COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.749   2.525   2.859  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.414   1.927   2.158  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.253   1.174   1.274  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.454   1.716   0.812  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.253   0.988  -0.042  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.526   1.564  -0.531  1.00  0.00           N1+
HETATM    7  O   UNL     1      -5.865   2.679  -0.178  1.00  0.00           O1-
HETATM    8  O   UNL     1      -6.234   0.923  -1.287  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.871  -0.280  -0.446  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.686  -0.829   0.003  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.869  -0.111   0.863  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.702  -0.647   1.301  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.323  -1.851   0.796  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.632  -3.017   1.477  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.246  -4.242   0.963  1.00  0.00           C  
HETATM   16  C   UNL     1       0.449  -4.306  -0.232  1.00  0.00           C  
HETATM   17  F   UNL     1       0.825  -5.504  -0.731  1.00  0.00           F  
HETATM   18  C   UNL     1       0.760  -3.143  -0.918  1.00  0.00           C  
HETATM   19  C   UNL     1       0.371  -1.915  -0.410  1.00  0.00           C  
HETATM   20  O   UNL     1       0.675  -0.772  -1.081  1.00  0.00           O  
HETATM   21  C   UNL     1       1.812  -0.116  -0.740  1.00  0.00           C  
HETATM   22  C   UNL     1       2.109   1.126  -1.319  1.00  0.00           C  
HETATM   23  C   UNL     1       1.214   1.709  -2.273  1.00  0.00           C  
HETATM   24  N   UNL     1       0.504   2.171  -3.030  1.00  0.00           N  
HETATM   25  C   UNL     1       3.282   1.793  -0.959  1.00  0.00           C  
HETATM   26  C   UNL     1       2.683  -0.668   0.187  1.00  0.00           C  
HETATM   27  C   UNL     1       3.837   0.005   0.538  1.00  0.00           C  
HETATM   28  C   UNL     1       4.140   1.227  -0.039  1.00  0.00           C  
HETATM   29  N   UNL     1       5.380   1.937   0.346  1.00  0.00           N1+
HETATM   30  O   UNL     1       6.132   1.446   1.169  1.00  0.00           O  
HETATM   31  O   UNL     1       5.649   3.011  -0.160  1.00  0.00           O1-
HETATM   32  H   UNL     1      -3.756   2.705   1.125  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.503  -0.844  -1.116  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.174  -2.970   2.410  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.487  -5.150   1.496  1.00  0.00           H  
HETATM   36  H   UNL     1       1.303  -3.195  -1.850  1.00  0.00           H  
HETATM   37  H   UNL     1       3.518   2.750  -1.400  1.00  0.00           H  
HETATM   38  H   UNL     1       2.458  -1.624   0.635  1.00  0.00           H  
HETATM   39  H   UNL     1       4.515  -0.431   1.258  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.395  -1.819  -0.316  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3    4    4   11    2                                       
CONECT    4    5    3    3   32                                       
CONECT    5    6    9    9    4                                       
CONECT    6    7    8    8    5                                       
CONECT    7    6                                                      
CONECT    8    6    6                                                 
CONECT    9    5    5   10   33                                       
CONECT   10    9   11   11   40                                       
CONECT   11   10   10    3   12                                       
CONECT   12   13   11                                                 
CONECT   13   14   14   19   12                                       
CONECT   14   15   13   13   34                                       
CONECT   15   16   16   14   35                                       
CONECT   16   17   15   15   18                                       
CONECT   17   16                                                      
CONECT   18   16   19   19   36                                       
CONECT   19   18   18   13   20                                       
CONECT   20   21   19                                                 
CONECT   21   26   26   22   20                                       
CONECT   22   25   25   21   23                                       
CONECT   23   22   24   24   24                                       
CONECT   24   23   23   23                                            
CONECT   25   28   22   22   37                                       
CONECT   26   27   21   21   38                                       
CONECT   27   28   28   26   39                                       
CONECT   28   29   27   27   25                                       
CONECT   29   31   30   30   28                                       
CONECT   30   29   29                                                 
CONECT   31   29                                                      
CONECT   32    4                                                      
CONECT   33    9                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
CONECT   37   25                                                      
CONECT   38   26                                                      
CONECT   39   27                                                      
CONECT   40   10                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
