COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.403  -2.276  -1.460  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.186  -1.637  -0.087  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.176  -2.467   0.708  1.00  0.00           C  
HETATM    4  C   UNL     1       0.187  -2.412   0.015  1.00  0.00           C  
HETATM    5  C   UNL     1       1.197  -3.242   0.810  1.00  0.00           C  
HETATM    6  N   UNL     1       2.506  -3.189   0.146  1.00  0.00           N  
HETATM    7  C   UNL     1       3.438  -4.156   0.739  1.00  0.00           C  
HETATM    8  C   UNL     1       4.724  -4.199  -0.093  1.00  0.00           C  
HETATM    9  N   UNL     1       5.246  -2.829  -0.217  1.00  0.00           N  
HETATM   10  C   UNL     1       6.529  -2.548   0.082  1.00  0.00           C  
HETATM   11  O   UNL     1       7.273  -3.431   0.461  1.00  0.00           O  
HETATM   12  O   UNL     1       6.988  -1.288  -0.038  1.00  0.00           O  
HETATM   13  C   UNL     1       8.381  -1.058   0.302  1.00  0.00           C  
HETATM   14  C   UNL     1       8.711   0.399   0.107  1.00  0.00           C  
HETATM   15  C   UNL     1       8.550   1.290   1.152  1.00  0.00           C  
HETATM   16  C   UNL     1       8.853   2.628   0.974  1.00  0.00           C  
HETATM   17 CL   UNL     1       8.649   3.746   2.286  1.00  0.00          Cl  
HETATM   18  C   UNL     1       9.318   3.075  -0.250  1.00  0.00           C  
HETATM   19  C   UNL     1       9.480   2.183  -1.295  1.00  0.00           C  
HETATM   20 CL   UNL     1      10.064   2.743  -2.831  1.00  0.00          Cl  
HETATM   21  C   UNL     1       9.182   0.844  -1.114  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.515  -1.590   0.670  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.323  -0.912   2.049  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.298   0.296   2.083  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.374  -0.102   1.067  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.181   1.039   0.477  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.001   1.730   1.567  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.120   2.289   2.544  1.00  0.00           O  
HETATM   29  C   UNL     1      -7.843   2.845   0.942  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.787   2.248  -0.103  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.713   1.231   0.567  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.658   0.634  -0.477  1.00  0.00           C  
HETATM   33  O   UNL     1     -11.521  -0.317   0.150  1.00  0.00           O  
HETATM   34  C   UNL     1      -9.840  -0.061  -1.567  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.914   0.956  -2.238  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.969   1.551  -1.192  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.040   2.566  -1.863  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.137   0.432  -0.563  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.379  -0.328  -1.646  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.457  -1.399  -1.039  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.516  -0.712  -0.075  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.778   0.421  -0.791  1.00  0.00           C  
HETATM   43  C   UNL     1       3.058  -1.828   0.178  1.00  0.00           C  
HETATM   44  C   UNL     1       4.329  -1.775  -0.677  1.00  0.00           C  
HETATM   45  H   UNL     1      -1.456  -2.310  -1.999  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.785  -3.289  -1.333  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.122  -1.685  -2.026  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.804  -0.624  -0.214  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.088  -2.064   1.717  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.516  -3.502   0.759  1.00  0.00           H  
HETATM   51  H   UNL     1       0.099  -2.815  -0.993  1.00  0.00           H  
HETATM   52  H   UNL     1       0.527  -1.377  -0.035  1.00  0.00           H  
HETATM   53  H   UNL     1       1.286  -2.838   1.819  1.00  0.00           H  
HETATM   54  H   UNL     1       0.858  -4.276   0.861  1.00  0.00           H  
HETATM   55  H   UNL     1       3.675  -3.855   1.760  1.00  0.00           H  
HETATM   56  H   UNL     1       2.978  -5.145   0.750  1.00  0.00           H  
HETATM   57  H   UNL     1       5.462  -4.828   0.406  1.00  0.00           H  
HETATM   58  H   UNL     1       4.507  -4.603  -1.082  1.00  0.00           H  
HETATM   59  H   UNL     1       8.551  -1.334   1.342  1.00  0.00           H  
HETATM   60  H   UNL     1       9.017  -1.664  -0.343  1.00  0.00           H  
HETATM   61  H   UNL     1       8.186   0.941   2.107  1.00  0.00           H  
HETATM   62  H   UNL     1       9.550   4.120  -0.391  1.00  0.00           H  
HETATM   63  H   UNL     1       9.308   0.148  -1.930  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.913  -2.596   0.795  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.568  -1.613   2.848  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.295  -0.567   2.157  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.731   0.415   3.076  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.791   1.210   1.774  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.036  -0.856   1.491  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.512   1.759   0.007  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.658   1.003   2.045  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.572   2.744   3.267  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.427   3.338   1.720  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.186   3.572   0.465  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.384   3.043  -0.550  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.116   0.435   1.013  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.296   1.726   1.344  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.256   1.429  -0.923  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.149  -0.736  -0.455  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.243  -0.857  -1.122  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.513  -0.486  -2.312  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.332   0.461  -3.015  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.511   1.753  -2.682  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.635   3.363  -2.310  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.367   2.990  -1.118  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.458   2.069  -2.638  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.807  -0.265  -0.060  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.096  -0.810  -2.311  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.778   0.376  -2.221  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.051  -2.135  -0.497  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.888  -1.889  -1.828  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.503   1.115  -1.216  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.143   0.948  -0.079  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.162   0.006  -1.589  1.00  0.00           H  
HETATM   95  H   UNL     1       2.324  -1.127  -0.218  1.00  0.00           H  
HETATM   96  H   UNL     1       3.300  -1.558   1.207  1.00  0.00           H  
HETATM   97  H   UNL     1       4.806  -0.801  -0.564  1.00  0.00           H  
HETATM   98  H   UNL     1       4.073  -1.942  -1.723  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1   22    3   48                                       
CONECT    3    2    4   49   50                                       
CONECT    4    3    5   51   52                                       
CONECT    5    4    6   53   54                                       
CONECT    6   43    5    7                                            
CONECT    7    6    8   55   56                                       
CONECT    8    9    7   57   58                                       
CONECT    9   44   10    8                                            
CONECT   10   12    9   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   10                                                 
CONECT   13   14   12   59   60                                       
CONECT   14   21   21   15   13                                       
CONECT   15   16   16   14   61                                       
CONECT   16   17   18   15   15                                       
CONECT   17   16                                                      
CONECT   18   19   19   16   62                                       
CONECT   19   20   18   18   21                                       
CONECT   20   19                                                      
CONECT   21   19   14   14   63                                       
CONECT   22   41    2   23   64                                       
CONECT   23   22   24   65   66                                       
CONECT   24   25   23   67   68                                       
CONECT   25   41   26   24   69                                       
CONECT   26   38   25   27   70                                       
CONECT   27   29   26   28   71                                       
CONECT   28   27   72                                                 
CONECT   29   30   27   73   74                                       
CONECT   30   36   31   29   75                                       
CONECT   31   32   30   76   77                                       
CONECT   32   34   33   31   78                                       
CONECT   33   32   79                                                 
CONECT   34   35   32   80   81                                       
CONECT   35   34   36   82   83                                       
CONECT   36   35   37   30   38                                       
CONECT   37   36   84   85   86                                       
CONECT   38   36   39   26   87                                       
CONECT   39   38   40   88   89                                       
CONECT   40   39   41   90   91                                       
CONECT   41   40   42   25   22                                       
CONECT   42   41   92   93   94                                       
CONECT   43   44    6   95   96                                       
CONECT   44   43    9   97   98                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   15                                                      
CONECT   62   18                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
