COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.427  -4.340   0.040  1.00  0.00           C  
HETATM    2  O   UNL     1       9.394  -3.608   0.012  1.00  0.00           O  
HETATM    3  N   UNL     1       7.185  -3.817   0.043  1.00  0.00           N  
HETATM    4  C   UNL     1       7.010  -2.425   0.014  1.00  0.00           C  
HETATM    5  N   UNL     1       5.841  -1.784   0.014  1.00  0.00           N  
HETATM    6  C   UNL     1       6.059  -0.485  -0.012  1.00  0.00           C  
HETATM    7  N   UNL     1       7.408  -0.273  -0.038  1.00  0.00           N  
HETATM    8  C   UNL     1       8.085   1.026  -0.074  1.00  0.00           C  
HETATM    9  C   UNL     1       8.006  -1.496  -0.018  1.00  0.00           C  
HETATM   10  C   UNL     1       5.022   0.562  -0.021  1.00  0.00           C  
HETATM   11  O   UNL     1       5.343   1.735  -0.045  1.00  0.00           O  
HETATM   12  N   UNL     1       3.719   0.220  -0.002  1.00  0.00           N  
HETATM   13  C   UNL     1       2.732   1.216  -0.011  1.00  0.00           C  
HETATM   14  N   UNL     1       1.415   1.011  -0.001  1.00  0.00           N  
HETATM   15  C   UNL     1       0.795   2.174  -0.010  1.00  0.00           C  
HETATM   16  N   UNL     1       1.735   3.165  -0.036  1.00  0.00           N  
HETATM   17  C   UNL     1       1.479   4.607  -0.060  1.00  0.00           C  
HETATM   18  C   UNL     1       2.955   2.560  -0.037  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.664   2.372   0.001  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.126   3.498  -0.015  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.489   1.306   0.027  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.878   1.495   0.037  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.798   0.529   0.058  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.998   1.073   0.064  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.857   2.432   0.039  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.939   3.419   0.031  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.521   2.696   0.023  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.275   0.341   0.089  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.327   0.952   0.088  1.00  0.00           O  
HETATM   30  N   UNL     1      -6.279  -1.007   0.112  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.550  -1.736   0.137  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.274  -3.241   0.160  1.00  0.00           C  
HETATM   33  N   UNL     1      -8.548  -3.971   0.185  1.00  0.00           N1+
HETATM   34  C   UNL     1      -9.276  -3.729  -1.068  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.285  -5.409   0.328  1.00  0.00           C  
HETATM   36  H   UNL     1       8.562  -5.412   0.062  1.00  0.00           H  
HETATM   37  H   UNL     1       6.412  -4.402   0.065  1.00  0.00           H  
HETATM   38  H   UNL     1       8.240   1.326  -1.110  1.00  0.00           H  
HETATM   39  H   UNL     1       7.469   1.770   0.431  1.00  0.00           H  
HETATM   40  H   UNL     1       9.048   0.948   0.430  1.00  0.00           H  
HETATM   41  H   UNL     1       9.068  -1.693  -0.026  1.00  0.00           H  
HETATM   42  H   UNL     1       3.463  -0.716   0.017  1.00  0.00           H  
HETATM   43  H   UNL     1       1.407   4.946  -1.093  1.00  0.00           H  
HETATM   44  H   UNL     1       0.544   4.819   0.459  1.00  0.00           H  
HETATM   45  H   UNL     1       2.297   5.129   0.437  1.00  0.00           H  
HETATM   46  H   UNL     1       3.916   3.051  -0.054  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.121   0.409   0.040  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.216   3.646  -0.998  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.803   3.016   0.560  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.603   4.330   0.527  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.059   3.672   0.002  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.440  -1.494   0.113  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.112  -1.455   1.027  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.129  -1.486  -0.752  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.712  -3.521  -0.731  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.695  -3.490   1.049  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.104  -3.652   0.964  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.222  -4.271  -1.050  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.471  -2.662  -1.174  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.676  -4.074  -1.910  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.745  -5.589   1.257  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.231  -5.952   0.346  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.685  -5.754  -0.514  1.00  0.00           H  
CONECT    1    2    2    3   36                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   37                                            
CONECT    4    3    5    9    9                                       
CONECT    5    4    6    6                                            
CONECT    6    5    5    7   10                                       
CONECT    7    6    8    9                                            
CONECT    8    7   38   39   40                                       
CONECT    9    4    4    7   41                                       
CONECT   10    6   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   42                                            
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   19                                       
CONECT   16   15   17   18                                            
CONECT   17   16   43   44   45                                       
CONECT   18   13   13   16   46                                       
CONECT   19   15   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   47                                            
CONECT   22   21   23   27   27                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   28                                       
CONECT   25   24   26   27                                            
CONECT   26   25   48   49   50                                       
CONECT   27   22   22   25   51                                       
CONECT   28   24   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   52                                            
CONECT   31   30   32   53   54                                       
CONECT   32   31   33   55   56                                       
CONECT   33   32   34   35   57                                       
CONECT   34   33   58   59   60                                       
CONECT   35   33   61   62   63                                       
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
