COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.833   1.636   0.184  1.00  0.00           C  
HETATM    2  C   UNL     1       5.233   2.884  -0.199  1.00  0.00           C  
HETATM    3  C   UNL     1       2.970   0.084   0.618  1.00  0.00           C  
HETATM    4  C   UNL     1       1.582  -0.100   0.633  1.00  0.00           C  
HETATM    5  C   UNL     1       0.738   0.975   0.267  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.569   1.834   0.651  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.639  -0.634  -0.056  1.00  0.00           C  
HETATM    8  C   UNL     1       1.023  -1.362   1.015  1.00  0.00           C  
HETATM    9  C   UNL     1       3.282  -3.730   1.717  1.00  0.00           C  
HETATM   10  C   UNL     1       4.267  -3.321   0.620  1.00  0.00           C  
HETATM   11  CA  UNL     1       3.796  -2.017  -0.027  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.965  -0.506  -0.758  1.00  0.00           C  
HETATM   13  C   UNL     1       3.061   3.627  -0.501  1.00  0.00           C  
HETATM   14  C   UNL     1       2.545   2.376  -0.122  1.00  0.00           C  
HETATM   15  C   UNL     1       3.461   1.353   0.231  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.729   0.781   0.283  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.934   1.653   0.665  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.478   0.419   0.312  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.274  -0.454  -0.071  1.00  0.00           C  
HETATM   20  N   UNL     1       4.359   3.824  -0.523  1.00  0.00           N  
HETATM   21  N   UNL     1       1.229   2.146  -0.089  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.948   0.225   0.327  1.00  0.00           C  
HETATM   23  N   UNL     1       0.579  -2.363   1.318  1.00  0.00           N  
HETATM   24  N   UNL     1       3.829  -0.937   0.968  1.00  0.00           N  
HETATM   25  C   UNL     1       4.708  -1.669  -1.176  1.00  0.00           C  
HETATM   26  O   UNL     1       5.321  -0.628  -1.167  1.00  0.00           O  
HETATM   27  OXT UNL     1       4.838  -2.516  -2.210  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.594  -0.329  -0.780  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.695  -0.132   0.355  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.059   0.417   1.454  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.690   0.595   1.447  1.00  0.00           C  
HETATM   32  F   UNL     1      -4.881  -0.690  -1.869  1.00  0.00           F  
HETATM   33  C   UNL     1      -7.665  -1.103  -1.951  1.00  0.00           C  
HETATM   34  H   UNL     1       5.560   0.880   0.441  1.00  0.00           H  
HETATM   35  H   UNL     1       6.288   3.111  -0.237  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.147   2.789   0.929  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.061  -1.590  -0.329  1.00  0.00           H  
HETATM   38  H   UNL     1       3.655  -4.617   2.228  1.00  0.00           H  
HETATM   39  H   UNL     1       3.176  -2.915   2.433  1.00  0.00           H  
HETATM   40  H   UNL     1       2.312  -3.950   1.270  1.00  0.00           H  
HETATM   41  H   UNL     1       5.255  -3.174   1.056  1.00  0.00           H  
HETATM   42  H   UNL     1       4.315  -4.105  -0.136  1.00  0.00           H  
HETATM   43  HA  UNL     1       2.778  -2.141  -0.396  1.00  0.00           H  
HETATM   44  H   UNL     1       2.389   4.427  -0.775  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.583   2.468   0.951  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.626  -1.269  -0.356  1.00  0.00           H  
HETATM   47  H   UNL     1       3.617  -1.288   1.890  1.00  0.00           H  
HETATM   48  HXT UNL     1       5.433  -2.250  -2.923  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.766  -0.268   0.366  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.635   0.708   2.320  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.196   1.023   2.307  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.706  -2.187  -1.844  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.678  -0.706  -2.014  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.117  -0.849  -2.859  1.00  0.00           H  
CONECT    1   15   15    2   34                                       
CONECT    2    1   20   20   35                                       
CONECT    3   24    4    4   15                                       
CONECT    4    8    3    3    5                                       
CONECT    5    4   16   21   21                                       
CONECT    6   17   17   16   36                                       
CONECT    7   18   18   19   37                                       
CONECT    8   23   23   23    4                                       
CONECT    9   10   38   39   40                                       
CONECT   10    9   11   41   42                                       
CONECT   11   10   25   24   43                                       
CONECT   12   29   29   28   33                                       
CONECT   13   14   14   20   44                                       
CONECT   14   15   21   13   13                                       
CONECT   15    3    1    1   14                                       
CONECT   16    6    5   19   19                                       
CONECT   17    6    6   18   45                                       
CONECT   18   17   22    7    7                                       
CONECT   19   16   16    7   46                                       
CONECT   20    2    2   13                                            
CONECT   21    5    5   14                                            
CONECT   22   31   18   28   28                                       
CONECT   23    8    8    8                                            
CONECT   24   11    3   47                                            
CONECT   25   26   26   27   11                                       
CONECT   26   25   25                                                 
CONECT   27   25   48                                                 
CONECT   28   22   22   12   32                                       
CONECT   29   30   12   12   49                                       
CONECT   30   31   31   29   50                                       
CONECT   31   30   30   22   51                                       
CONECT   32   28                                                      
CONECT   33   12   52   53   54                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   24                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   33                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
