COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.185  -1.541  -1.997  1.00  0.00           C  
HETATM    2  O   UNL     1       4.071  -1.199  -2.336  1.00  0.00           O  
HETATM    3  C   UNL     1       6.015  -2.411  -2.905  1.00  0.00           C  
HETATM    4 CL   UNL     1       5.618   2.608   1.666  1.00  0.00          Cl  
HETATM    5  C   UNL     1       6.368   2.555   0.101  1.00  0.00           C  
HETATM    6  C   UNL     1       7.531   3.266  -0.135  1.00  0.00           C  
HETATM    7  C   UNL     1       8.127   3.223  -1.381  1.00  0.00           C  
HETATM    8  C   UNL     1       7.561   2.469  -2.392  1.00  0.00           C  
HETATM    9  C   UNL     1       6.399   1.758  -2.158  1.00  0.00           C  
HETATM   10  C   UNL     1       5.805   1.796  -0.911  1.00  0.00           C  
HETATM   11  C   UNL     1       4.538   1.020  -0.655  1.00  0.00           C  
HETATM   12  C   UNL     1       4.876  -0.285   0.068  1.00  0.00           C  
HETATM   13  N   UNL     1       5.681  -1.136  -0.811  1.00  0.00           N  
HETATM   14  C   UNL     1       3.602  -1.002   0.432  1.00  0.00           C  
HETATM   15  O   UNL     1       3.207  -1.922  -0.252  1.00  0.00           O  
HETATM   16  N   UNL     1       2.901  -0.621   1.519  1.00  0.00           N  
HETATM   17  C   UNL     1       3.264   0.477   2.434  1.00  0.00           C  
HETATM   18  C   UNL     1       2.565   0.126   3.771  1.00  0.00           C  
HETATM   19  C   UNL     1       1.229  -0.486   3.272  1.00  0.00           C  
HETATM   20  C   UNL     1       1.645  -1.225   1.984  1.00  0.00           C  
HETATM   21  C   UNL     1       0.577  -1.041   0.937  1.00  0.00           C  
HETATM   22  O   UNL     1       0.493   0.000   0.321  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.282  -2.049   0.695  1.00  0.00           N  
HETATM   24  C   UNL     1       1.859  -2.678   2.289  1.00  0.00           C  
HETATM   25  C   UNL     1       0.949  -3.591   2.100  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.404  -3.246   1.551  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.902  -4.353   0.594  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.908  -3.555  -0.283  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.217  -2.179  -0.427  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.246  -1.079  -0.367  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.207  -0.260   0.526  1.00  0.00           O  
HETATM   32  N   UNL     1      -3.209  -1.006  -1.307  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.391  -1.930  -2.449  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.670  -1.480  -3.203  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.413  -0.677  -2.122  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.269  -0.004  -1.382  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.697   0.604  -0.101  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.263   0.200   0.957  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.485   0.203  -2.583  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.752   1.424  -2.293  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.959   2.325  -1.393  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.826   3.487  -0.966  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.011   3.464   0.324  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.286   2.290   0.932  1.00  0.00           C  
HETATM   45  N   UNL     1      -5.578   1.617  -0.144  1.00  0.00           N  
HETATM   46  C   UNL     1      -7.276   1.337   1.550  1.00  0.00           C  
HETATM   47  O   UNL     1      -8.064   1.747   2.557  1.00  0.00           O  
HETATM   48  O   UNL     1      -7.360   0.204   1.140  1.00  0.00           O  
HETATM   49  H   UNL     1       5.453  -2.630  -3.813  1.00  0.00           H  
HETATM   50  H   UNL     1       6.936  -1.890  -3.165  1.00  0.00           H  
HETATM   51  H   UNL     1       6.256  -3.343  -2.393  1.00  0.00           H  
HETATM   52  H   UNL     1       7.972   3.855   0.655  1.00  0.00           H  
HETATM   53  H   UNL     1       9.035   3.778  -1.565  1.00  0.00           H  
HETATM   54  H   UNL     1       8.028   2.436  -3.366  1.00  0.00           H  
HETATM   55  H   UNL     1       5.957   1.170  -2.949  1.00  0.00           H  
HETATM   56  H   UNL     1       3.867   1.615  -0.036  1.00  0.00           H  
HETATM   57  H   UNL     1       4.053   0.794  -1.605  1.00  0.00           H  
HETATM   58  H   UNL     1       5.440  -0.063   0.974  1.00  0.00           H  
HETATM   59  H   UNL     1       6.572  -1.409  -0.540  1.00  0.00           H  
HETATM   60  H   UNL     1       4.345   0.515   2.570  1.00  0.00           H  
HETATM   61  H   UNL     1       2.895   1.428   2.051  1.00  0.00           H  
HETATM   62  H   UNL     1       3.143  -0.606   4.335  1.00  0.00           H  
HETATM   63  H   UNL     1       2.386   1.022   4.365  1.00  0.00           H  
HETATM   64  H   UNL     1       0.826  -1.184   4.007  1.00  0.00           H  
HETATM   65  H   UNL     1       0.505   0.297   3.049  1.00  0.00           H  
HETATM   66  H   UNL     1       2.816  -2.983   2.686  1.00  0.00           H  
HETATM   67  H   UNL     1       1.174  -4.619   2.343  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.115  -3.073   2.359  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.085  -4.749  -0.008  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.405  -5.150   1.142  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.033  -4.028  -1.257  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.868  -3.454   0.224  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.674  -2.133  -1.371  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.529  -1.872  -3.114  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.513  -2.950  -2.085  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.419  -0.848  -4.054  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.258  -2.342  -3.520  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.859  -1.395  -1.434  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.908   0.805  -2.017  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.167  -0.251  -3.286  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.639   1.847  -2.742  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.077   2.692  -1.918  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.233   4.231  -1.635  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.599   4.182   0.877  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.582   2.638   1.688  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.683   1.100   2.921  1.00  0.00           H  
CONECT    1    3    2    2   13                                       
CONECT    2    1    1                                                 
CONECT    3    1   49   50   51                                       
CONECT    4    5                                                      
CONECT    5    6    6   10    4                                       
CONECT    6    7    5    5   52                                       
CONECT    7    8    8    6   53                                       
CONECT    8    7    7    9   54                                       
CONECT    9    8   10   10   55                                       
CONECT   10    9    9    5   11                                       
CONECT   11   10   12   56   57                                       
CONECT   12   13   11   14   58                                       
CONECT   13    1   12   59                                            
CONECT   14   12   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   20                                            
CONECT   17   16   18   60   61                                       
CONECT   18   17   19   62   63                                       
CONECT   19   20   18   64   65                                       
CONECT   20   16   24   21   19                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   26   29                                            
CONECT   24   25   25   20   66                                       
CONECT   25   24   24   26   67                                       
CONECT   26   25   27   23   68                                       
CONECT   27   26   28   69   70                                       
CONECT   28   27   29   71   72                                       
CONECT   29   23   28   30   73                                       
CONECT   30   29   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   33   30   36                                            
CONECT   33   34   32   74   75                                       
CONECT   34   33   35   76   77                                       
CONECT   35   34   36   39   78                                       
CONECT   36   32   35   37   79                                       
CONECT   37   36   38   38   45                                       
CONECT   38   37   37                                                 
CONECT   39   35   40   40   80                                       
CONECT   40   39   39   41   81                                       
CONECT   41   40   45   42   82                                       
CONECT   42   41   43   43   83                                       
CONECT   43   44   42   42   84                                       
CONECT   44   45   46   43   85                                       
CONECT   45   37   41   44                                            
CONECT   46   48   48   44   47                                       
CONECT   47   46   86                                                 
CONECT   48   46   46                                                 
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   44                                                      
CONECT   86   47                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
