COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.502  -0.794  -0.047  1.00  0.00           C  
HETATM    2  C   UNL     1      11.294   0.146  -0.032  1.00  0.00           C  
HETATM    3  C   UNL     1      10.006  -0.679  -0.035  1.00  0.00           C  
HETATM    4  C   UNL     1       8.799   0.261  -0.020  1.00  0.00           C  
HETATM    5  C   UNL     1       7.510  -0.564  -0.024  1.00  0.00           C  
HETATM    6  C   UNL     1       6.303   0.376  -0.009  1.00  0.00           C  
HETATM    7  C   UNL     1       5.014  -0.449  -0.012  1.00  0.00           C  
HETATM    8  C   UNL     1       3.807   0.491   0.003  1.00  0.00           C  
HETATM    9  C   UNL     1       2.518  -0.334  -0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       1.311   0.606   0.015  1.00  0.00           C  
HETATM   11  C   UNL     1       0.023  -0.219   0.011  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.185   0.721   0.026  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.388  -0.050   0.023  1.00  0.00           O  
HETATM   14  P   UNL     1      -3.855   0.615   0.036  1.00  0.00           P  
HETATM   15  O   UNL     1      -3.969   1.535   1.190  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.114  -0.696   0.177  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.499  -0.059   0.315  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.556  -1.159   0.433  1.00  0.00           C  
HETATM   19  N   UNL     1      -8.882  -0.550   0.566  1.00  0.00           N  
HETATM   20  N   UNL     1      -9.678  -0.766  -0.198  1.00  0.00           N1+
HETATM   21  N   UNL     1     -10.474  -0.981  -0.961  1.00  0.00           N1-
HETATM   22  H   UNL     1      13.420  -0.207  -0.045  1.00  0.00           H  
HETATM   23  H   UNL     1      12.476  -1.433   0.836  1.00  0.00           H  
HETATM   24  H   UNL     1      12.469  -1.413  -0.944  1.00  0.00           H  
HETATM   25  H   UNL     1      11.327   0.765   0.865  1.00  0.00           H  
HETATM   26  H   UNL     1      11.320   0.784  -0.915  1.00  0.00           H  
HETATM   27  H   UNL     1       9.973  -1.298  -0.932  1.00  0.00           H  
HETATM   28  H   UNL     1       9.980  -1.317   0.848  1.00  0.00           H  
HETATM   29  H   UNL     1       8.831   0.880   0.876  1.00  0.00           H  
HETATM   30  H   UNL     1       8.824   0.899  -0.903  1.00  0.00           H  
HETATM   31  H   UNL     1       7.477  -1.183  -0.920  1.00  0.00           H  
HETATM   32  H   UNL     1       7.485  -1.202   0.859  1.00  0.00           H  
HETATM   33  H   UNL     1       6.335   0.995   0.888  1.00  0.00           H  
HETATM   34  H   UNL     1       6.328   1.014  -0.892  1.00  0.00           H  
HETATM   35  H   UNL     1       4.981  -1.068  -0.909  1.00  0.00           H  
HETATM   36  H   UNL     1       4.989  -1.087   0.871  1.00  0.00           H  
HETATM   37  H   UNL     1       3.840   1.110   0.900  1.00  0.00           H  
HETATM   38  H   UNL     1       3.832   1.129  -0.880  1.00  0.00           H  
HETATM   39  H   UNL     1       2.486  -0.953  -0.897  1.00  0.00           H  
HETATM   40  H   UNL     1       2.493  -0.972   0.883  1.00  0.00           H  
HETATM   41  H   UNL     1       1.344   1.225   0.911  1.00  0.00           H  
HETATM   42  H   UNL     1       1.336   1.244  -0.868  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.010  -0.838  -0.885  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.003  -0.857   0.894  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.152   1.340   0.923  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.159   1.359  -0.857  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.089  -1.321  -0.715  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.906  -1.307   1.055  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.524   0.566   1.208  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.707   0.552  -0.563  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.531  -1.785  -0.459  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.348  -1.770   1.312  1.00  0.00           H  
HETATM   53  O   UNL     1      -4.084   1.435  -1.329  1.00  0.00           O  
HETATM   54  H   UNL     1      -4.024   0.894  -2.129  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2    1    3   25   26                                       
CONECT    3    2    4   27   28                                       
CONECT    4    3    5   29   30                                       
CONECT    5    4    6   31   32                                       
CONECT    6    5    7   33   34                                       
CONECT    7    6    8   35   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   10   39   40                                       
CONECT   10   11    9   41   42                                       
CONECT   11   12   10   43   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12   14                                                 
CONECT   14   15   15   13   16                                       
CONECT   14   53                                                      
CONECT   15   14   14                                                 
CONECT   16   14   17   47   48                                       
CONECT   17   16   18   49   50                                       
CONECT   18   19   17   51   52                                       
CONECT   19   20   20   18                                            
CONECT   20   21   21   19   19                                       
CONECT   21   20   20                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   14   54                                                 
CONECT   54   53                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
