COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.817  -2.948  -0.420  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.242  -4.269  -0.473  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.316  -5.287  -0.585  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.965  -4.992  -0.646  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.538  -3.677  -0.593  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.460  -2.654  -0.481  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.442   3.656   0.990  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.469   3.433  -1.409  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.848   3.392  -1.384  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.273   3.609  -0.240  1.00  0.00           C  
HETATM   11  C   UNL     1       0.412   3.518  -1.450  1.00  0.00           C  
HETATM   12  C   UNL     1       4.000   3.738  -0.300  1.00  0.00           C  
HETATM   13  N   UNL     1       4.533   2.399  -0.036  1.00  0.00           N1+
HETATM   14  C   UNL     1       4.820   2.057   1.199  1.00  0.00           C  
HETATM   15  C   UNL     1       5.327   0.803   1.513  1.00  0.00           C  
HETATM   16  C   UNL     1       5.542  -0.123   0.504  1.00  0.00           C  
HETATM   17  C   UNL     1       5.228   0.259  -0.823  1.00  0.00           C  
HETATM   18 CL   UNL     1      -3.803  -6.274  -0.787  1.00  0.00          Cl  
HETATM   19  N   UNL     1      -7.752  -1.915  -0.312  1.00  0.00           N  
HETATM   20  C   UNL     1      -9.183  -2.226  -0.254  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.326  -0.596  -0.260  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.169   0.151  -1.418  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.742   1.469  -1.332  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.044   0.032   0.976  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.183  -0.653   2.191  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.900  -0.014   3.361  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.476   1.312   3.365  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.331   2.006   2.203  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.612   1.380   0.977  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.477   2.039  -0.180  1.00  0.00           N1+
HETATM   31  C   UNL     1      -6.029   3.433  -0.159  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.523   3.478  -0.180  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.821   3.615   1.004  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.756   3.565  -0.219  1.00  0.00           C  
HETATM   35  C   UNL     1       0.439   3.736   0.951  1.00  0.00           C  
HETATM   36  C   UNL     1       1.819   3.776   0.925  1.00  0.00           C  
HETATM   37  C   UNL     1       1.792   3.559  -1.463  1.00  0.00           C  
HETATM   38  C   UNL     1       2.494   3.692  -0.279  1.00  0.00           C  
HETATM   39  C   UNL     1       4.710   1.554  -1.058  1.00  0.00           C  
HETATM   40  C   UNL     1       4.398   1.936  -2.375  1.00  0.00           C  
HETATM   41  C   UNL     1       4.597   1.060  -3.397  1.00  0.00           C  
HETATM   42  C   UNL     1       5.107  -0.214  -3.162  1.00  0.00           C  
HETATM   43  C   UNL     1       5.417  -0.620  -1.898  1.00  0.00           C  
HETATM   44  N   UNL     1       6.049  -1.383   0.785  1.00  0.00           N  
HETATM   45  C   UNL     1       5.136  -2.489   1.087  1.00  0.00           C  
HETATM   46  C   UNL     1       7.430  -1.598   0.781  1.00  0.00           C  
HETATM   47  C   UNL     1       7.939  -2.859   1.063  1.00  0.00           C  
HETATM   48  C   UNL     1       9.304  -3.069   1.058  1.00  0.00           C  
HETATM   49  C   UNL     1      10.165  -2.023   0.773  1.00  0.00           C  
HETATM   50 CL   UNL     1      11.880  -2.289   0.776  1.00  0.00          Cl  
HETATM   51  C   UNL     1       9.660  -0.766   0.492  1.00  0.00           C  
HETATM   52  C   UNL     1       8.296  -0.552   0.490  1.00  0.00           C  
HETATM   53  H   UNL     1      -8.296  -4.500  -0.425  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.646  -6.315  -0.625  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.484  -3.449  -0.640  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.127  -1.628  -0.441  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.895   3.763   1.916  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.943   3.367  -2.350  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.401   3.295  -2.307  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.135   3.414  -2.375  1.00  0.00           H  
HETATM   61  H   UNL     1       4.353   4.427   0.467  1.00  0.00           H  
HETATM   62  H   UNL     1       4.339   4.077  -1.278  1.00  0.00           H  
HETATM   63  H   UNL     1       4.656   2.770   1.992  1.00  0.00           H  
HETATM   64  H   UNL     1       5.554   0.551   2.538  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.483  -2.361   0.785  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.751  -1.405  -0.693  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.379  -3.142  -0.811  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.379  -0.290  -2.381  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.622   2.041  -2.240  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.512  -1.682   2.200  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.008  -0.543   4.297  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.259   1.797   4.305  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.001   3.034   2.224  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.420   3.954  -1.033  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.394   3.919   0.746  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.354   3.689   1.941  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.087   3.803   1.891  1.00  0.00           H  
HETATM   78  H   UNL     1       2.372   3.875   1.848  1.00  0.00           H  
HETATM   79  H   UNL     1       2.324   3.489  -2.400  1.00  0.00           H  
HETATM   80  H   UNL     1       4.001   2.920  -2.574  1.00  0.00           H  
HETATM   81  H   UNL     1       4.355   1.357  -4.407  1.00  0.00           H  
HETATM   82  H   UNL     1       5.256  -0.891  -3.991  1.00  0.00           H  
HETATM   83  H   UNL     1       5.808  -1.612  -1.727  1.00  0.00           H  
HETATM   84  H   UNL     1       4.870  -3.002   0.163  1.00  0.00           H  
HETATM   85  H   UNL     1       5.625  -3.189   1.764  1.00  0.00           H  
HETATM   86  H   UNL     1       4.235  -2.097   1.558  1.00  0.00           H  
HETATM   87  H   UNL     1       7.267  -3.675   1.286  1.00  0.00           H  
HETATM   88  H   UNL     1       9.700  -4.049   1.278  1.00  0.00           H  
HETATM   89  H   UNL     1      10.335   0.049   0.271  1.00  0.00           H  
HETATM   90  H   UNL     1       7.903   0.430   0.270  1.00  0.00           H  
CONECT    1   19    6    6    2                                       
CONECT    2    1    3    3   53                                       
CONECT    3    2    2    4   54                                       
CONECT    4    5    5    3   18                                       
CONECT    5    6    4    4   55                                       
CONECT    6    1    1    5   56                                       
CONECT    7   34   34   33   57                                       
CONECT    8   34    9    9   58                                       
CONECT    9    8    8   32   59                                       
CONECT   10   35   35   11   34                                       
CONECT   11   37   37   10   60                                       
CONECT   12   13   38   61   62                                       
CONECT   13   14   14   39   12                                       
CONECT   14   15   13   13   63                                       
CONECT   15   16   16   14   64                                       
CONECT   16   44   15   15   17                                       
CONECT   17   16   43   43   39                                       
CONECT   18    4                                                      
CONECT   19   21   20    1                                            
CONECT   20   19   65   66   67                                       
CONECT   21   24   24   22   19                                       
CONECT   22   23   23   21   68                                       
CONECT   23   30   22   22   69                                       
CONECT   24   29   25   21   21                                       
CONECT   25   26   26   24   70                                       
CONECT   26   27   25   25   71                                       
CONECT   27   28   28   26   72                                       
CONECT   28   27   27   29   73                                       
CONECT   29   28   30   30   24                                       
CONECT   30   31   29   29   23                                       
CONECT   31   32   30   74   75                                       
CONECT   32   33   33    9   31                                       
CONECT   33    7   32   32   76                                       
CONECT   34   10    7    7    8                                       
CONECT   35   36   10   10   77                                       
CONECT   36   38   38   35   78                                       
CONECT   37   38   11   11   79                                       
CONECT   38   12   36   36   37                                       
CONECT   39   17   13   40   40                                       
CONECT   40   39   39   41   80                                       
CONECT   41   42   42   40   81                                       
CONECT   42   43   41   41   82                                       
CONECT   43   17   17   42   83                                       
CONECT   44   46   16   45                                            
CONECT   45   44   84   85   86                                       
CONECT   46   52   52   47   44                                       
CONECT   47   48   48   46   87                                       
CONECT   48   49   47   47   88                                       
CONECT   49   50   51   51   48                                       
CONECT   50   49                                                      
CONECT   51   49   49   52   89                                       
CONECT   52   51   46   46   90                                       
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   33                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   47                                                      
CONECT   88   48                                                      
CONECT   89   51                                                      
CONECT   90   52                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
