COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.626  -3.999   0.167  1.00  0.00           O  
HETATM    2  C   UNL     1       4.774  -2.940   0.169  1.00  0.00           C  
HETATM    3  C   UNL     1       4.918  -1.934  -0.778  1.00  0.00           C  
HETATM    4  C   UNL     1       4.055  -0.858  -0.779  1.00  0.00           C  
HETATM    5  C   UNL     1       3.759  -2.869   1.113  1.00  0.00           C  
HETATM    6  C   UNL     1       2.893  -1.796   1.117  1.00  0.00           C  
HETATM    7  C   UNL     1       3.038  -0.781   0.171  1.00  0.00           C  
HETATM    8  C   UNL     1       2.108   0.374   0.173  1.00  0.00           C  
HETATM    9  C   UNL     1       0.672   0.169  -0.123  1.00  0.00           C  
HETATM   10  C   UNL     1       0.276  -0.269  -1.388  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.049  -0.459  -1.663  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.010  -0.215  -0.674  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.435  -0.419  -0.967  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.611   0.224   0.594  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.285   0.408   0.866  1.00  0.00           C  
HETATM   16  C   UNL     1       2.568   1.604   0.441  1.00  0.00           C  
HETATM   17  C   UNL     1       1.636   2.795   0.454  1.00  0.00           C  
HETATM   18  C   UNL     1       2.231   3.889  -0.438  1.00  0.00           C  
HETATM   19  C   UNL     1       3.657   4.199   0.021  1.00  0.00           C  
HETATM   20  C   UNL     1       4.541   2.965  -0.163  1.00  0.00           C  
HETATM   21  C   UNL     1       4.032   1.835   0.746  1.00  0.00           C  
HETATM   22  H   UNL     1       6.415  -3.870   0.711  1.00  0.00           H  
HETATM   23  H   UNL     1       5.707  -1.994  -1.513  1.00  0.00           H  
HETATM   24  H   UNL     1       4.168  -0.076  -1.515  1.00  0.00           H  
HETATM   25  H   UNL     1       3.647  -3.655   1.845  1.00  0.00           H  
HETATM   26  H   UNL     1       2.103  -1.741   1.852  1.00  0.00           H  
HETATM   27  H   UNL     1       1.017  -0.457  -2.151  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.355  -0.797  -2.642  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.743  -0.758  -1.946  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.350   0.409   1.359  1.00  0.00           H  
HETATM   31  H   UNL     1       0.024   0.746   1.844  1.00  0.00           H  
HETATM   32  H   UNL     1       0.660   2.500   0.070  1.00  0.00           H  
HETATM   33  H   UNL     1       1.531   3.167   1.474  1.00  0.00           H  
HETATM   34  H   UNL     1       2.249   3.545  -1.472  1.00  0.00           H  
HETATM   35  H   UNL     1       1.622   4.789  -0.365  1.00  0.00           H  
HETATM   36  H   UNL     1       4.057   5.023  -0.571  1.00  0.00           H  
HETATM   37  H   UNL     1       3.645   4.482   1.073  1.00  0.00           H  
HETATM   38  H   UNL     1       4.506   2.639  -1.202  1.00  0.00           H  
HETATM   39  H   UNL     1       5.568   3.213   0.107  1.00  0.00           H  
HETATM   40  H   UNL     1       4.147   2.122   1.791  1.00  0.00           H  
HETATM   41  H   UNL     1       4.595   0.923   0.549  1.00  0.00           H  
HETATM   42  C   UNL     1      -4.362  -0.183  -0.013  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.779  -0.386  -0.305  1.00  0.00           C  
HETATM   44  O   UNL     1      -6.125  -0.768  -1.406  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.705  -0.151   0.649  1.00  0.00           O  
HETATM   46  C   UNL     1      -8.071  -0.370   0.295  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.966  -0.053   1.494  1.00  0.00           C  
HETATM   48  H   UNL     1      -4.055   0.156   0.965  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.339   0.278  -0.540  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.209  -1.412   0.004  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.009  -0.220   1.224  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.699  -0.701   2.329  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.829   0.989   1.784  1.00  0.00           H  
CONECT    1    2   22                                                 
CONECT    2    5    1    3    3                                       
CONECT    3    2    2    4   23                                       
CONECT    4    7    7    3   24                                       
CONECT    5    6    6    2   25                                       
CONECT    6    5    5    7   26                                       
CONECT    7    6    8    4    4                                       
CONECT    8    7    9   16   16                                       
CONECT    9   15    8   10   10                                       
CONECT   10    9    9   11   27                                       
CONECT   11   12   12   10   28                                       
CONECT   12   13   14   11   11                                       
CONECT   13   12   29   42   42                                       
CONECT   14   15   15   12   30                                       
CONECT   15   14   14    9   31                                       
CONECT   16    8    8   21   17                                       
CONECT   17   16   18   32   33                                       
CONECT   18   19   17   34   35                                       
CONECT   19   20   18   36   37                                       
CONECT   20   21   19   38   39                                       
CONECT   21   20   16   40   41                                       
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   13   13   43   48                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46                                                 
CONECT   46   45   47   49   50                                       
CONECT   47   46   51   52   53                                       
CONECT   48   42                                                      
CONECT   49   46                                                      
CONECT   50   46                                                      
CONECT   51   47                                                      
CONECT   52   47                                                      
CONECT   53   47                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
