COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.266   0.564  -3.368  1.00  0.00           C  
HETATM    2  C   UNL     1       4.197   0.459  -2.187  1.00  0.00           C  
HETATM    3  N   UNL     1       5.097   1.342  -1.866  1.00  0.00           N  
HETATM    4  C   UNL     1       5.756   0.936  -0.752  1.00  0.00           C  
HETATM    5  C   UNL     1       6.789   1.466   0.020  1.00  0.00           C  
HETATM    6  N   UNL     1       7.226   0.817   1.079  1.00  0.00           N  
HETATM    7  C   UNL     1       6.721  -0.346   1.455  1.00  0.00           C  
HETATM    8  C   UNL     1       5.698  -0.943   0.750  1.00  0.00           C  
HETATM    9  C   UNL     1       5.197  -0.301  -0.376  1.00  0.00           C  
HETATM   10  N   UNL     1       4.213  -0.572  -1.298  1.00  0.00           N  
HETATM   11  C   UNL     1       3.345  -1.752  -1.320  1.00  0.00           C  
HETATM   12  C   UNL     1       2.101  -1.475  -0.516  1.00  0.00           C  
HETATM   13  C   UNL     1       2.138  -1.562   0.866  1.00  0.00           C  
HETATM   14  F   UNL     1       3.287  -1.901   1.490  1.00  0.00           F  
HETATM   15  C   UNL     1       1.001  -1.303   1.607  1.00  0.00           C  
HETATM   16  C   UNL     1       0.927  -1.128  -1.162  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.216  -0.873  -0.434  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.185  -0.954   0.960  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.406  -0.676   1.747  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.407  -0.849   2.951  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.619  -0.190   1.074  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.741  -0.914   0.793  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.863   1.175   0.576  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.108   2.359   0.570  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.795   2.381   1.141  1.00  0.00           C  
HETATM   26  C   UNL     1       0.281   2.400   1.609  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.648   3.511   0.003  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.917   3.484  -0.548  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.664   2.324  -0.544  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.147   1.160   0.015  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.651  -0.122   0.164  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.868  -0.526  -0.252  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.861   0.080   0.099  1.00  0.00           O  
HETATM   34  N   UNL     1      -5.983  -1.600  -1.057  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.309  -2.105  -1.419  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.781  -2.264  -1.569  1.00  0.00           C  
HETATM   37  H   UNL     1       3.730   0.101  -4.239  1.00  0.00           H  
HETATM   38  H   UNL     1       2.330   0.054  -3.140  1.00  0.00           H  
HETATM   39  H   UNL     1       3.066   1.615  -3.580  1.00  0.00           H  
HETATM   40  H   UNL     1       7.232   2.413  -0.251  1.00  0.00           H  
HETATM   41  H   UNL     1       7.117  -0.836   2.332  1.00  0.00           H  
HETATM   42  H   UNL     1       5.294  -1.893   1.067  1.00  0.00           H  
HETATM   43  H   UNL     1       3.070  -1.981  -2.349  1.00  0.00           H  
HETATM   44  H   UNL     1       3.875  -2.601  -0.887  1.00  0.00           H  
HETATM   45  H   UNL     1       1.030  -1.372   2.685  1.00  0.00           H  
HETATM   46  H   UNL     1       0.906  -1.057  -2.240  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.131  -0.603  -0.940  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.884  -1.958   1.033  1.00  0.00           H  
HETATM   49  H   UNL     1       1.244   2.417   2.028  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.075   4.426  -0.006  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.328   4.382  -0.985  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.653   2.319  -0.978  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.648  -1.614  -2.331  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.256  -3.181  -1.585  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.011  -1.897  -0.612  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.230  -2.708  -0.741  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.069  -3.044  -2.274  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.150  -1.533  -2.075  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2   10    1    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    9    3    5    5                                       
CONECT    5    4    4    6   40                                       
CONECT    6    7    7    5                                            
CONECT    7    8    6    6   41                                       
CONECT    8    9    9    7   42                                       
CONECT    9   10    8    8    4                                       
CONECT   10   11    9    2                                            
CONECT   11   12   10   43   44                                       
CONECT   12   13   13   16   11                                       
CONECT   13   15   14   12   12                                       
CONECT   14   13                                                      
CONECT   15   18   18   13   45                                       
CONECT   16   17   17   12   46                                       
CONECT   17   18   16   16   47                                       
CONECT   18   19   15   15   17                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   23   22   22   19                                       
CONECT   22   31   21   21   48                                       
CONECT   23   30   30   24   21                                       
CONECT   24   27   27   23   25                                       
CONECT   25   24   26   26   26                                       
CONECT   26   25   25   25   49                                       
CONECT   27   28   24   24   50                                       
CONECT   28   29   29   27   51                                       
CONECT   29   28   28   30   52                                       
CONECT   30   29   31   23   23                                       
CONECT   31   32   30   22                                            
CONECT   32   33   33   34   31                                       
CONECT   33   32   32                                                 
CONECT   34   36   32   35                                            
CONECT   35   34   53   54   55                                       
CONECT   36   34   56   57   58                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   22                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   35                                                      
CONECT   54   35                                                      
CONECT   55   35                                                      
CONECT   56   36                                                      
CONECT   57   36                                                      
CONECT   58   36                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
