COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.343   2.565  -0.059  1.00  0.00           N  
HETATM    2  C   UNL     1       0.479   3.898  -0.201  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.441   0.320  -0.914  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.890   1.362   1.215  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.558  -0.237   0.279  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.984  -1.591   0.463  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.997  -3.035  -0.883  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.850  -2.741  -1.511  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.936  -1.100  -0.742  1.00  0.00           C  
HETATM   10  O   UNL     1       5.694  -3.132   0.990  1.00  0.00           O  
HETATM   11  C   UNL     1       6.022  -2.247   0.227  1.00  0.00           C  
HETATM   12  C   UNL     1       7.410  -2.233  -0.358  1.00  0.00           C  
HETATM   13  C   UNL     1       8.575  -1.947   0.592  1.00  0.00           C  
HETATM   14  C   UNL     1       8.360  -3.361   0.049  1.00  0.00           C  
HETATM   15  N   UNL     1       5.143  -1.278  -0.097  1.00  0.00           N  
HETATM   16  C   UNL     1       5.405  -0.155  -1.009  1.00  0.00           C  
HETATM   17  C   UNL     1       4.126   0.707  -1.054  1.00  0.00           C  
HETATM   18  C   UNL     1       3.410   0.335   0.272  1.00  0.00           C  
HETATM   19  C   UNL     1       1.898   0.537   0.155  1.00  0.00           C  
HETATM   20  C   UNL     1       1.598   2.005  -0.005  1.00  0.00           C  
HETATM   21  N   UNL     1       2.479   2.947  -0.115  1.00  0.00           N  
HETATM   22  N   UNL     1       1.801   4.167  -0.242  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.424   4.711  -0.280  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.870   1.868   0.026  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.248   1.006  -0.996  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.271   0.496   0.192  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.693   2.041   1.132  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.392  -0.055   1.386  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.591  -0.725   1.476  1.00  0.00           C  
HETATM   30  O   UNL     1      -8.070  -2.371   0.283  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.146  -1.783  -0.650  1.00  0.00           C  
HETATM   32  C   UNL     1       3.760  -1.171   0.400  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.734  -0.351  -1.709  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.531   1.500   2.073  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.752  -3.709  -1.260  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.516  -3.123  -2.464  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.297  -1.240  -1.601  1.00  0.00           H  
HETATM   38  H   UNL     1       7.487  -1.853  -1.377  1.00  0.00           H  
HETATM   39  H   UNL     1       9.418  -1.379   0.199  1.00  0.00           H  
HETATM   40  H   UNL     1       8.336  -1.770   1.641  1.00  0.00           H  
HETATM   41  H   UNL     1       7.981  -4.114   0.740  1.00  0.00           H  
HETATM   42  H   UNL     1       9.062  -3.724  -0.702  1.00  0.00           H  
HETATM   43  H   UNL     1       6.240   0.439  -0.637  1.00  0.00           H  
HETATM   44  H   UNL     1       5.632  -0.533  -2.006  1.00  0.00           H  
HETATM   45  H   UNL     1       4.376   1.768  -1.073  1.00  0.00           H  
HETATM   46  H   UNL     1       3.510   0.439  -1.912  1.00  0.00           H  
HETATM   47  H   UNL     1       3.815   0.906   1.108  1.00  0.00           H  
HETATM   48  H   UNL     1       1.526  -0.007  -0.713  1.00  0.00           H  
HETATM   49  H   UNL     1       1.411   0.163   1.055  1.00  0.00           H  
HETATM   50  H   UNL     1       2.207   5.042  -0.341  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.607   0.874  -1.855  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.397   2.712   1.925  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.093   0.616   2.177  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.227  -0.576   2.336  1.00  0.00           H  
HETATM   55  H   UNL     1       3.089  -1.772  -0.213  1.00  0.00           H  
HETATM   56  H   UNL     1       3.706  -1.485   1.443  1.00  0.00           H  
CONECT    1    2   20   24                                            
CONECT    2   22   23   23    1                                       
CONECT    3   26   26   25   33                                       
CONECT    4   27   27   26   34                                       
CONECT    5   26   28   28    9                                       
CONECT    6   29   29   31   30                                       
CONECT    7   30    8    8   35                                       
CONECT    8   31    7    7   36                                       
CONECT    9    5   31   31   37                                       
CONECT   10   11   11                                                 
CONECT   11   12   15   10   10                                       
CONECT   12   13   14   11   38                                       
CONECT   13   12   14   39   40                                       
CONECT   14   13   12   41   42                                       
CONECT   15   16   11   32                                            
CONECT   16   17   15   43   44                                       
CONECT   17   16   18   45   46                                       
CONECT   18   17   32   19   47                                       
CONECT   19   18   20   48   49                                       
CONECT   20   21   21    1   19                                       
CONECT   21   22   20   20                                            
CONECT   22   21    2   50                                            
CONECT   23    2    2                                                 
CONECT   24   27    1   25   25                                       
CONECT   25   24   24    3   51                                       
CONECT   26    4    5    3    3                                       
CONECT   27    4    4   24   52                                       
CONECT   28    5    5   29   53                                       
CONECT   29   28    6    6   54                                       
CONECT   30    6    7                                                 
CONECT   31    9    9    6    8                                       
CONECT   32   15   18   55   56                                       
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
