COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.675   2.581   1.317  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.698   1.426   1.249  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.751   1.059  -0.250  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.485   1.504  -0.784  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.231   2.776  -0.149  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.762   3.110  -0.213  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.893  -0.390  -0.417  1.00  0.00           N  
HETATM    8  O   UNL     1      -3.294   3.769   1.815  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.980   1.864   1.703  1.00  0.00           O  
HETATM   10  C   UNL     1       0.043   2.385  -0.948  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.882  -1.281  -0.615  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.363  -2.486  -0.721  1.00  0.00           N  
HETATM   13  C   UNL     1       1.511   2.718  -1.012  1.00  0.00           C  
HETATM   14  N   UNL     1       2.297   1.538  -0.643  1.00  0.00           N  
HETATM   15  C   UNL     1       3.643   1.602  -0.630  1.00  0.00           C  
HETATM   16  C   UNL     1       4.434   0.413  -0.259  1.00  0.00           C  
HETATM   17  C   UNL     1       5.833   0.476  -0.243  1.00  0.00           C  
HETATM   18  C   UNL     1       6.569  -0.652   0.108  1.00  0.00           C  
HETATM   19  C   UNL     1       5.917  -1.827   0.441  1.00  0.00           C  
HETATM   20  C   UNL     1       4.533  -1.889   0.426  1.00  0.00           C  
HETATM   21  C   UNL     1       3.791  -0.780   0.085  1.00  0.00           C  
HETATM   22  N   UNL     1       3.849  -3.152   0.783  1.00  0.00           N1+
HETATM   23  O   UNL     1       6.468   1.630  -0.570  1.00  0.00           O  
HETATM   24  O   UNL     1       7.927  -0.599   0.125  1.00  0.00           O  
HETATM   25  O   UNL     1       4.206   2.639  -0.923  1.00  0.00           O  
HETATM   26  O   UNL     1       4.502  -4.133   1.089  1.00  0.00           O  
HETATM   27  O   UNL     1       2.632  -3.209   0.771  1.00  0.00           O1-
HETATM   28  C   UNL     1      -5.069  -1.097  -0.395  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.712  -2.446  -0.598  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.730  -3.401  -0.625  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.979  -2.998  -0.465  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.273  -1.723  -0.283  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.348  -0.787  -0.237  1.00  0.00           N  
HETATM   34  H   UNL     1      -1.825   2.303   1.940  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.354   0.576   1.838  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.574   1.581  -0.740  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.820   3.561  -0.623  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.375   3.948   0.348  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.697   4.527   1.878  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.991   2.164   2.622  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.345   1.547  -1.509  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.835  -1.026  -0.676  1.00  0.00           H  
HETATM   43  H   UNL     1       1.770   3.026  -2.025  1.00  0.00           H  
HETATM   44  H   UNL     1       1.729   3.531  -0.319  1.00  0.00           H  
HETATM   45  H   UNL     1       1.848   0.711  -0.409  1.00  0.00           H  
HETATM   46  H   UNL     1       6.491  -2.701   0.713  1.00  0.00           H  
HETATM   47  H   UNL     1       2.713  -0.832   0.080  1.00  0.00           H  
HETATM   48  H   UNL     1       6.631   2.216   0.182  1.00  0.00           H  
HETATM   49  H   UNL     1       8.300  -0.333   0.977  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.502  -4.446  -0.774  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.307  -1.440  -0.157  1.00  0.00           H  
CONECT    1    2    5    8   34                                       
CONECT    2    1    3    9   35                                       
CONECT    3    2    4    7   36                                       
CONECT    4    3    5                                                 
CONECT    5    1    4    6   37                                       
CONECT    6    5   10   10   38                                       
CONECT    7    3   11   28                                            
CONECT    8    1   39                                                 
CONECT    9    2   40                                                 
CONECT   10    6    6   13   41                                       
CONECT   11    7   12   12   42                                       
CONECT   12   11   11   29                                            
CONECT   13   10   14   43   44                                       
CONECT   14   13   15   45                                            
CONECT   15   14   16   25   25                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   23                                       
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20   46                                       
CONECT   20   19   21   21   22                                       
CONECT   21   16   20   20   47                                       
CONECT   22   20   26   26   27                                       
CONECT   23   17   48                                                 
CONECT   24   18   49                                                 
CONECT   25   15   15                                                 
CONECT   26   22   22                                                 
CONECT   27   22                                                      
CONECT   28    7   29   29   33                                       
CONECT   29   12   28   28   30                                       
CONECT   30   29   31   31   50                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   33   51                                       
CONECT   33   28   32   32                                            
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   30                                                      
CONECT   51   32                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
