COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.464   1.438   2.067  1.00  0.00           O  
HETATM    2  C   UNL     1       6.010   1.080   1.045  1.00  0.00           C  
HETATM    3  C   UNL     1       7.356   0.419   1.141  1.00  0.00           C  
HETATM    4  N   UNL     1       8.018   0.435  -0.170  1.00  0.00           N  
HETATM    5  C   UNL     1       9.268  -0.336  -0.139  1.00  0.00           C  
HETATM    6  C   UNL     1       7.107  -0.079  -1.206  1.00  0.00           C  
HETATM    7  C   UNL     1       5.975   0.930  -1.409  1.00  0.00           C  
HETATM    8  N   UNL     1       5.386   1.285  -0.120  1.00  0.00           N  
HETATM    9  C   UNL     1       4.058   1.903  -0.104  1.00  0.00           C  
HETATM   10  C   UNL     1       3.003   0.827  -0.131  1.00  0.00           C  
HETATM   11  C   UNL     1       3.362  -0.510  -0.056  1.00  0.00           C  
HETATM   12  CA  UNL     1       1.654   1.164  -0.224  1.00  0.00           C  
HETATM   13  C   UNL     1       1.257   2.582  -0.306  1.00  0.00           C  
HETATM   14  O   UNL     1       0.083   2.885  -0.296  1.00  0.00           O  
HETATM   15  N   UNL     1       0.722   0.216  -0.241  1.00  0.00           N  
HETATM   16  C   UNL     1       1.033  -1.067  -0.171  1.00  0.00           C  
HETATM   17  C   UNL     1       2.363  -1.470  -0.084  1.00  0.00           C  
HETATM   18  C   UNL     1       2.745  -2.924  -0.009  1.00  0.00           C  
HETATM   19  C   UNL     1       1.557  -3.765   0.460  1.00  0.00           C  
HETATM   20  C   UNL     1       0.337  -3.424  -0.406  1.00  0.00           C  
HETATM   21  N   UNL     1       0.004  -2.012  -0.186  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.274  -1.633   0.009  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.530  -0.477   0.286  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.270  -2.535  -0.104  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.595  -2.122  -0.021  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.907  -0.784  -0.212  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.543  -3.016   0.235  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.812  -2.680   0.324  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.213  -1.355   0.150  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.595  -0.994   0.248  1.00  0.00           C  
HETATM   31  N   UNL     1      -8.692  -0.707   0.325  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.234  -0.378  -0.128  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.585   0.951  -0.309  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.552   1.949  -0.596  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.201   3.326  -0.750  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.774   3.724   0.497  1.00  0.00           O  
HETATM   37  C   UNL     1      -6.410   5.003   0.463  1.00  0.00           C  
HETATM   38  H   UNL     1       7.971   0.954   1.864  1.00  0.00           H  
HETATM   39  H   UNL     1       7.229  -0.613   1.467  1.00  0.00           H  
HETATM   40  H   UNL     1       9.043  -1.384   0.060  1.00  0.00           H  
HETATM   41  H   UNL     1       9.773  -0.249  -1.101  1.00  0.00           H  
HETATM   42  H   UNL     1       9.915   0.053   0.647  1.00  0.00           H  
HETATM   43  H   UNL     1       7.652  -0.209  -2.141  1.00  0.00           H  
HETATM   44  H   UNL     1       6.694  -1.036  -0.887  1.00  0.00           H  
HETATM   45  H   UNL     1       6.369   1.825  -1.890  1.00  0.00           H  
HETATM   46  H   UNL     1       5.206   0.488  -2.043  1.00  0.00           H  
HETATM   47  H   UNL     1       3.946   2.500   0.801  1.00  0.00           H  
HETATM   48  H   UNL     1       3.945   2.545  -0.978  1.00  0.00           H  
HETATM   49  H   UNL     1       4.400  -0.798   0.021  1.00  0.00           H  
HETATM   50  H   UNL     1       2.012   3.351  -0.375  1.00  0.00           H  
HETATM   51  H   UNL     1       3.061  -3.265  -0.994  1.00  0.00           H  
HETATM   52  H   UNL     1       3.568  -3.045   0.696  1.00  0.00           H  
HETATM   53  H   UNL     1       1.795  -4.824   0.355  1.00  0.00           H  
HETATM   54  H   UNL     1       1.340  -3.541   1.504  1.00  0.00           H  
HETATM   55  H   UNL     1       0.576  -3.583  -1.458  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.505  -4.054  -0.120  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.061  -3.472  -0.243  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.128  -0.066  -0.423  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.552  -3.439   0.533  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.515   1.220  -0.244  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.834   1.976   0.223  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.038   1.685  -1.521  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.446   4.052  -1.051  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.981   3.277  -1.509  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.680   5.764   0.187  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.216   4.989  -0.271  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.820   5.232   1.447  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    8    1    1    3                                       
CONECT    3    2    4   38   39                                       
CONECT    4    6    3    5                                            
CONECT    5    4   40   41   42                                       
CONECT    6    7    4   43   44                                       
CONECT    7    8    6   45   46                                       
CONECT    8    9    7    2                                            
CONECT    9   10    8   47   48                                       
CONECT   10   12   12   11    9                                       
CONECT   11   17   17   10   49                                       
CONECT   12   15   13   10   10                                       
CONECT   13   14   14   12   50                                       
CONECT   14   13   13                                                 
CONECT   15   16   16   12                                            
CONECT   16   21   15   15   17                                       
CONECT   17   16   18   11   11                                       
CONECT   18   19   17   51   52                                       
CONECT   19   20   18   53   54                                       
CONECT   20   21   19   55   56                                       
CONECT   21   22   20   16                                            
CONECT   22   23   23   24   21                                       
CONECT   23   22   22                                                 
CONECT   24   25   22   57                                            
CONECT   25   26   26   27   24                                       
CONECT   26   32   25   25   58                                       
CONECT   27   28   28   25                                            
CONECT   28   29   27   27   59                                       
CONECT   29   30   32   32   28                                       
CONECT   30   31   31   31   29                                       
CONECT   31   30   30   30                                            
CONECT   32   33   29   29   26                                       
CONECT   33   34   32   60                                            
CONECT   34   35   33   61   62                                       
CONECT   35   34   36   63   64                                       
CONECT   36   35   37                                                 
CONECT   37   36   65   66   67                                       
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   24                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
