COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.463  -1.296   0.335  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.249  -1.238  -0.391  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.157  -3.610  -0.389  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.625  -2.427  -0.735  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.999  -2.633   0.687  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.341   1.053  -0.393  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.304  -3.723   0.299  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.820   2.312  -0.735  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.490   3.438  -0.367  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.924   4.784  -0.739  1.00  0.00           C  
HETATM   11  C   UNL     1       0.536  -0.036  -1.486  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.721  -0.080  -0.735  1.00  0.00           N1+
HETATM   13  C   UNL     1       1.713   0.010  -0.510  1.00  0.00           C  
HETATM   14  C   UNL     1       3.026   0.056  -1.294  1.00  0.00           C  
HETATM   15  C   UNL     1       4.185   0.101  -0.332  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.036  -2.744   1.309  1.00  0.00           O  
HETATM   17  N   UNL     1      -3.105  -0.199   0.685  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.573  -4.626  -0.714  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.600   0.989   0.354  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.244   2.191   0.703  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.688   3.378   0.342  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.384   4.660   0.719  1.00  0.00           C  
HETATM   23  C   UNL     1       4.760  -1.074   0.112  1.00  0.00           C  
HETATM   24  C   UNL     1       5.823  -1.033   0.995  1.00  0.00           C  
HETATM   25  C   UNL     1       6.310   0.184   1.434  1.00  0.00           C  
HETATM   26  C   UNL     1       5.735   1.359   0.989  1.00  0.00           C  
HETATM   27  C   UNL     1       4.676   1.318   0.102  1.00  0.00           C  
HETATM   28  H   UNL     1       0.207  -2.404  -1.232  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.640  -4.605   0.521  1.00  0.00           H  
HETATM   30  H   UNL     1       0.104   2.386  -1.289  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.312   5.085  -1.712  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.214   5.520   0.011  1.00  0.00           H  
HETATM   33  H   UNL     1       0.163   4.721  -0.785  1.00  0.00           H  
HETATM   34  H   UNL     1       0.617  -0.925  -2.112  1.00  0.00           H  
HETATM   35  H   UNL     1       0.552   0.854  -2.116  1.00  0.00           H  
HETATM   36  H   UNL     1       1.632   0.899   0.116  1.00  0.00           H  
HETATM   37  H   UNL     1       1.697  -0.880   0.120  1.00  0.00           H  
HETATM   38  H   UNL     1       3.107  -0.833  -1.919  1.00  0.00           H  
HETATM   39  H   UNL     1       3.041   0.946  -1.924  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.174   2.170   1.253  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.029   4.994   1.694  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.166   5.424  -0.028  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.460   4.491   0.762  1.00  0.00           H  
HETATM   44  H   UNL     1       4.379  -2.025  -0.230  1.00  0.00           H  
HETATM   45  H   UNL     1       6.272  -1.952   1.342  1.00  0.00           H  
HETATM   46  H   UNL     1       7.137   0.216   2.127  1.00  0.00           H  
HETATM   47  H   UNL     1       6.115   2.310   1.332  1.00  0.00           H  
HETATM   48  H   UNL     1       4.226   2.237  -0.245  1.00  0.00           H  
CONECT    1   17    5    2    2                                       
CONECT    2    1    1   12    4                                       
CONECT    3    7    4   18   18                                       
CONECT    4    2    3   28                                            
CONECT    5   16   16    1    7                                       
CONECT    6   19    8   12   12                                       
CONECT    7    5    3   29                                            
CONECT    8    9    9    6   30                                       
CONECT    9   21   10    8    8                                       
CONECT   10    9   31   32   33                                       
CONECT   11   12   13   34   35                                       
CONECT   12    6    6    2   11                                       
CONECT   13   11   14   36   37                                       
CONECT   14   15   13   38   39                                       
CONECT   15   27   27   23   14                                       
CONECT   16    5    5                                                 
CONECT   17   19   19    1                                            
CONECT   18    3    3                                                 
CONECT   19   20   17   17    6                                       
CONECT   20   21   21   19   40                                       
CONECT   21   22   20   20    9                                       
CONECT   22   21   41   42   43                                       
CONECT   23   24   24   15   44                                       
CONECT   24   25   23   23   45                                       
CONECT   25   26   26   24   46                                       
CONECT   26   25   25   27   47                                       
CONECT   27   26   15   15   48                                       
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
