COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.309   3.109   2.030  1.00  0.00           C  
HETATM    2  C   UNL     1       1.926   5.052   0.485  1.00  0.00           C  
HETATM    3  C   UNL     1       0.503   4.950  -0.059  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.391   6.361  -0.514  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.639   6.109   0.336  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.801   5.065   0.282  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.643   4.078  -0.529  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.818   1.992  -0.363  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.116   0.661  -0.250  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.822  -0.456  -0.169  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.179  -1.780  -0.052  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.958  -2.932   0.108  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.078  -4.286   0.227  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.237  -3.186   0.043  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.781  -1.927  -0.091  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.835  -3.730   0.033  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.924  -3.041   1.044  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.867  -2.303   0.257  1.00  0.00           C  
HETATM   19  C   UNL     1       0.126  -1.434   0.677  1.00  0.00           C  
HETATM   20  C   UNL     1       0.991  -0.871  -0.267  1.00  0.00           C  
HETATM   21  C   UNL     1       0.834  -1.226  -1.610  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.983  -2.589  -1.089  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.153  -3.520  -1.319  1.00  0.00           C  
HETATM   24  C   UNL     1       2.030   0.085   0.177  1.00  0.00           C  
HETATM   25  C   UNL     1       3.748   1.775  -0.409  1.00  0.00           C  
HETATM   26  C   UNL     1       4.646   1.476   0.777  1.00  0.00           C  
HETATM   27  C   UNL     1       5.418   0.209   0.516  1.00  0.00           C  
HETATM   28  C   UNL     1       4.883  -1.015   0.899  1.00  0.00           C  
HETATM   29  C   UNL     1       5.562  -2.178   0.673  1.00  0.00           C  
HETATM   30  C   UNL     1       6.808  -2.143   0.052  1.00  0.00           C  
HETATM   31  C   UNL     1       8.644  -1.197  -0.951  1.00  0.00           C  
HETATM   32  C   UNL     1       7.353  -0.904  -0.338  1.00  0.00           C  
HETATM   33  C   UNL     1       6.634   0.273  -0.100  1.00  0.00           C  
HETATM   34  C   UNL     1       4.966  -3.495   1.097  1.00  0.00           C  
HETATM   35  C   UNL     1       3.038   3.089  -0.346  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.998  -5.197   0.334  1.00  0.00           C  
HETATM   37  N   UNL     1       2.463   3.689   0.697  1.00  0.00           N  
HETATM   38  N   UNL     1      -6.394  -4.113   0.242  1.00  0.00           N  
HETATM   39  N   UNL     1      -0.134  -2.052  -1.954  1.00  0.00           N  
HETATM   40  N   UNL     1       2.816   0.685  -0.736  1.00  0.00           N  
HETATM   41  N   UNL     1       7.717  -3.103  -0.308  1.00  0.00           N  
HETATM   42  N   UNL     1       8.818  -2.488  -0.913  1.00  0.00           N  
HETATM   43  N   UNL     1      -4.321  -5.445   0.394  1.00  0.00           N  
HETATM   44  O   UNL     1      -0.223   6.132   0.277  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.563   5.299  -0.393  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.042   2.989   0.302  1.00  0.00           O  
HETATM   47  O   UNL     1       2.132   0.287   1.369  1.00  0.00           O  
HETATM   48  O   UNL     1       2.964   3.713  -1.414  1.00  0.00           O  
HETATM   49  O   UNL     1      -2.106  -6.003   0.492  1.00  0.00           O  
HETATM   50  H   UNL     1       3.283   2.793   2.403  1.00  0.00           H  
HETATM   51  H   UNL     1       1.887   3.855   2.703  1.00  0.00           H  
HETATM   52  H   UNL     1       1.643   2.248   1.977  1.00  0.00           H  
HETATM   53  H   UNL     1       2.558   5.578  -0.225  1.00  0.00           H  
HETATM   54  H   UNL     1       1.919   5.578   1.438  1.00  0.00           H  
HETATM   55  H   UNL     1       0.535   4.840  -1.144  1.00  0.00           H  
HETATM   56  H   UNL     1       0.004   4.084   0.377  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.391   5.683  -1.368  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.394   7.391  -0.868  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.354   5.597   1.255  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.108   7.061   0.582  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.343   6.006   0.384  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.605   4.649   1.270  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.528   4.586  -0.913  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.052   3.700  -1.364  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.930   2.256  -1.414  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.801   1.924   0.103  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.038   0.610  -0.233  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.911  -0.387  -0.188  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.035  -2.848   0.127  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.138  -1.069  -0.226  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.500  -2.335   1.643  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.457  -3.782   1.691  1.00  0.00           H  
HETATM   73  H   UNL     1       0.230  -1.195   1.725  1.00  0.00           H  
HETATM   74  H   UNL     1       1.492  -0.824  -2.365  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.798  -4.474  -1.708  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.853  -3.069  -2.022  1.00  0.00           H  
HETATM   77  H   UNL     1       4.438   1.849  -1.295  1.00  0.00           H  
HETATM   78  H   UNL     1       5.341   2.302   0.923  1.00  0.00           H  
HETATM   79  H   UNL     1       4.036   1.352   1.672  1.00  0.00           H  
HETATM   80  H   UNL     1       3.917  -1.047   1.382  1.00  0.00           H  
HETATM   81  H   UNL     1       9.332  -0.474  -1.362  1.00  0.00           H  
HETATM   82  H   UNL     1       7.041   1.228  -0.399  1.00  0.00           H  
HETATM   83  H   UNL     1       4.367  -3.901   0.282  1.00  0.00           H  
HETATM   84  H   UNL     1       5.766  -4.194   1.342  1.00  0.00           H  
HETATM   85  H   UNL     1       4.334  -3.344   1.972  1.00  0.00           H  
HETATM   86  H   UNL     1       2.767   0.373  -1.674  1.00  0.00           H  
HETATM   87  H   UNL     1       7.614  -4.057  -0.164  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.702  -6.325   0.536  1.00  0.00           H  
CONECT    1   37   50   51   52                                       
CONECT    2    3   37   53   54                                       
CONECT    3   44    2   55   56                                       
CONECT    4    5   44   57   58                                       
CONECT    5   45    4   59   60                                       
CONECT    6    7   45   61   62                                       
CONECT    7   46    6   63   64                                       
CONECT    8    9   46   65   66                                       
CONECT    9   10   10    8   67                                       
CONECT   10   11    9    9   68                                       
CONECT   11   12   12   15   10                                       
CONECT   12   38   11   11   69                                       
CONECT   13   43   38   38   14                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14   11   70                                       
CONECT   16   36   17   14   23                                       
CONECT   17   16   18   71   72                                       
CONECT   18   17   22   22   19                                       
CONECT   19   18   20   20   73                                       
CONECT   20   19   19   21   24                                       
CONECT   21   39   39   20   74                                       
CONECT   22   23   18   18   39                                       
CONECT   23   16   22   75   76                                       
CONECT   24   20   40   47   47                                       
CONECT   25   40   26   35   77                                       
CONECT   26   25   27   78   79                                       
CONECT   27   26   33   33   28                                       
CONECT   28   27   29   29   80                                       
CONECT   29   28   28   30   34                                       
CONECT   30   32   32   29   41                                       
CONECT   31   32   42   42   81                                       
CONECT   32   33   31   30   30                                       
CONECT   33   27   27   32   82                                       
CONECT   34   29   83   84   85                                       
CONECT   35   48   48   25   37                                       
CONECT   36   43   49   49   16                                       
CONECT   37   35    2    1                                            
CONECT   38   13   13   12                                            
CONECT   39   22   21   21                                            
CONECT   40   24   25   86                                            
CONECT   41   30   42   87                                            
CONECT   42   31   31   41                                            
CONECT   43   36   13   88                                            
CONECT   44    4    3                                                 
CONECT   45    6    5                                                 
CONECT   46    8    7                                                 
CONECT   47   24   24                                                 
CONECT   48   35   35                                                 
CONECT   49   36   36                                                 
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   12                                                      
CONECT   70   15                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   19                                                      
CONECT   74   21                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   28                                                      
CONECT   81   31                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   43                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
