COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.396  -0.620   0.021  1.00  0.00           C  
HETATM    2  O   UNL     1       5.606  -1.676  -0.526  1.00  0.00           O  
HETATM    3  O   UNL     1       4.135  -0.216   0.242  1.00  0.00           O  
HETATM    4  C   UNL     1       3.073  -1.100  -0.204  1.00  0.00           C  
HETATM    5  C   UNL     1       1.717  -0.477   0.131  1.00  0.00           C  
HETATM    6  C   UNL     1       0.601  -1.462  -0.224  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.657  -0.928   0.195  1.00  0.00           O  
HETATM    8  P   UNL     1      -2.053  -1.701  -0.021  1.00  0.00           P  
HETATM    9  O   UNL     1      -2.215  -2.036  -1.453  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.057  -3.054   0.851  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.268  -0.755   0.450  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.641  -1.115   0.289  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.529   0.003   0.840  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.374   1.206   0.011  1.00  0.00           N1+
HETATM   15  C   UNL     1      -5.642   0.870  -1.394  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.323   2.234   0.458  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.003   1.716   0.140  1.00  0.00           C  
HETATM   18  O   UNL     1       1.544   0.746  -0.633  1.00  0.00           O  
HETATM   19  C   UNL     1       1.977   1.884  -0.068  1.00  0.00           C  
HETATM   20  O   UNL     1       2.484   1.859   1.029  1.00  0.00           O  
HETATM   21  C   UNL     1       1.832   3.192  -0.801  1.00  0.00           C  
HETATM   22  C   UNL     1       2.401   4.324   0.058  1.00  0.00           C  
HETATM   23  H   UNL     1       3.150  -1.246  -1.281  1.00  0.00           H  
HETATM   24  H   UNL     1       3.165  -2.062   0.301  1.00  0.00           H  
HETATM   25  H   UNL     1       1.674  -0.249   1.196  1.00  0.00           H  
HETATM   26  H   UNL     1       0.587  -1.621  -1.303  1.00  0.00           H  
HETATM   27  H   UNL     1       0.780  -2.411   0.281  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.954  -2.910   1.802  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.857  -1.261  -0.770  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.841  -2.039   0.831  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.571  -0.319   0.823  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.235   0.228   1.865  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.659   0.491  -1.490  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.527   1.762  -2.009  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.937   0.107  -1.726  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.341   1.855   0.362  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.125   2.483   1.500  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.208   3.126  -0.158  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.940   2.706  -0.311  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.737   1.780   1.195  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.315   1.041  -0.369  1.00  0.00           H  
HETATM   42  H   UNL     1       2.377   3.143  -1.744  1.00  0.00           H  
HETATM   43  H   UNL     1       0.777   3.382  -0.999  1.00  0.00           H  
HETATM   44  H   UNL     1       2.296   5.270  -0.472  1.00  0.00           H  
HETATM   45  H   UNL     1       1.857   4.373   1.001  1.00  0.00           H  
HETATM   46  H   UNL     1       3.456   4.134   0.257  1.00  0.00           H  
HETATM   47  C   UNL     1       6.551   0.243   0.461  1.00  0.00           C  
HETATM   48  C   UNL     1       7.869  -0.446   0.100  1.00  0.00           C  
HETATM   49  H   UNL     1       6.496   1.208  -0.041  1.00  0.00           H  
HETATM   50  H   UNL     1       6.503   0.391   1.540  1.00  0.00           H  
HETATM   51  H   UNL     1       8.704   0.178   0.418  1.00  0.00           H  
HETATM   52  H   UNL     1       7.924  -1.411   0.602  1.00  0.00           H  
HETATM   53  H   UNL     1       7.917  -0.594  -0.979  1.00  0.00           H  
CONECT    1    3    2    2   47                                       
CONECT    2    1    1                                                 
CONECT    3    4    1                                                 
CONECT    4    5    3   23   24                                       
CONECT    5    6   18    4   25                                       
CONECT    6    7    5   26   27                                       
CONECT    7    8    6                                                 
CONECT    8    9    9   10   11                                       
CONECT    8    7                                                      
CONECT    9    8    8                                                 
CONECT   10    8   28                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   29   30                                       
CONECT   13   14   12   31   32                                       
CONECT   14   17   16   15   13                                       
CONECT   15   14   33   34   35                                       
CONECT   16   14   36   37   38                                       
CONECT   17   14   39   40   41                                       
CONECT   18    5   19                                                 
CONECT   19   18   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   42   43                                       
CONECT   22   21   44   45   46                                       
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28   10                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47    1   48   49   50                                       
CONECT   48   47   51   52   53                                       
CONECT   49   47                                                      
CONECT   50   47                                                      
CONECT   51   48                                                      
CONECT   52   48                                                      
CONECT   53   48                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
