COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.949   2.601  -0.955  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.409   1.878  -1.765  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.997   3.586  -1.404  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.616   2.519   0.349  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.602   1.557   0.786  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.296   1.854   0.095  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.286   2.511  -0.925  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.056   0.140   0.431  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.314  -0.208   1.229  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.768  -1.625   0.873  1.00  0.00           C  
HETATM   11  N   UNL     1      -7.973  -1.958   1.638  1.00  0.00           N  
HETATM   12  C   UNL     1      -8.564  -3.182   1.484  1.00  0.00           C  
HETATM   13  N   UNL     1      -8.044  -4.071   0.640  1.00  0.00           N  
HETATM   14  N   UNL     1      -9.659  -3.484   2.179  1.00  0.00           N1+
HETATM   15  N   UNL     1      -2.140   1.391   0.610  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.871   1.680  -0.062  1.00  0.00           C  
HETATM   17  C   UNL     1       0.139   0.619   0.293  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.172  -0.289   1.034  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.354   3.047   0.390  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.319   4.138  -0.080  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.809   5.485   0.366  1.00  0.00           C  
HETATM   22  O   UNL     1       0.219   5.564   0.994  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.499   6.596   0.064  1.00  0.00           O  
HETATM   24  N   UNL     1       1.386   0.679  -0.214  1.00  0.00           N  
HETATM   25  C   UNL     1       2.368  -0.352   0.131  1.00  0.00           C  
HETATM   26  C   UNL     1       3.759   0.210  -0.012  1.00  0.00           C  
HETATM   27  O   UNL     1       3.915   1.359  -0.367  1.00  0.00           O  
HETATM   28  C   UNL     1       2.202  -1.548  -0.808  1.00  0.00           C  
HETATM   29  C   UNL     1       0.835  -2.195  -0.574  1.00  0.00           C  
HETATM   30  C   UNL     1       0.669  -3.391  -1.514  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.639  -4.011  -1.290  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.012  -5.105  -2.021  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.185  -5.608  -2.936  1.00  0.00           N  
HETATM   34  N   UNL     1      -2.202  -5.668  -1.817  1.00  0.00           N1+
HETATM   35  C   UNL     1       6.636  -0.146  -1.339  1.00  0.00           C  
HETATM   36  N   UNL     1       4.829  -0.565   0.255  1.00  0.00           N  
HETATM   37  O   UNL     1       7.955   0.387  -1.474  1.00  0.00           O  
HETATM   38  C   UNL     1       6.181  -0.018   0.116  1.00  0.00           C  
HETATM   39  C   UNL     1       7.140  -0.795   1.020  1.00  0.00           C  
HETATM   40  C   UNL     1       7.719  -1.343   3.388  1.00  0.00           C  
HETATM   41  C   UNL     1       7.338  -1.115   4.852  1.00  0.00           C  
HETATM   42  C   UNL     1       6.760  -0.566   2.484  1.00  0.00           C  
HETATM   43  N   UNL     1       8.259  -1.860   5.720  1.00  0.00           N  
HETATM   44  C   UNL     1       5.676   0.631  -2.243  1.00  0.00           C  
HETATM   45 CL   UNL     1       6.125   0.362  -3.968  1.00  0.00          Cl  
HETATM   46  H   UNL     1      -7.134   3.505  -2.483  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.940   3.369  -0.901  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.676   4.597  -1.154  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.048   3.097   0.997  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.468   1.636   1.865  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.275   0.085  -0.636  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.264  -0.568   0.675  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.095  -0.153   2.295  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.106   0.500   0.984  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.988  -1.679  -0.193  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.976  -2.332   1.118  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.352  -1.310   2.252  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.246  -3.851   0.134  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.463  -4.939   0.531  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.078  -4.352   2.070  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.038  -2.837   2.793  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.148   0.866   1.425  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.025   1.689  -1.141  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.284   3.068   1.478  1.00  0.00           H  
HETATM   65  H   UNL     1       0.632   3.224  -0.041  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.388   4.118  -1.168  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.304   3.962   0.351  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.133   7.437   0.371  1.00  0.00           H  
HETATM   69  H   UNL     1       1.634   1.406  -0.807  1.00  0.00           H  
HETATM   70  H   UNL     1       2.210  -0.674   1.161  1.00  0.00           H  
HETATM   71  H   UNL     1       2.272  -1.211  -1.842  1.00  0.00           H  
HETATM   72  H   UNL     1       2.988  -2.277  -0.610  1.00  0.00           H  
HETATM   73  H   UNL     1       0.765  -2.533   0.460  1.00  0.00           H  
HETATM   74  H   UNL     1       0.049  -1.466  -0.772  1.00  0.00           H  
HETATM   75  H   UNL     1       0.739  -3.054  -2.548  1.00  0.00           H  
HETATM   76  H   UNL     1       1.455  -4.121  -1.316  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.241  -3.645  -0.623  1.00  0.00           H  
HETATM   78  H   UNL     1       0.681  -5.198  -3.085  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.450  -6.384  -3.455  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.804  -5.302  -1.150  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.466  -6.444  -2.335  1.00  0.00           H  
HETATM   82  H   UNL     1       4.704  -1.484   0.539  1.00  0.00           H  
HETATM   83  H   UNL     1       8.028   1.321  -1.233  1.00  0.00           H  
HETATM   84  H   UNL     1       6.180   1.033   0.406  1.00  0.00           H  
HETATM   85  H   UNL     1       7.076  -1.859   0.790  1.00  0.00           H  
HETATM   86  H   UNL     1       8.160  -0.448   0.851  1.00  0.00           H  
HETATM   87  H   UNL     1       8.738  -0.997   3.219  1.00  0.00           H  
HETATM   88  H   UNL     1       7.654  -2.407   3.158  1.00  0.00           H  
HETATM   89  H   UNL     1       7.403  -0.051   5.083  1.00  0.00           H  
HETATM   90  H   UNL     1       6.319  -1.461   5.021  1.00  0.00           H  
HETATM   91  H   UNL     1       6.825   0.497   2.715  1.00  0.00           H  
HETATM   92  H   UNL     1       5.740  -0.913   2.653  1.00  0.00           H  
HETATM   93  H   UNL     1       9.217  -1.603   5.537  1.00  0.00           H  
HETATM   94  H   UNL     1       8.029  -1.726   6.693  1.00  0.00           H  
HETATM   95  H   UNL     1       6.637  -1.196  -1.629  1.00  0.00           H  
HETATM   96  H   UNL     1       4.657   0.285  -2.074  1.00  0.00           H  
HETATM   97  H   UNL     1       5.741   1.695  -2.013  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   46   47   48                                       
CONECT    4    5   49    1                                            
CONECT    5    4    6    8   50                                       
CONECT    6    5    7    7   15                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   51   52                                       
CONECT    9    8   10   53   54                                       
CONECT   10    9   11   55   56                                       
CONECT   11   10   12   57                                            
CONECT   12   11   13   14   14                                       
CONECT   13   12   58   59                                            
CONECT   14   12   12   60   61                                       
CONECT   15   16   62    6                                            
CONECT   16   15   17   19   63                                       
CONECT   17   16   18   18   24                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   64   65                                       
CONECT   20   19   21   66   67                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   68                                                 
CONECT   24   25   69   17                                            
CONECT   25   24   26   28   70                                       
CONECT   26   25   27   27   36                                       
CONECT   27   26   26                                                 
CONECT   28   25   29   71   72                                       
CONECT   29   28   30   73   74                                       
CONECT   30   29   31   75   76                                       
CONECT   31   30   32   77                                            
CONECT   32   31   33   34   34                                       
CONECT   33   32   78   79                                            
CONECT   34   32   32   80   81                                       
CONECT   35   38   37   95   44                                       
CONECT   36   38   82   26                                            
CONECT   37   35   83                                                 
CONECT   38   35   36   39   84                                       
CONECT   39   38   42   85   86                                       
CONECT   40   41   42   87   88                                       
CONECT   41   40   43   89   90                                       
CONECT   42   39   40   91   92                                       
CONECT   43   41   93   94                                            
CONECT   44   45   96   97   35                                       
CONECT   45   44                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
CONECT   95   35                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
