COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.217   1.431  -0.012  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.945   0.347  -0.174  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.175   0.364   2.241  1.00  0.00           C  
HETATM    4  C   UNL     1       8.594   1.178   0.026  1.00  0.00           C  
HETATM    5  C   UNL     1       9.097   1.992   2.340  1.00  0.00           C  
HETATM    6  C   UNL     1       5.873   1.444   0.448  1.00  0.00           C  
HETATM    7  C   UNL     1       7.704   0.851  -0.981  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.186   2.188  -0.395  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.170   3.191  -0.422  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.804   4.419  -0.974  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.533   4.650  -1.476  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.555   3.689  -1.464  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.889   2.440  -0.918  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.140   1.259  -0.761  1.00  0.00           C  
HETATM   15  C   UNL     1       1.294   1.051  -1.172  1.00  0.00           C  
HETATM   16  C   UNL     1       3.674   1.219  -0.429  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.671  -1.052   0.198  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.105  -1.327   0.405  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.266   0.158   0.728  1.00  0.00           C  
HETATM   20  C   UNL     1       8.125   1.637   1.245  1.00  0.00           C  
HETATM   21  C   UNL     1       6.767   1.770   1.457  1.00  0.00           C  
HETATM   22  C   UNL     1       6.345   0.983  -0.773  1.00  0.00           C  
HETATM   23  C   UNL     1       8.218   0.352  -2.307  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.964   1.827  -0.042  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.576   2.384  -0.562  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.550   1.885  -1.984  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.535   2.955   0.111  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.991   3.278   1.404  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.176   3.927   2.493  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.955  -5.292   3.979  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.357  -3.305   2.485  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.514  -3.050   1.172  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.410  -4.338   0.474  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.188  -5.307   1.472  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.045  -6.647   1.112  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.119  -7.018  -0.197  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.339  -6.062  -1.200  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.416  -6.481  -2.612  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.485  -4.720  -0.863  1.00  0.00           C  
HETATM   40  N   UNL     1      -1.735  -1.794   0.583  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.198   0.916   0.065  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.634   2.353   0.274  1.00  0.00           N  
HETATM   43  N   UNL     1      -6.244   2.917   1.495  1.00  0.00           N  
HETATM   44  N   UNL     1      -1.162  -4.651   2.678  1.00  0.00           N  
HETATM   45  O   UNL     1       4.536   1.574   0.654  1.00  0.00           O  
HETATM   46  O   UNL     1       0.453  -1.516   0.161  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.275  -7.780  -2.939  1.00  0.00           O  
HETATM   48  O   UNL     1      -1.606  -5.653  -3.481  1.00  0.00           O  
HETATM   49 CL   UNL     1      -3.977   5.696  -1.035  1.00  0.00          Cl  
HETATM   50 CL   UNL     1      10.302   1.004  -0.235  1.00  0.00          Cl  
HETATM   51  H   UNL     1       2.062   2.478   0.248  1.00  0.00           H  
HETATM   52  H   UNL     1       1.992   0.805   0.852  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.243  -0.064   2.611  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.198   1.431   2.464  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.018  -0.127   2.726  1.00  0.00           H  
HETATM   56  H   UNL     1       9.372   3.043   2.256  1.00  0.00           H  
HETATM   57  H   UNL     1       8.632   1.815   3.310  1.00  0.00           H  
HETATM   58  H   UNL     1       9.991   1.375   2.248  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.305   5.621  -1.890  1.00  0.00           H  
HETATM   60  H   UNL     1       0.431   3.885  -1.859  1.00  0.00           H  
HETATM   61  H   UNL     1       1.520   1.677  -2.035  1.00  0.00           H  
HETATM   62  H   UNL     1       1.450   0.004  -1.431  1.00  0.00           H  
HETATM   63  H   UNL     1       3.829   0.172  -0.689  1.00  0.00           H  
HETATM   64  H   UNL     1       3.899   1.845  -1.292  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.761  -1.903   1.058  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.402  -1.496  -0.630  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.235   0.505   0.371  1.00  0.00           H  
HETATM   68  H   UNL     1       6.401   2.129   2.407  1.00  0.00           H  
HETATM   69  H   UNL     1       5.650   0.728  -1.560  1.00  0.00           H  
HETATM   70  H   UNL     1       8.302  -0.735  -2.278  1.00  0.00           H  
HETATM   71  H   UNL     1       7.526   0.642  -3.098  1.00  0.00           H  
HETATM   72  H   UNL     1       9.198   0.787  -2.504  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.005   0.767   0.210  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.715   2.367   0.534  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.161   1.954  -1.107  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.747   2.714  -2.663  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.570   1.461  -2.202  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.315   1.119  -2.114  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.271   5.011   2.421  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.538   3.595   3.465  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.129   3.646   2.380  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.918  -5.585   4.397  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.329  -6.176   3.853  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.463  -4.592   4.655  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.378  -2.562   3.269  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.875  -7.393   1.874  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.006  -8.058  -0.465  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.655  -3.980  -1.632  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.333  -8.006  -3.877  1.00  0.00           H  
CONECT    1   16   15   51   52                                       
CONECT    2   14   14   41   17                                       
CONECT    3   19   53   54   55                                       
CONECT    4   50   20   20    7                                       
CONECT    5   20   56   57   58                                       
CONECT    6   21   21   22   45                                       
CONECT    7    4   23   22   22                                       
CONECT    8   13   13    9   41                                       
CONECT    9   10   10    8   27                                       
CONECT   10   11   49    9    9                                       
CONECT   11   12   12   10   59                                       
CONECT   12   11   11   13   60                                       
CONECT   13   12   14    8    8                                       
CONECT   14   15   13    2    2                                       
CONECT   15    1   14   61   62                                       
CONECT   16   45    1   63   64                                       
CONECT   17    2   46   46   40                                       
CONECT   18   19   40   65   66                                       
CONECT   19   41    3   18   67                                       
CONECT   20    5    4    4   21                                       
CONECT   21   20    6    6   68                                       
CONECT   22    7    7    6   69                                       
CONECT   23    7   70   71   72                                       
CONECT   24   42   73   74   75                                       
CONECT   25   26   27   27   42                                       
CONECT   26   25   76   77   78                                       
CONECT   27    9   25   25   28                                       
CONECT   28   27   29   43   43                                       
CONECT   29   28   79   80   81                                       
CONECT   30   44   82   83   84                                       
CONECT   31   32   32   44   85                                       
CONECT   32   40   31   31   33                                       
CONECT   33   32   34   34   39                                       
CONECT   34   44   33   33   35                                       
CONECT   35   34   36   36   86                                       
CONECT   36   35   35   37   87                                       
CONECT   37   39   39   36   38                                       
CONECT   38   48   48   37   47                                       
CONECT   39   33   37   37   88                                       
CONECT   40   17   18   32                                            
CONECT   41    8    2   19                                            
CONECT   42   25   24   43                                            
CONECT   43   28   28   42                                            
CONECT   44   31   30   34                                            
CONECT   45    6   16                                                 
CONECT   46   17   17                                                 
CONECT   47   38   89                                                 
CONECT   48   38   38                                                 
CONECT   49   10                                                      
CONECT   50    4                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   39                                                      
CONECT   89   47                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
