COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.739  -0.875   0.386  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.540  -0.441  -0.157  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.138   1.915   0.225  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.815   0.315  -0.618  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.993  -0.091   0.229  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.884  -1.224  -0.212  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.657   2.537  -1.688  1.00  0.00           C  
HETATM    8  C   UNL     1       3.371  -1.461  -0.828  1.00  0.00           C  
HETATM    9  C   UNL     1       4.501  -1.019  -1.360  1.00  0.00           C  
HETATM   10  C   UNL     1       5.195   0.129  -0.754  1.00  0.00           C  
HETATM   11  C   UNL     1       4.549   0.828   0.368  1.00  0.00           C  
HETATM   12  C   UNL     1       3.401   0.385   0.867  1.00  0.00           C  
HETATM   13  C   UNL     1       2.720   1.173   1.969  1.00  0.00           C  
HETATM   14  C   UNL     1       1.302   1.530   1.510  1.00  0.00           C  
HETATM   15  C   UNL     1       0.535   0.252   1.165  1.00  0.00           C  
HETATM   16  C   UNL     1       1.280  -0.546   0.129  1.00  0.00           C  
HETATM   17  C   UNL     1       0.755  -0.926  -0.996  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.647  -0.585  -1.394  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.905   0.536   0.868  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.572   1.807  -0.346  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.863  -1.792   0.484  1.00  0.00           C  
HETATM   22  C   UNL     1       2.806  -1.911   1.509  1.00  0.00           C  
HETATM   23  O   UNL     1       6.279   0.492  -1.171  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.081   0.034  -1.994  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.223   0.491   1.262  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.922  -1.416   0.752  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.082   2.703   0.975  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.417   2.093  -0.573  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.326  -0.983  -1.179  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.295  -2.137  -0.299  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.939   2.104  -2.384  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.664   2.433  -2.094  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.431   3.593  -1.542  1.00  0.00           H  
HETATM   34  H   UNL     1       2.878  -2.296  -1.304  1.00  0.00           H  
HETATM   35  H   UNL     1       4.911  -1.500  -2.235  1.00  0.00           H  
HETATM   36  H   UNL     1       5.006   1.715   0.782  1.00  0.00           H  
HETATM   37  H   UNL     1       2.670   0.567   2.874  1.00  0.00           H  
HETATM   38  H   UNL     1       3.283   2.084   2.170  1.00  0.00           H  
HETATM   39  H   UNL     1       0.785   2.060   2.309  1.00  0.00           H  
HETATM   40  H   UNL     1       1.357   2.169   0.628  1.00  0.00           H  
HETATM   41  H   UNL     1       0.545  -0.369   2.061  1.00  0.00           H  
HETATM   42  H   UNL     1       1.357  -1.514  -1.674  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.043  -1.375  -2.032  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.644   0.354  -1.947  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.466   0.492   1.801  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.286   2.234   0.357  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.937  -2.285   0.780  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.490  -1.637   1.362  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.393  -2.417  -0.235  1.00  0.00           H  
HETATM   50  H   UNL     1       3.847  -2.160   1.713  1.00  0.00           H  
HETATM   51  H   UNL     1       2.348  -1.501   2.409  1.00  0.00           H  
HETATM   52  H   UNL     1       2.270  -2.811   1.206  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.859   0.489  -2.345  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.534  -2.131   0.532  1.00  0.00           H  
CONECT    1   12   16   22    8                                       
CONECT    2    4   19   21   18                                       
CONECT    3   20   19   27   28                                       
CONECT    4   20   24    5    2                                       
CONECT    5    4   25   25    6                                       
CONECT    6    5   26   29   30                                       
CONECT    7   20   31   32   33                                       
CONECT    8    1    9    9   34                                       
CONECT    9   10    8    8   35                                       
CONECT   10   11   23   23    9                                       
CONECT   11   12   12   10   36                                       
CONECT   12   13   11   11    1                                       
CONECT   13   14   12   37   38                                       
CONECT   14   13   15   39   40                                       
CONECT   15   14   19   16   41                                       
CONECT   16   15   17   17    1                                       
CONECT   17   18   16   16   42                                       
CONECT   18    2   17   43   44                                       
CONECT   19    3   15    2   45                                       
CONECT   20    7    3    4   46                                       
CONECT   21    2   47   48   49                                       
CONECT   22    1   50   51   52                                       
CONECT   23   10   10                                                 
CONECT   24    4   53                                                 
CONECT   25    5    5                                                 
CONECT   26    6   54                                                 
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
