COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.857   1.640   0.290  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.194   1.669   2.155  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.251   0.827   1.437  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.353   0.440   2.425  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.146   1.075   1.029  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.510   2.466   1.005  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.071   3.259  -0.178  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.796   2.490  -1.474  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.424   1.098  -1.378  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.682  -0.108  -0.115  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.379  -0.043  -1.449  1.00  0.00           C  
HETATM   12  C   UNL     1       4.589  -2.620   1.339  1.00  0.00           C  
HETATM   13  C   UNL     1       0.609  -1.023  -1.306  1.00  0.00           C  
HETATM   14 CL   UNL     1       6.522  -0.331  -2.184  1.00  0.00          Cl  
HETATM   15  C   UNL     1       0.062  -1.764  -0.260  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.400  -2.009  -0.204  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.899  -3.306  -0.157  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.197  -3.526  -0.102  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.075  -2.539  -0.088  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.667  -1.222  -0.132  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.305  -0.934  -0.191  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.546  -2.857  -0.024  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.854   0.380  -0.231  1.00  0.00           N  
HETATM   24  O   UNL     1      -4.684   0.266  -2.555  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.563  -0.270  -1.524  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.643  -0.355   0.913  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.395   4.630  -0.243  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.580   3.441  -0.002  1.00  0.00           C  
HETATM   29  C   UNL     1       1.969  -0.803  -1.349  1.00  0.00           C  
HETATM   30  C   UNL     1       2.799  -1.314  -0.361  1.00  0.00           C  
HETATM   31  C   UNL     1       2.261  -2.046   0.678  1.00  0.00           C  
HETATM   32  C   UNL     1       0.896  -2.274   0.730  1.00  0.00           C  
HETATM   33  C   UNL     1       4.278  -1.048  -0.461  1.00  0.00           C  
HETATM   34  N   UNL     1       4.931  -1.283   0.830  1.00  0.00           N  
HETATM   35  C   UNL     1       3.124  -2.610   1.778  1.00  0.00           C  
HETATM   36  C   UNL     1       6.387  -1.119   0.720  1.00  0.00           C  
HETATM   37  C   UNL     1       6.710   0.326   0.435  1.00  0.00           C  
HETATM   38  C   UNL     1       6.788   0.773  -0.871  1.00  0.00           C  
HETATM   39  C   UNL     1       7.078   2.100  -1.132  1.00  0.00           C  
HETATM   40  C   UNL     1       7.291   2.979  -0.086  1.00  0.00           C  
HETATM   41  C   UNL     1       7.213   2.531   1.220  1.00  0.00           C  
HETATM   42  C   UNL     1       6.922   1.205   1.480  1.00  0.00           C  
HETATM   43  C   UNL     1       6.831   0.720   2.904  1.00  0.00           C  
HETATM   44  H   UNL     1      -6.072   1.916  -0.414  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.610   1.040  -0.221  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.321   2.542   0.690  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.682   2.478   2.698  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.645   1.041   2.856  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.504   2.087   1.423  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.106  -0.160   1.913  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.921  -0.139   3.242  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.816   1.342   2.824  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.738   0.503   1.862  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.225   1.171   1.149  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.740   2.988   1.934  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.429   2.370   0.900  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.231   3.028  -2.316  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.720   2.394  -1.619  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.502   1.194  -1.247  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.218   0.543  -2.293  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.178   0.839   0.078  1.00  0.00           H  
HETATM   62  H   UNL     1       4.729  -3.359   0.550  1.00  0.00           H  
HETATM   63  H   UNL     1       5.227  -2.864   2.187  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.030  -0.622  -2.079  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.215  -4.143  -0.167  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.861  -2.912   1.019  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.110  -2.074  -0.532  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.733  -3.814  -0.510  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.174   0.295  -3.388  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.589   5.174   0.681  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.320   4.499  -0.368  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.793   5.192  -1.087  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.776   3.973   0.928  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.977   4.015  -0.840  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.062   2.464   0.030  1.00  0.00           H  
HETATM   76  H   UNL     1       2.393  -0.229  -2.160  1.00  0.00           H  
HETATM   77  H   UNL     1       0.478  -2.850   1.543  1.00  0.00           H  
HETATM   78  H   UNL     1       4.713  -1.710  -1.210  1.00  0.00           H  
HETATM   79  H   UNL     1       4.437  -0.012  -0.762  1.00  0.00           H  
HETATM   80  H   UNL     1       2.805  -3.628   2.001  1.00  0.00           H  
HETATM   81  H   UNL     1       3.019  -1.996   2.673  1.00  0.00           H  
HETATM   82  H   UNL     1       6.858  -1.419   1.656  1.00  0.00           H  
HETATM   83  H   UNL     1       6.763  -1.741  -0.092  1.00  0.00           H  
HETATM   84  H   UNL     1       7.140   2.450  -2.151  1.00  0.00           H  
HETATM   85  H   UNL     1       7.517   4.015  -0.289  1.00  0.00           H  
HETATM   86  H   UNL     1       7.379   3.218   2.037  1.00  0.00           H  
HETATM   87  H   UNL     1       7.811   0.376   3.234  1.00  0.00           H  
HETATM   88  H   UNL     1       6.497   1.536   3.546  1.00  0.00           H  
HETATM   89  H   UNL     1       6.119  -0.103   2.963  1.00  0.00           H  
CONECT    1    3   44   45   46                                       
CONECT    2    3   47   48   49                                       
CONECT    3    2    1    4   26                                       
CONECT    4    3   50   51   52                                       
CONECT    5   23    6   53   54                                       
CONECT    6    7    5   55   56                                       
CONECT    7    8   27   28    6                                       
CONECT    8    9    7   57   58                                       
CONECT    9    8   23   59   60                                       
CONECT   10   26   20   11   61                                       
CONECT   11   10   24   25   25                                       
CONECT   12   35   34   62   63                                       
CONECT   13   15   15   29   64                                       
CONECT   14   38                                                      
CONECT   15   32   16   13   13                                       
CONECT   16   17   21   21   15                                       
CONECT   17   18   18   16   65                                       
CONECT   18   17   17   19                                            
CONECT   19   18   22   20   20                                       
CONECT   20   19   19   21   10                                       
CONECT   21   16   16   20   23                                       
CONECT   22   19   66   67   68                                       
CONECT   23    9   21    5                                            
CONECT   24   11   69                                                 
CONECT   25   11   11                                                 
CONECT   26    3   10                                                 
CONECT   27    7   70   71   72                                       
CONECT   28    7   73   74   75                                       
CONECT   29   30   30   13   76                                       
CONECT   30   31   33   29   29                                       
CONECT   31   35   32   32   30                                       
CONECT   32   31   31   15   77                                       
CONECT   33   34   30   78   79                                       
CONECT   34   12   36   33                                            
CONECT   35   12   31   80   81                                       
CONECT   36   37   34   82   83                                       
CONECT   37   38   38   42   36                                       
CONECT   38   39   14   37   37                                       
CONECT   39   40   40   38   84                                       
CONECT   40   39   39   41   85                                       
CONECT   41   40   42   42   86                                       
CONECT   42   41   41   37   43                                       
CONECT   43   42   87   88   89                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   17                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
