COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.103   0.535  -0.156  1.00  0.00           N  
HETATM    2  C   UNL     1       4.082   1.355   0.501  1.00  0.00           C  
HETATM    3  C   UNL     1       2.715   0.807   0.181  1.00  0.00           C  
HETATM    4  O   UNL     1       2.605  -0.171  -0.527  1.00  0.00           O  
HETATM    5  O   UNL     1       5.236  -0.804   1.615  1.00  0.00           O  
HETATM    6  C   UNL     1       5.617  -0.530   0.488  1.00  0.00           C  
HETATM    7  C   UNL     1       6.597  -1.327  -0.140  1.00  0.00           C  
HETATM    8  O   UNL     1       7.122  -2.405   0.503  1.00  0.00           O  
HETATM    9  C   UNL     1       7.011  -1.005  -1.401  1.00  0.00           C  
HETATM   10  C   UNL     1       6.453   0.111  -2.042  1.00  0.00           C  
HETATM   11  C   UNL     1       5.516   0.855  -1.411  1.00  0.00           C  
HETATM   12  N   UNL     1       1.615   1.405   0.680  1.00  0.00           N  
HETATM   13  C   UNL     1       0.287   0.873   0.369  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.780   1.729   1.055  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.147   1.181   0.734  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.825   1.632  -0.383  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.077   1.134  -0.682  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.715   0.225   1.556  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.967  -0.281   1.267  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.657   0.174   0.145  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.003  -0.365  -0.170  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.583  -1.325   0.657  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.835  -1.823   0.359  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.514  -1.371  -0.758  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.943  -0.418  -1.583  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.694   0.090  -1.291  1.00  0.00           C  
HETATM   27  H   UNL     1       4.238   1.334   1.580  1.00  0.00           H  
HETATM   28  H   UNL     1       4.155   2.382   0.143  1.00  0.00           H  
HETATM   29  H   UNL     1       7.785  -2.885  -0.012  1.00  0.00           H  
HETATM   30  H   UNL     1       7.760  -1.603  -1.900  1.00  0.00           H  
HETATM   31  H   UNL     1       6.772   0.377  -3.039  1.00  0.00           H  
HETATM   32  H   UNL     1       5.088   1.711  -1.912  1.00  0.00           H  
HETATM   33  H   UNL     1       1.704   2.188   1.246  1.00  0.00           H  
HETATM   34  H   UNL     1       0.131   0.893  -0.710  1.00  0.00           H  
HETATM   35  H   UNL     1       0.214  -0.154   0.727  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.624   1.708   2.133  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.707   2.756   0.697  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.375   2.377  -1.023  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.606   1.487  -1.554  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.179  -0.127   2.425  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.410  -1.027   1.909  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.054  -1.679   1.529  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.286  -2.567   0.999  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.494  -1.763  -0.988  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.477  -0.069  -2.454  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.249   0.834  -1.936  1.00  0.00           H  
CONECT    1    6    2   11                                            
CONECT    2    3    1   27   28                                       
CONECT    3   12    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    6    6                                                 
CONECT    6    5    5    7    1                                       
CONECT    7    8    6    9    9                                       
CONECT    8    7   29                                                 
CONECT    9    7    7   10   30                                       
CONECT   10    9   11   11   31                                       
CONECT   11    1   10   10   32                                       
CONECT   12   13    3   33                                            
CONECT   13   12   14   34   35                                       
CONECT   14   13   15   36   37                                       
CONECT   15   16   16   14   18                                       
CONECT   16   15   15   17   38                                       
CONECT   17   16   20   20   39                                       
CONECT   18   15   19   19   40                                       
CONECT   19   18   18   20   41                                       
CONECT   20   17   17   19   21                                       
CONECT   21   26   20   22   22                                       
CONECT   22   21   21   23   42                                       
CONECT   23   24   24   22   43                                       
CONECT   24   25   23   23   44                                       
CONECT   25   26   26   24   45                                       
CONECT   26   25   25   21   46                                       
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
