COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.247   1.091  -0.716  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.916   2.014   1.209  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.542  -0.343  -1.460  1.00  0.00           C  
HETATM    4  C   UNL     1       1.488  -3.006   0.119  1.00  0.00           C  
HETATM    5  C   UNL     1       6.312   1.331  -1.079  1.00  0.00           C  
HETATM    6  C   UNL     1       5.536   0.866   0.155  1.00  0.00           C  
HETATM    7  C   UNL     1       6.131   1.515   1.406  1.00  0.00           C  
HETATM    8  C   UNL     1       4.090   1.268   0.020  1.00  0.00           C  
HETATM    9  C   UNL     1       3.752   2.597  -0.103  1.00  0.00           C  
HETATM   10  C   UNL     1       2.423   2.981  -0.228  1.00  0.00           C  
HETATM   11  C   UNL     1       1.428   2.046  -0.232  1.00  0.00           C  
HETATM   12  C   UNL     1       1.748   0.691  -0.108  1.00  0.00           C  
HETATM   13  C   UNL     1       3.092   0.295   0.014  1.00  0.00           C  
HETATM   14  CA  UNL     1       1.843  -1.586   0.050  1.00  0.00           C  
HETATM   15  C   UNL     1       0.948  -0.539  -0.084  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.524  -0.641  -0.192  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.274  -1.131   0.878  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.645  -1.233   0.766  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.279  -0.835  -0.398  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.778  -0.937  -0.508  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.169  -0.246  -1.365  1.00  0.00           C  
HETATM   22  N   UNL     1       3.123  -1.076   0.119  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.389   0.309  -0.038  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.555   2.110   0.045  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.193   0.924   1.209  1.00  0.00           N  
HETATM   26  O   UNL     1       0.321  -3.344   0.058  1.00  0.00           O  
HETATM   27  OXT UNL     1       2.455  -3.937   0.250  1.00  0.00           O  
HETATM   28  H   UNL     1      -6.615   0.911  -1.715  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.987   2.719   2.024  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.042  -0.038  -2.368  1.00  0.00           H  
HETATM   31  H   UNL     1       7.358   1.040  -0.981  1.00  0.00           H  
HETATM   32  H   UNL     1       5.888   0.868  -1.970  1.00  0.00           H  
HETATM   33  H   UNL     1       6.243   2.415  -1.164  1.00  0.00           H  
HETATM   34  H   UNL     1       5.605  -0.218   0.241  1.00  0.00           H  
HETATM   35  H   UNL     1       6.062   2.600   1.321  1.00  0.00           H  
HETATM   36  H   UNL     1       5.578   1.184   2.286  1.00  0.00           H  
HETATM   37  H   UNL     1       7.177   1.225   1.504  1.00  0.00           H  
HETATM   38  H   UNL     1       4.528   3.348  -0.102  1.00  0.00           H  
HETATM   39  H   UNL     1       2.175   4.028  -0.323  1.00  0.00           H  
HETATM   40  H   UNL     1       0.397   2.352  -0.329  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.781  -1.438   1.788  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.226  -1.612   1.594  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.055  -1.108  -1.548  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.132  -1.768   0.103  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.595   0.134  -2.197  1.00  0.00           H  
HETATM   46  H   UNL     1       3.929  -1.607   0.215  1.00  0.00           H  
HETATM   47  HXT UNL     1       2.124  -4.845   0.286  1.00  0.00           H  
CONECT    1   24   24   23   28                                       
CONECT    2   24   25   25   29                                       
CONECT    3   19   21   21   30                                       
CONECT    4   26   26   27   14                                       
CONECT    5    6   31   32   33                                       
CONECT    6    8    7    5   34                                       
CONECT    7    6   35   36   37                                       
CONECT    8   13    6    9    9                                       
CONECT    9    8    8   10   38                                       
CONECT   10   11   11    9   39                                       
CONECT   11   12   10   10   40                                       
CONECT   12   15   13   13   11                                       
CONECT   13   22   12   12    8                                       
CONECT   14    4   15   15   22                                       
CONECT   15   16   14   14   12                                       
CONECT   16   17   17   21   15                                       
CONECT   17   18   16   16   41                                       
CONECT   18   19   19   17   42                                       
CONECT   19   20   18   18    3                                       
CONECT   20   23   19   43   44                                       
CONECT   21    3    3   16   45                                       
CONECT   22   14   13   46                                            
CONECT   23   25    1   20                                            
CONECT   24    2    1    1                                            
CONECT   25    2    2   23                                            
CONECT   26    4    4                                                 
CONECT   27    4   47                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
