COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.363   0.600   0.023  1.00  0.00           N  
HETATM    2  C   UNL     1       1.038   0.369  -0.054  1.00  0.00           C  
HETATM    3  O   UNL     1       0.623  -0.771  -0.155  1.00  0.00           O  
HETATM    4  C   UNL     1       0.096   1.490  -0.015  1.00  0.00           C  
HETATM    5  C   UNL     1       0.421   2.855   0.098  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.684   3.551   0.099  1.00  0.00           N  
HETATM    7  N   UNL     1      -1.780   2.689  -0.013  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.309   1.409  -0.090  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.145   0.377  -0.204  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.453   0.567  -0.244  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.975   1.874  -0.167  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.126   2.921  -0.056  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.306  -0.513  -0.362  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.764  -0.335  -0.294  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.327  -1.321   0.734  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.883  -2.681   0.398  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.421  -2.799   0.479  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.780  -1.872  -0.566  1.00  0.00           C  
HETATM   19  C   UNL     1       3.265  -0.474  -0.014  1.00  0.00           C  
HETATM   20  C   UNL     1       4.681  -0.410   0.055  1.00  0.00           C  
HETATM   21  N   UNL     1       5.128  -1.650  -0.015  1.00  0.00           N  
HETATM   22  N   UNL     1       4.146  -2.471  -0.119  1.00  0.00           N  
HETATM   23  C   UNL     1       2.968  -1.797  -0.117  1.00  0.00           C  
HETATM   24  C   UNL     1       5.499   0.811   0.181  1.00  0.00           C  
HETATM   25  N   UNL     1       6.842   0.720   0.235  1.00  0.00           N  
HETATM   26  O   UNL     1       4.960   1.900   0.235  1.00  0.00           O  
HETATM   27  C   UNL     1       4.279  -3.927  -0.220  1.00  0.00           C  
HETATM   28  H   UNL     1       2.694   1.508   0.100  1.00  0.00           H  
HETATM   29  H   UNL     1       1.420   3.260   0.173  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.042   2.038  -0.199  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.508   3.930   0.004  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.994   0.686   0.014  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.204  -0.533  -1.271  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.967  -1.056   1.729  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.417  -1.281   0.719  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.334  -3.365   0.988  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.088  -2.513   1.476  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.128  -3.829   0.278  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.032  -2.215  -1.569  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.697  -1.868  -0.439  1.00  0.00           H  
HETATM   41  H   UNL     1       1.981  -2.229  -0.188  1.00  0.00           H  
HETATM   42  H   UNL     1       7.272  -0.149   0.192  1.00  0.00           H  
HETATM   43  H   UNL     1       7.380   1.523   0.317  1.00  0.00           H  
HETATM   44  H   UNL     1       4.265  -4.363   0.780  1.00  0.00           H  
HETATM   45  H   UNL     1       3.450  -4.328  -0.802  1.00  0.00           H  
HETATM   46  H   UNL     1       5.220  -4.173  -0.710  1.00  0.00           H  
CONECT    1    2   19   28                                            
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    8    8    2                                       
CONECT    5    6    6    4   29                                       
CONECT    6    7    5    5                                            
CONECT    7   12    6    8                                            
CONECT    8    7    9    4    4                                       
CONECT    9   10   10    8                                            
CONECT   10   11   13    9    9                                       
CONECT   11   12   12   10   30                                       
CONECT   12   11   11    7   31                                       
CONECT   13   14   10   18                                            
CONECT   14   15   13   32   33                                       
CONECT   15   14   16   34   35                                       
CONECT   16   15   17   36                                            
CONECT   17   16   18   37   38                                       
CONECT   18   13   17   39   40                                       
CONECT   19    1   23   23   20                                       
CONECT   20   19   24   21   21                                       
CONECT   21   20   20   22                                            
CONECT   22   23   21   27                                            
CONECT   23   19   19   22   41                                       
CONECT   24   26   26   20   25                                       
CONECT   25   24   42   43                                            
CONECT   26   24   24                                                 
CONECT   27   22   44   45   46                                       
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
