COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.393  -1.291  -0.407  1.00  0.00           C  
HETATM    2  C   UNL     1       2.237  -0.427  -0.111  1.00  0.00           C  
HETATM    3  C   UNL     1       0.883  -0.532  -0.450  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.661  -1.518   0.005  1.00  0.00           N  
HETATM    5  C   UNL     1       4.577  -0.113   1.408  1.00  0.00           C  
HETATM    6  C   UNL     1       4.061  -0.816   2.665  1.00  0.00           C  
HETATM    7  C   UNL     1       3.741   1.145   1.168  1.00  0.00           C  
HETATM    8  C   UNL     1       2.391   0.737   0.636  1.00  0.00           C  
HETATM    9  C   UNL     1       0.257   0.555   0.089  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.183   0.861  -0.017  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.619   2.179  -0.201  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.630   3.312  -0.295  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.381   0.160  -0.038  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.977   2.416  -0.294  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.617   0.441  -0.274  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.231   0.616  -0.229  1.00  0.00           C  
HETATM   17  O   UNL     1       3.334  -2.173  -1.242  1.00  0.00           O  
HETATM   18  N   UNL     1       4.527  -1.048   0.292  1.00  0.00           N  
HETATM   19  C   UNL     1       5.752  -1.755  -0.088  1.00  0.00           C  
HETATM   20  C   UNL     1       6.513  -0.934  -1.131  1.00  0.00           C  
HETATM   21  O   UNL     1       6.951   0.293  -0.544  1.00  0.00           O  
HETATM   22  C   UNL     1       7.675   1.139  -1.439  1.00  0.00           C  
HETATM   23  N   UNL     1       1.197   1.319   0.748  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.090  -0.114   0.056  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.820   1.399  -0.207  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.298  -0.876   0.042  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.662  -0.608  -0.056  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.502  -2.962   0.190  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.876  -0.834  -0.135  1.00  0.00           N  
HETATM   30  H   UNL     1       0.422  -1.320  -1.027  1.00  0.00           H  
HETATM   31  H   UNL     1       5.614   0.180   1.571  1.00  0.00           H  
HETATM   32  H   UNL     1       3.024  -1.115   2.514  1.00  0.00           H  
HETATM   33  H   UNL     1       4.668  -1.699   2.862  1.00  0.00           H  
HETATM   34  H   UNL     1       4.123  -0.135   3.513  1.00  0.00           H  
HETATM   35  H   UNL     1       3.616   1.685   2.107  1.00  0.00           H  
HETATM   36  H   UNL     1       4.244   1.785   0.443  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.367   3.650   0.707  1.00  0.00           H  
HETATM   38  H   UNL     1       0.267   2.970  -0.810  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.075   4.138  -0.851  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.347   3.421  -0.435  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.349   1.225  -0.403  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.706   1.556  -0.316  1.00  0.00           H  
HETATM   43  H   UNL     1       6.380  -1.895   0.793  1.00  0.00           H  
HETATM   44  H   UNL     1       5.495  -2.728  -0.508  1.00  0.00           H  
HETATM   45  H   UNL     1       7.377  -1.499  -1.479  1.00  0.00           H  
HETATM   46  H   UNL     1       5.856  -0.719  -1.974  1.00  0.00           H  
HETATM   47  H   UNL     1       7.973   2.049  -0.917  1.00  0.00           H  
HETATM   48  H   UNL     1       8.564   0.617  -1.793  1.00  0.00           H  
HETATM   49  H   UNL     1       7.043   1.397  -2.288  1.00  0.00           H  
HETATM   50  H   UNL     1       1.018   2.148   1.219  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.990  -1.788   0.165  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.416  -3.446  -0.783  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.602  -3.157   0.774  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.370  -3.359   0.718  1.00  0.00           H  
CONECT    1   17   17    2   18                                       
CONECT    2    1    3    8    8                                       
CONECT    3    2    9    9   30                                       
CONECT    4   28   27   29                                            
CONECT    5   18    7    6   31                                       
CONECT    6    5   32   33   34                                       
CONECT    7    8    5   35   36                                       
CONECT    8    2    2   23    7                                       
CONECT    9    3    3   10   23                                       
CONECT   10   11    9   24   24                                       
CONECT   11   12   14   14   10                                       
CONECT   12   11   37   38   39                                       
CONECT   13   25   25   24   26                                       
CONECT   14   11   11   25   40                                       
CONECT   15   16   29   29   41                                       
CONECT   16   27   27   15   42                                       
CONECT   17    1    1                                                 
CONECT   18    1   19    5                                            
CONECT   19   20   18   43   44                                       
CONECT   20   21   19   45   46                                       
CONECT   21   22   20                                                 
CONECT   22   21   47   48   49                                       
CONECT   23    9    8   50                                            
CONECT   24   10   10   13                                            
CONECT   25   14   13   13                                            
CONECT   26   13   27   51                                            
CONECT   27   26    4   16   16                                       
CONECT   28    4   52   53   54                                       
CONECT   29    4   15   15                                            
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
