT   10    9   11   65   66                                       
CONECT   11   10   16   67   68                                       
CONECT   12   13   44   69   70                                       
CONECT   13   12   14   48   71                                       
CONECT   14   13   15   45   72                                       
CONECT   15    1   14   46   73                                       
CONECT   16   11   17   17   21                                       
CONECT   17   16   16   18   74                                       
CONECT   18   17   19   19   75                                       
CONECT   19   18   18   20   59                                       
CONECT   20   19   21   21   76                                       
CONECT   21   16   20   20   77                                       
CONECT   22    7    7    8   23                                       
CONECT   23   22   78   79   80                                       
CONECT   24   25   50   81   82                                       
CONECT   25   24   26   53   83                                       
CONECT   26   25   27   51   84                                       
CONECT   27   26   28   52   85                                       
CONECT   28   27   38   53   86                                       
CONECT   29   30   30   38   41                                       
CONECT   30   29   29   31   42                                       
CONECT   31   30   39   40   40                                       
CONECT   32   40   41   41   87                                       
CONECT   33   38   42   42   88                                       
CONECT   34    1    2    6    6                                       
CONECT   35    7   36   89                                            
CONECT   36    8    8   35                                            
CONECT   37    8    9   90                                            
CONECT   38   28   29   33                                            
CONECT   39   31   91   92                                            
CONECT   40   31   31   32                                            
CONECT   41   29   32   32                                            
CONECT   42   30   33   33                                            
CONECT   43   57   57                                                 
CONECT   44   12   57                                                 
CONECT   45   14   93                                                 
CONECT   46   15   94                                                 
CONECT   47    9    9                                                 
CONECT   48   13    1                                                 
CONECT   49   57   58                                                 
CONECT   50   24   58                                                 
CONECT   51   26   95                                                 
CONECT   52   27   96                                                 
CONECT   53   25   28                                                 
CONECT   54   58   58                                                 
CONECT   55   58   97                                                 
CONECT   56   57   98                                                 
CONECT   57   43   43   44   49                                       
CONECT   57   56                                                      
CONECT   58   49   50   54   54                                       
CONECT   58   55                                                      
CONECT   59   19                                                      
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   35                                                      
CONECT   90   37                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   51                                                      
CONECT   96   52                                                      
CONECT   97   55                                                      
CONECT   98   56                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
