COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.862  -2.551   5.634  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.398  -1.467   5.546  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.984  -0.345   6.463  1.00  0.00           C  
HETATM    4  N   UNL     1       0.073  -0.813   7.361  1.00  0.00           N  
HETATM    5  C   UNL     1       0.602   0.024   8.274  1.00  0.00           C  
HETATM    6  O   UNL     1       0.202   1.167   8.352  1.00  0.00           O  
HETATM    7  C   UNL     1       1.691  -0.457   9.198  1.00  0.00           C  
HETATM    8  C   UNL     1       3.055  -0.205   8.553  1.00  0.00           C  
HETATM    9  C   UNL     1       4.154  -0.801   9.436  1.00  0.00           C  
HETATM   10  C   UNL     1       4.009  -2.323   9.474  1.00  0.00           C  
HETATM   11  C   UNL     1       5.524  -0.433   8.863  1.00  0.00           C  
HETATM   12  N   UNL     1       1.610   0.268  10.468  1.00  0.00           N  
HETATM   13  C   UNL     1       1.846   1.622  10.503  1.00  0.00           C  
HETATM   14  N   UNL     1       2.141   2.260   9.405  1.00  0.00           N  
HETATM   15  N   UNL     1       1.770   2.303  11.695  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.364  -1.265   4.628  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.027   0.040   4.513  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.927   0.512   3.055  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.502  -0.567   2.135  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.686  -1.853   2.282  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.779  -2.350   3.728  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.440  -0.093   0.705  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.403   0.593   0.054  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.689   1.014   0.617  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.956   0.842  -1.249  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.414  -0.287  -0.151  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.759   0.310  -1.379  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.920   0.337  -2.603  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.506   0.162  -3.855  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.725   0.188  -4.991  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.355   0.386  -4.890  1.00  0.00           C  
HETATM   32  C   UNL     1       0.233   0.561  -3.644  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.544   0.542  -2.503  1.00  0.00           C  
HETATM   34 CL   UNL     1       0.190   0.760  -0.946  1.00  0.00          Cl  
HETATM   35 CL   UNL     1       1.947   0.810  -3.522  1.00  0.00          Cl  
HETATM   36  O   UNL     1       0.411   0.410  -6.012  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.469   0.205  -7.118  1.00  0.00           C  
HETATM   38  C   UNL     1       0.322   0.221  -8.400  1.00  0.00           C  
HETATM   39  C   UNL     1       0.515   1.411  -9.078  1.00  0.00           C  
HETATM   40  C   UNL     1       1.244   1.429 -10.250  1.00  0.00           C  
HETATM   41  C   UNL     1       1.776   0.249 -10.754  1.00  0.00           C  
HETATM   42  C   UNL     1       1.576  -0.944 -10.074  1.00  0.00           C  
HETATM   43  C   UNL     1       0.850  -0.955  -8.900  1.00  0.00           C  
HETATM   44  N   UNL     1       2.510   0.264 -11.945  1.00  0.00           N  
HETATM   45  C   UNL     1       2.440  -0.781 -12.793  1.00  0.00           C  
HETATM   46  O   UNL     1       1.664  -1.687 -12.575  1.00  0.00           O  
HETATM   47  C   UNL     1       3.327  -0.824 -14.011  1.00  0.00           C  
HETATM   48  H   UNL     1      -1.843  -0.020   7.051  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.613   0.490   5.869  1.00  0.00           H  
HETATM   50  H   UNL     1       0.393  -1.727   7.298  1.00  0.00           H  
HETATM   51  H   UNL     1       1.566  -1.524   9.381  1.00  0.00           H  
HETATM   52  H   UNL     1       3.216   0.867   8.448  1.00  0.00           H  
HETATM   53  H   UNL     1       3.085  -0.675   7.570  1.00  0.00           H  
HETATM   54  H   UNL     1       4.064  -0.402  10.446  1.00  0.00           H  
HETATM   55  H   UNL     1       4.792  -2.747  10.102  1.00  0.00           H  
HETATM   56  H   UNL     1       3.033  -2.585   9.882  1.00  0.00           H  
HETATM   57  H   UNL     1       4.099  -2.722   8.463  1.00  0.00           H  
HETATM   58  H   UNL     1       5.649  -0.905   7.889  1.00  0.00           H  
HETATM   59  H   UNL     1       5.594   0.649   8.754  1.00  0.00           H  
HETATM   60  H   UNL     1       6.306  -0.780   9.538  1.00  0.00           H  
HETATM   61  H   UNL     1       1.390  -0.206  11.285  1.00  0.00           H  
HETATM   62  H   UNL     1       2.308   3.216   9.429  1.00  0.00           H  
HETATM   63  H   UNL     1       1.936   3.258  11.719  1.00  0.00           H  
HETATM   64  H   UNL     1       1.550   1.828  12.511  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.076  -0.049   4.797  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.531   0.759   5.165  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.883   0.690   2.798  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.495   1.434   2.932  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.539  -0.762   2.408  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.643  -1.652   2.032  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.081  -2.614   1.609  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.121  -3.208   3.862  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.807  -2.636   3.950  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.433   0.237   0.442  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.580   1.177   1.689  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.010   1.939   0.138  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.493  -0.808   0.066  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.572   0.007  -3.935  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.180   0.052  -5.961  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.214   1.001  -7.142  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.969  -0.757  -7.012  1.00  0.00           H  
HETATM   82  H   UNL     1       0.102   2.328  -8.685  1.00  0.00           H  
HETATM   83  H   UNL     1       1.398   2.360 -10.777  1.00  0.00           H  
HETATM   84  H   UNL     1       1.988  -1.863 -10.464  1.00  0.00           H  
HETATM   85  H   UNL     1       0.694  -1.883  -8.370  1.00  0.00           H  
HETATM   86  H   UNL     1       3.070   1.026 -12.161  1.00  0.00           H  
HETATM   87  H   UNL     1       3.130  -1.738 -14.571  1.00  0.00           H  
HETATM   88  H   UNL     1       3.120   0.040 -14.642  1.00  0.00           H  
HETATM   89  H   UNL     1       4.371  -0.806 -13.701  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   16                                       
CONECT    3    2    4   48   49                                       
CONECT    4    3    5   50                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   12   51                                       
CONECT    8    7    9   52   53                                       
CONECT    9    8   10   11   54                                       
CONECT   10    9   55   56   57                                       
CONECT   11    9   58   59   60                                       
CONECT   12    7   13   61                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   62                                            
CONECT   15   13   63   64                                            
CONECT   16    2   17   21                                            
CONECT   17   16   18   65   66                                       
CONECT   18   17   19   67   68                                       
CONECT   19   18   20   22   69                                       
CONECT   20   19   21   70   71                                       
CONECT   21   16   20   72   73                                       
CONECT   22   19   23   26   26                                       
CONECT   23   22   24   25                                            
CONECT   24   23   74   75   76                                       
CONECT   25   23   27   27                                            
CONECT   26   22   22   27   77                                       
CONECT   27   25   25   26   28                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   78                                       
CONECT   30   29   31   31   79                                       
CONECT   31   30   30   32   36                                       
CONECT   32   31   33   33   35                                       
CONECT   33   28   32   32   34                                       
CONECT   34   33                                                      
CONECT   35   32                                                      
CONECT   36   31   37                                                 
CONECT   37   36   38   80   81                                       
CONECT   38   37   39   39   43                                       
CONECT   39   38   38   40   82                                       
CONECT   40   39   41   41   83                                       
CONECT   41   40   40   42   44                                       
CONECT   42   41   43   43   84                                       
CONECT   43   38   42   42   85                                       
CONECT   44   41   45   86                                            
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   87   88   89                                       
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   26                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   47                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
