COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.984   2.385   1.667  1.00  0.00           N1+
HETATM    2  C   UNL     1       5.236   1.205   1.177  1.00  0.00           C  
HETATM    3  O   UNL     1       7.085   2.242   2.169  1.00  0.00           O  
HETATM    4  C   UNL     1       5.660  -0.071   1.229  1.00  0.00           C  
HETATM    5  C   UNL     1       3.591   3.104  -0.968  1.00  0.00           C  
HETATM    6  C   UNL     1       2.303   3.881  -1.336  1.00  0.00           C  
HETATM    7  C   UNL     1       1.194   3.176  -0.532  1.00  0.00           C  
HETATM    8  C   UNL     1       0.118   2.647  -1.482  1.00  0.00           C  
HETATM    9  C   UNL     1       4.642  -0.878   0.655  1.00  0.00           C  
HETATM   10  C   UNL     1       4.668  -2.301   0.503  1.00  0.00           C  
HETATM   11  C   UNL     1       4.690  -3.468   0.379  1.00  0.00           C  
HETATM   12  C   UNL     1       4.717  -4.932   0.222  1.00  0.00           C  
HETATM   13  C   UNL     1       3.421  -5.398  -0.443  1.00  0.00           C  
HETATM   14  C   UNL     1       3.394  -6.927  -0.492  1.00  0.00           C  
HETATM   15  C   UNL     1       3.635  -0.041   0.278  1.00  0.00           C  
HETATM   16  C   UNL     1       3.193   2.431   0.370  1.00  0.00           C  
HETATM   17  N   UNL     1       3.999   1.230   0.603  1.00  0.00           N  
HETATM   18  O   UNL     1       5.502   3.498   1.563  1.00  0.00           O1-
HETATM   19  O   UNL     1      -3.745  -1.754  -0.282  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.281  -0.106   1.074  1.00  0.00           O  
HETATM   21  O   UNL     1      -7.875   0.183   0.758  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.847  -2.082   1.188  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.901  -0.454   3.115  1.00  0.00           O  
HETATM   24  O   UNL     1       1.806   2.082   0.171  1.00  0.00           O  
HETATM   25  O   UNL     1       3.353  -4.877  -1.772  1.00  0.00           O  
HETATM   26  O   UNL     1       2.134  -7.365  -1.006  1.00  0.00           O  
HETATM   27  O   UNL     1       2.415   5.250  -0.941  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.961   2.099  -0.723  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.083   2.591  -2.195  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.861   0.387  -2.344  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.210   0.821  -0.255  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.240  -0.088  -1.449  1.00  0.00           O  
HETATM   33  P   UNL     1      -2.270   1.451  -1.400  1.00  0.00           P  
HETATM   34  P   UNL     1      -4.388  -0.278  -0.254  1.00  0.00           P  
HETATM   35  P   UNL     1      -6.728  -0.646   1.526  1.00  0.00           P  
HETATM   36  H   UNL     1       6.600  -0.417   1.631  1.00  0.00           H  
HETATM   37  H   UNL     1       3.824   2.356  -1.726  1.00  0.00           H  
HETATM   38  H   UNL     1       4.429   3.786  -0.826  1.00  0.00           H  
HETATM   39  H   UNL     1       2.105   3.806  -2.405  1.00  0.00           H  
HETATM   40  H   UNL     1       0.750   3.874   0.178  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.252   3.464  -2.102  1.00  0.00           H  
HETATM   42  H   UNL     1       0.545   1.872  -2.119  1.00  0.00           H  
HETATM   43  H   UNL     1       5.567  -5.215  -0.399  1.00  0.00           H  
HETATM   44  H   UNL     1       4.812  -5.400   1.202  1.00  0.00           H  
HETATM   45  H   UNL     1       2.567  -5.038   0.132  1.00  0.00           H  
HETATM   46  H   UNL     1       4.194  -7.284  -1.140  1.00  0.00           H  
HETATM   47  H   UNL     1       3.534  -7.326   0.512  1.00  0.00           H  
HETATM   48  H   UNL     1       2.708  -0.335  -0.193  1.00  0.00           H  
HETATM   49  H   UNL     1       3.300   3.130   1.199  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.857   1.134   0.933  1.00  0.00           H  
HETATM   51  H   UNL     1       4.082  -5.157  -2.341  1.00  0.00           H  
HETATM   52  H   UNL     1       2.047  -8.326  -1.066  1.00  0.00           H  
HETATM   53  H   UNL     1       3.136   5.727  -1.374  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.383   3.322  -1.637  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.752  -0.758   3.458  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.173  -1.948   0.474  1.00  0.00           H  
CONECT    1    2    3    3   18                                       
CONECT    2    1    4    4   17                                       
CONECT    3    1    1                                                 
CONECT    4    2    2    9   36                                       
CONECT    5    6   16   37   38                                       
CONECT    6    5    7   27   39                                       
CONECT    7    6    8   24   40                                       
CONECT    8    7   28   41   42                                       
CONECT    9    4   10   15   15                                       
CONECT   10    9   11   11   11                                       
CONECT   11   10   10   10   12                                       
CONECT   12   11   13   43   44                                       
CONECT   13   12   14   25   45                                       
CONECT   14   13   26   46   47                                       
CONECT   15    9    9   17   48                                       
CONECT   16    5   17   24   49                                       
CONECT   17    2   15   16                                            
CONECT   18    1                                                      
CONECT   19   34   56                                                 
CONECT   20   34   35                                                 
CONECT   21   35   50                                                 
CONECT   22   35   35                                                 
CONECT   23   35   55                                                 
CONECT   24    7   16                                                 
CONECT   25   13   51                                                 
CONECT   26   14   52                                                 
CONECT   27    6   53                                                 
CONECT   28    8   33                                                 
CONECT   29   33   54                                                 
CONECT   30   33   33                                                 
CONECT   31   33   34                                                 
CONECT   32   34   34                                                 
CONECT   33   28   29   30   30                                       
CONECT   33   31                                                      
CONECT   34   19   20   31   32                                       
CONECT   34   32                                                      
CONECT   35   20   21   22   22                                       
CONECT   35   23                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   21                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   23                                                      
CONECT   56   19                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
