COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  OE1 UNL     1       6.678  -2.914   1.775  1.00  0.00           O  
HETATM    2  CD  UNL     1       6.713  -1.708   1.714  1.00  0.00           C  
HETATM    3  OE2 UNL     1       7.590  -1.024   2.465  1.00  0.00           O  
HETATM    4  CG  UNL     1       5.776  -0.972   0.792  1.00  0.00           C  
HETATM    5  CB  UNL     1       4.892  -1.980   0.053  1.00  0.00           C  
HETATM    6  CA  UNL     1       3.941  -1.232  -0.884  1.00  0.00           C  
HETATM    7  C   UNL     1       3.157  -2.227  -1.701  1.00  0.00           C  
HETATM    8  O   UNL     1       1.951  -2.250  -1.630  1.00  0.00           O  
HETATM    9  OXT UNL     1       3.799  -3.086  -2.509  1.00  0.00           O  
HETATM   10  N   UNL     1       3.018  -0.415  -0.093  1.00  0.00           N  
HETATM   11  C   UNL     1       2.448   0.677  -0.638  1.00  0.00           C  
HETATM   12  O   UNL     1       2.700   0.985  -1.787  1.00  0.00           O  
HETATM   13  N   UNL     1       1.599   1.429   0.090  1.00  0.00           N  
HETATM   14  CA  UNL     1       0.979   2.617  -0.503  1.00  0.00           C  
HETATM   15  C   UNL     1       1.912   3.793  -0.363  1.00  0.00           C  
HETATM   16  OXT UNL     1       1.551   4.995  -0.838  1.00  0.00           O  
HETATM   17  O   UNL     1       2.984   3.653   0.177  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.335   2.920   0.219  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.327   1.781  -0.028  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.641   2.084   0.694  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.618   0.962   0.451  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.294   0.013  -0.231  1.00  0.00           O  
HETATM   23  N   UNL     1      -4.851   1.013   0.993  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.790   0.020   0.689  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.378  -1.292   0.497  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.306  -2.270   0.199  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.647  -1.943   0.091  1.00  0.00           C  
HETATM   28  F   UNL     1      -8.554  -2.901  -0.201  1.00  0.00           F  
HETATM   29  C   UNL     1      -8.061  -0.635   0.282  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.136   0.345   0.586  1.00  0.00           C  
HETATM   31  HE2 UNL     1       8.174  -1.540   3.039  1.00  0.00           H  
HETATM   32  HG1 UNL     1       5.148  -0.297   1.374  1.00  0.00           H  
HETATM   33  HG2 UNL     1       6.355  -0.398   0.069  1.00  0.00           H  
HETATM   34  HB1 UNL     1       5.520  -2.655  -0.530  1.00  0.00           H  
HETATM   35  HB2 UNL     1       4.314  -2.554   0.775  1.00  0.00           H  
HETATM   36  HA  UNL     1       4.517  -0.589  -1.549  1.00  0.00           H  
HETATM   37  HXT UNL     1       3.253  -3.705  -3.013  1.00  0.00           H  
HETATM   38  H   UNL     1       2.817  -0.661   0.824  1.00  0.00           H  
HETATM   39  H   UNL     1       1.398   1.184   1.007  1.00  0.00           H  
HETATM   40  HA  UNL     1       0.781   2.434  -1.559  1.00  0.00           H  
HETATM   41  HXT UNL     1       2.183   5.719  -0.725  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.149   3.015   1.288  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.752   3.853  -0.162  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.513   1.686  -1.097  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.910   0.848   0.353  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.455   2.179   1.763  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.058   3.017   0.313  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.088   1.738   1.593  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.332  -1.547   0.581  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.985  -3.290   0.049  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.108  -0.383   0.201  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.459   1.365   0.735  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   31                                                 
CONECT    4    2    5   32   33                                       
CONECT    5    4    6   34   35                                       
CONECT    6    7    5   10   36                                       
CONECT    7    8    8    9    6                                       
CONECT    8    7    7                                                 
CONECT    9    7   37                                                 
CONECT   10    6   11   38                                            
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   39                                            
CONECT   14   18   13   15   40                                       
CONECT   15   14   17   17   16                                       
CONECT   16   15   41                                                 
CONECT   17   15   15                                                 
CONECT   18   19   14   42   43                                       
CONECT   19   20   18   44   45                                       
CONECT   20   21   19   46   47                                       
CONECT   21   23   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   48                                            
CONECT   24   30   23   25   25                                       
CONECT   25   24   24   26   49                                       
CONECT   26   27   27   25   50                                       
CONECT   27   29   28   26   26                                       
CONECT   28   27                                                      
CONECT   29   30   30   27   51                                       
CONECT   30   29   29   24   52                                       
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
