COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.661   1.446  -0.009  1.00  0.00           C  
HETATM    2  C   UNL     1       3.808   0.629  -0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       3.665  -0.783   0.006  1.00  0.00           C  
HETATM    4  C   UNL     1       4.812  -1.600   0.012  1.00  0.00           C  
HETATM    5  C   UNL     1       6.047  -1.038   0.009  1.00  0.00           C  
HETATM    6  C   UNL     1       6.202   0.360   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       5.093   1.191  -0.007  1.00  0.00           C  
HETATM    8  C   UNL     1       7.556   0.947  -0.003  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.308   2.161  -1.249  1.00  0.00           C  
HETATM   10  C   UNL     1       1.426   0.881  -0.006  1.00  0.00           C  
HETATM   11  C   UNL     1       1.273  -0.515  -0.002  1.00  0.00           C  
HETATM   12  C   UNL     1       2.380  -1.344   0.009  1.00  0.00           C  
HETATM   13  O   UNL     1       7.696   2.154  -0.011  1.00  0.00           O  
HETATM   14  O   UNL     1       8.638   0.144   0.003  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.875  -2.747   0.013  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.755   0.697  -1.244  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.524  -0.212  -1.243  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.684   0.069   0.004  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.237   1.532  -0.001  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.468   2.441  -0.002  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.592   0.424   0.007  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.752   0.704   1.254  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.521  -0.205   1.255  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.305   2.167   1.249  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.472  -0.827   0.005  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.629  -2.207   0.009  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.515  -3.035   0.010  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.248  -2.490   0.006  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.087  -1.105   0.002  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.208  -0.275  -0.004  1.00  0.00           C  
HETATM   31  H   UNL     1       2.764   2.521  -0.012  1.00  0.00           H  
HETATM   32  H   UNL     1       4.708  -2.675   0.019  1.00  0.00           H  
HETATM   33  H   UNL     1       6.921  -1.672   0.014  1.00  0.00           H  
HETATM   34  H   UNL     1       5.217   2.264  -0.014  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.712   2.355  -2.140  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.185   2.808  -1.250  1.00  0.00           H  
HETATM   37  H   UNL     1       0.551   1.514  -0.006  1.00  0.00           H  
HETATM   38  H   UNL     1       2.256  -2.417   0.016  1.00  0.00           H  
HETATM   39  H   UNL     1       9.504   0.574   0.001  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.238  -2.906  -0.870  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.353   0.497  -2.133  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.843  -1.254  -1.240  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.928  -0.017  -2.135  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.638   1.732   0.888  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.641   1.727  -0.892  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.149   3.484  -0.005  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.469   1.071   0.006  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.910  -0.619   0.010  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.348   0.509   2.145  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.839  -1.247   1.258  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.922  -0.005   2.144  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.706   2.367   2.138  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.181   2.815   1.249  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.640  -4.108   0.014  1.00  0.00           H  
HETATM   55  H   UNL     1       0.618  -3.134   0.010  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.087   0.798  -0.012  1.00  0.00           H  
CONECT    1    2   10   10   31                                       
CONECT    2    7    3    3    1                                       
CONECT    3    4    2    2   12                                       
CONECT    4    5    5    3   32                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    8    7    7                                       
CONECT    7    6    6    2   34                                       
CONECT    8   13   13    6   14                                       
CONECT    9   16   20   35   36                                       
CONECT   10    1    1   11   37                                       
CONECT   11   12   12   10   29                                       
CONECT   12    3   11   11   38                                       
CONECT   13    8    8                                                 
CONECT   14    8   39                                                 
CONECT   15   26   40                                                 
CONECT   16   17    9   21   41                                       
CONECT   17   18   16   42   43                                       
CONECT   18   25   17   19   23                                       
CONECT   19   18   20   44   45                                       
CONECT   20   19    9   24   46                                       
CONECT   21   16   22   47   48                                       
CONECT   22   23   21   24   49                                       
CONECT   23   18   22   50   51                                       
CONECT   24   20   22   52   53                                       
CONECT   25   30   30   26   18                                       
CONECT   26   27   27   25   15                                       
CONECT   27   28   26   26   54                                       
CONECT   28   29   29   27   55                                       
CONECT   29   11   28   28   30                                       
CONECT   30   29   25   25   56                                       
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
