COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.912   0.020   0.286  1.00  0.00           C  
HETATM    2  N   UNL     1       3.888   0.823   0.082  1.00  0.00           N  
HETATM    3  C   UNL     1       4.065   2.144  -0.096  1.00  0.00           C  
HETATM    4  C   UNL     1       5.307   2.696  -0.072  1.00  0.00           C  
HETATM    5  C   UNL     1       6.226   0.552   0.319  1.00  0.00           C  
HETATM    6  N   UNL     1       6.401   1.901   0.137  1.00  0.00           N  
HETATM    7  C   UNL     1       7.738   2.146   0.214  1.00  0.00           C  
HETATM    8  C   UNL     1       8.348   0.958   0.439  1.00  0.00           C  
HETATM    9  N   UNL     1       7.416   0.006   0.500  1.00  0.00           N  
HETATM   10  N   UNL     1       4.705  -1.338   0.473  1.00  0.00           N  
HETATM   11  C   UNL     1       3.428  -1.874   0.331  1.00  0.00           C  
HETATM   12  C   UNL     1       2.555  -1.345  -0.616  1.00  0.00           C  
HETATM   13  C   UNL     1       1.294  -1.876  -0.762  1.00  0.00           C  
HETATM   14  C   UNL     1       0.890  -2.947   0.040  1.00  0.00           C  
HETATM   15  C   UNL     1       1.770  -3.476   0.990  1.00  0.00           C  
HETATM   16  C   UNL     1       3.029  -2.940   1.132  1.00  0.00           C  
HETATM   17  C   UNL     1       2.885   3.013  -0.324  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.461  -3.518  -0.114  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.393  -2.801  -0.425  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.664  -4.835   0.090  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.019  -5.408   0.051  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.005  -6.621  -0.886  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.952  -7.506  -0.495  1.00  0.00           O  
HETATM   24  C   UNL     1       0.357  -6.939  -0.597  1.00  0.00           C  
HETATM   25  C   UNL     1       0.464  -5.744   0.350  1.00  0.00           C  
HETATM   26  C   UNL     1       1.606   2.463  -0.346  1.00  0.00           C  
HETATM   27  C   UNL     1       0.507   3.281  -0.558  1.00  0.00           C  
HETATM   28  C   UNL     1       0.684   4.647  -0.749  1.00  0.00           C  
HETATM   29  C   UNL     1       1.953   5.192  -0.727  1.00  0.00           C  
HETATM   30  C   UNL     1       3.053   4.385  -0.510  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.780   2.733  -0.582  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.815   3.421  -0.063  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.156   2.803   0.002  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.647   4.551   0.353  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.352   1.503  -0.469  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.605   0.929  -0.400  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.666   1.639   0.133  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.479   2.928   0.601  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.231   3.513   0.539  1.00  0.00           C  
HETATM   40  S   UNL     1      -7.263   0.899   0.216  1.00  0.00           S  
HETATM   41  C   UNL     1      -7.296   0.074   1.831  1.00  0.00           C  
HETATM   42  O   UNL     1      -8.161   2.000   0.200  1.00  0.00           O  
HETATM   43  O   UNL     1      -7.260  -0.059  -0.833  1.00  0.00           O  
HETATM   44  H   UNL     1       5.430   3.759  -0.218  1.00  0.00           H  
HETATM   45  H   UNL     1       8.220   3.106   0.114  1.00  0.00           H  
HETATM   46  H   UNL     1       9.412   0.807   0.552  1.00  0.00           H  
HETATM   47  H   UNL     1       5.450  -1.915   0.703  1.00  0.00           H  
HETATM   48  H   UNL     1       2.867  -0.518  -1.235  1.00  0.00           H  
HETATM   49  H   UNL     1       0.616  -1.465  -1.496  1.00  0.00           H  
HETATM   50  H   UNL     1       1.461  -4.303   1.611  1.00  0.00           H  
HETATM   51  H   UNL     1       3.711  -3.351   1.862  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.313  -5.722   1.053  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.722  -4.664  -0.322  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.960  -7.141  -0.822  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.840  -6.287  -1.911  1.00  0.00           H  
HETATM   56  H   UNL     1       1.100  -7.689  -0.325  1.00  0.00           H  
HETATM   57  H   UNL     1       0.532  -6.608  -1.620  1.00  0.00           H  
HETATM   58  H   UNL     1       1.405  -5.222   0.177  1.00  0.00           H  
HETATM   59  H   UNL     1       0.419  -6.088   1.383  1.00  0.00           H  
HETATM   60  H   UNL     1       1.470   1.401  -0.198  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.173   5.283  -0.915  1.00  0.00           H  
HETATM   62  H   UNL     1       2.086   6.253  -0.875  1.00  0.00           H  
HETATM   63  H   UNL     1       4.043   4.815  -0.489  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.927   1.857  -0.972  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.525   0.948  -0.886  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.758  -0.076  -0.765  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.311   3.476   1.016  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.085   4.517   0.909  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.148   0.813   2.619  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.260  -0.416   1.969  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.500  -0.669   1.876  1.00  0.00           H  
CONECT    1   10    2    2    5                                       
CONECT    2    1    1    3                                            
CONECT    3    2   17    4    4                                       
CONECT    4    3    3    6   44                                       
CONECT    5    1    9    9    6                                       
CONECT    6    5    4    7                                            
CONECT    7    8    8    6   45                                       
CONECT    8    9    7    7   46                                       
CONECT    9    5    5    8                                            
CONECT   10   11    1   47                                            
CONECT   11   12   12   16   10                                       
CONECT   12   13   11   11   48                                       
CONECT   13   14   14   12   49                                       
CONECT   14   18   13   13   15                                       
CONECT   15   14   16   16   50                                       
CONECT   16   15   15   11   51                                       
CONECT   17   26    3   30   30                                       
CONECT   18   19   19   20   14                                       
CONECT   19   18   18                                                 
CONECT   20   25   18   21                                            
CONECT   21   20   22   52   53                                       
CONECT   22   23   21   54   55                                       
CONECT   23   24   22                                                 
CONECT   24   25   23   56   57                                       
CONECT   25   24   20   58   59                                       
CONECT   26   27   27   17   60                                       
CONECT   27   31   26   26   28                                       
CONECT   28   27   29   29   61                                       
CONECT   29   28   28   30   62                                       
CONECT   30   17   17   29   63                                       
CONECT   31   32   27   64                                            
CONECT   32   34   34   33   31                                       
CONECT   33   35   39   39   32                                       
CONECT   34   32   32                                                 
CONECT   35   36   36   33   65                                       
CONECT   36   35   35   37   66                                       
CONECT   37   40   36   38   38                                       
CONECT   38   37   37   39   67                                       
CONECT   39   33   33   38   68                                       
CONECT   40   43   43   42   42                                       
CONECT   40   37   41                                                 
CONECT   41   40   69   70   71                                       
CONECT   42   40   40                                                 
CONECT   43   40   40                                                 
CONECT   44    4                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   41                                                      
CONECT   70   41                                                      
CONECT   71   41                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
