COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.832  -0.752  -0.164  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.012   0.141  -0.086  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.415   1.428  -0.080  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.842   1.748  -0.167  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.301   3.089   0.410  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.254   2.884  -1.107  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.700  -0.154   0.001  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.280  -1.495   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.083  -2.584  -0.088  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.292  -3.688  -0.055  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.960  -3.269   0.056  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.944  -1.951   0.084  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.741  -1.099   0.188  1.00  0.00           C  
HETATM   14  N   UNL     1       0.452  -1.484   0.739  1.00  0.00           N  
HETATM   15  C   UNL     1       1.313  -0.408   0.644  1.00  0.00           C  
HETATM   16  C   UNL     1       2.631  -0.195   1.020  1.00  0.00           C  
HETATM   17  C   UNL     1       3.225   1.027   0.779  1.00  0.00           C  
HETATM   18  C   UNL     1       4.657   1.256   1.188  1.00  0.00           C  
HETATM   19  N   UNL     1       5.548   0.880   0.082  1.00  0.00           N1+
HETATM   20  C   UNL     1       6.935   1.214   0.434  1.00  0.00           C  
HETATM   21  C   UNL     1       7.861   0.822  -0.720  1.00  0.00           C  
HETATM   22  O   UNL     1       7.710  -0.574  -0.992  1.00  0.00           O  
HETATM   23  C   UNL     1       6.370  -0.954  -1.317  1.00  0.00           C  
HETATM   24  C   UNL     1       5.441  -0.565  -0.164  1.00  0.00           C  
HETATM   25  C   UNL     1       2.513   2.046   0.164  1.00  0.00           C  
HETATM   26  C   UNL     1       1.204   1.854  -0.216  1.00  0.00           C  
HETATM   27  C   UNL     1       0.586   0.622   0.020  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.654   0.138  -0.237  1.00  0.00           N1+
HETATM   29  H   UNL     1      -3.597  -4.608  -0.100  1.00  0.00           H  
HETATM   30  H   UNL     1       0.654  -2.351   1.124  1.00  0.00           H  
HETATM   31  H   UNL     1       5.281   1.384  -0.751  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.368   0.632  -0.669  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.760   2.141  -0.017  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.521   0.901  -0.074  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.282   3.124   0.883  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.542   3.732   0.854  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.464   3.392  -1.659  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.204   2.783  -1.631  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.045   0.559   0.063  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.160  -2.575  -0.169  1.00  0.00           H  
HETATM   41  H   UNL     1       3.191  -0.984   1.499  1.00  0.00           H  
HETATM   42  H   UNL     1       4.802   2.309   1.429  1.00  0.00           H  
HETATM   43  H   UNL     1       4.887   0.647   2.062  1.00  0.00           H  
HETATM   44  H   UNL     1       7.015   2.286   0.616  1.00  0.00           H  
HETATM   45  H   UNL     1       7.223   0.670   1.333  1.00  0.00           H  
HETATM   46  H   UNL     1       7.598   1.396  -1.609  1.00  0.00           H  
HETATM   47  H   UNL     1       8.894   1.030  -0.444  1.00  0.00           H  
HETATM   48  H   UNL     1       6.056  -0.440  -2.226  1.00  0.00           H  
HETATM   49  H   UNL     1       6.325  -2.032  -1.473  1.00  0.00           H  
HETATM   50  H   UNL     1       5.730  -1.109   0.735  1.00  0.00           H  
HETATM   51  H   UNL     1       4.413  -0.814  -0.426  1.00  0.00           H  
HETATM   52  H   UNL     1       2.989   2.998  -0.018  1.00  0.00           H  
HETATM   53  H   UNL     1       0.656   2.653  -0.693  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   33                                            
CONECT    4    3    6    5   34                                       
CONECT    5    4   35    6   36                                       
CONECT    6    4    5   38   37                                       
CONECT    7    2   39    8                                            
CONECT    8    7   12    9    9                                       
CONECT    9    8    8   40   10                                       
CONECT   10    9   11   29                                            
CONECT   11   10   12   12                                            
CONECT   12    8   11   11   13                                       
CONECT   13   12   28   28   14                                       
CONECT   14   13   15   30                                            
CONECT   15   14   27   16   16                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   25   25   18                                       
CONECT   18   17   19   43   42                                       
CONECT   19   18   31   24   20                                       
CONECT   20   19   21   44   45                                       
CONECT   21   20   46   22   47                                       
CONECT   22   21   23                                                 
CONECT   23   22   48   49   24                                       
CONECT   24   19   23   51   50                                       
CONECT   25   17   17   52   26                                       
CONECT   26   25   53   27   27                                       
CONECT   27   15   26   26   28                                       
CONECT   28   13   13   27   32                                       
CONECT   29   10                                                      
CONECT   30   14                                                      
CONECT   31   19                                                      
CONECT   32   28                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
