COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.372  -0.974   1.853  1.00  0.00           O  
HETATM    2  O   UNL     1       1.886   4.738   1.409  1.00  0.00           O1-
HETATM    3  C   UNL     1      -2.246  -2.397   0.835  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.899  -1.092   0.483  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.536  -0.728   0.476  1.00  0.00           C  
HETATM    6  C   UNL     1       0.410  -1.712   0.828  1.00  0.00           C  
HETATM    7  N   UNL     1       1.539   3.611   1.715  1.00  0.00           N1+
HETATM    8  O   UNL     1      -3.334   0.016  -1.158  1.00  0.00           O  
HETATM    9  O   UNL     1       1.727   3.202   2.846  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.039  -2.989   1.165  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.697  -2.802   0.842  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.940  -0.110   0.125  1.00  0.00           C  
HETATM   13  O   UNL     1       2.589  -1.575  -0.274  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.362   1.002  -1.437  1.00  0.00           C  
HETATM   15  C   UNL     1       0.890   2.739   0.711  1.00  0.00           C  
HETATM   16  C   UNL     1       0.498   1.463   1.058  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.114   0.641   0.110  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.174   1.546  -2.855  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.741   0.349  -1.320  1.00  0.00           C  
HETATM   20  C   UNL     1       1.851  -1.396   0.840  1.00  0.00           C  
HETATM   21  C   UNL     1       4.000  -1.243  -0.190  1.00  0.00           C  
HETATM   22  C   UNL     1       4.668  -1.510  -1.540  1.00  0.00           C  
HETATM   23  O   UNL     1       4.129  -0.622  -2.521  1.00  0.00           O  
HETATM   24  C   UNL     1       4.688  -0.789  -3.826  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.441   0.586   0.985  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.324  -3.281   1.157  1.00  0.00           N  
HETATM   27  C   UNL     1       0.961  -4.052   1.543  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.326   1.118  -1.184  1.00  0.00           C  
HETATM   29  C   UNL     1       0.071   2.396  -1.519  1.00  0.00           C  
HETATM   30  C   UNL     1       0.672   3.207  -0.573  1.00  0.00           C  
HETATM   31  H   UNL     1      -4.121  -2.619   1.829  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.241  -2.219   0.099  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.779  -3.862   0.602  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.286   1.820  -0.721  1.00  0.00           H  
HETATM   35  H   UNL     1       0.665   1.100   2.062  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.251   0.728  -3.571  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.946   2.287  -3.065  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.192   2.011  -2.938  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.818  -0.469  -2.037  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.875  -0.039  -0.310  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.513   1.090  -1.530  1.00  0.00           H  
HETATM   42  H   UNL     1       4.111  -0.190   0.069  1.00  0.00           H  
HETATM   43  H   UNL     1       4.473  -1.858   0.577  1.00  0.00           H  
HETATM   44  H   UNL     1       5.742  -1.346  -1.453  1.00  0.00           H  
HETATM   45  H   UNL     1       4.481  -2.541  -1.841  1.00  0.00           H  
HETATM   46  H   UNL     1       4.502  -1.805  -4.174  1.00  0.00           H  
HETATM   47  H   UNL     1       4.227  -0.079  -4.512  1.00  0.00           H  
HETATM   48  H   UNL     1       5.763  -0.610  -3.786  1.00  0.00           H  
HETATM   49  H   UNL     1       1.131  -4.023   2.619  1.00  0.00           H  
HETATM   50  H   UNL     1       0.574  -5.031   1.262  1.00  0.00           H  
HETATM   51  H   UNL     1       1.900  -3.869   1.022  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.799   0.487  -1.922  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.092   2.766  -2.521  1.00  0.00           H  
HETATM   54  H   UNL     1       0.981   4.207  -0.840  1.00  0.00           H  
CONECT    1   20   20                                                 
CONECT    2    7                                                      
CONECT    3   11    4    4   26                                       
CONECT    4   12    3    3    5                                       
CONECT    5    4   17    6    6                                       
CONECT    6    5    5   10   20                                       
CONECT    7   15    9    9    2                                       
CONECT    8   14   12                                                 
CONECT    9    7    7                                                 
CONECT   10   26   26    6   27                                       
CONECT   11    3   31   32   33                                       
CONECT   12    8   25   25    4                                       
CONECT   13   20   21                                                 
CONECT   14   19    8   18   34                                       
CONECT   15   16   16   30    7                                       
CONECT   16   17   15   15   35                                       
CONECT   17    5   28   28   16                                       
CONECT   18   14   36   37   38                                       
CONECT   19   14   39   40   41                                       
CONECT   20    6   13    1    1                                       
CONECT   21   13   22   42   43                                       
CONECT   22   23   21   44   45                                       
CONECT   23   24   22                                                 
CONECT   24   23   46   47   48                                       
CONECT   25   12   12                                                 
CONECT   26    3   10   10                                            
CONECT   27   10   49   50   51                                       
CONECT   28   17   17   29   52                                       
CONECT   29   28   30   30   53                                       
CONECT   30   29   29   15   54                                       
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
