COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.651   0.159  -0.712  1.00  0.00           C  
HETATM    2  C   UNL     1       0.281  -0.125  -1.353  1.00  0.00           C  
HETATM    3  C   UNL     1       2.665  -0.009  -2.119  1.00  0.00           C  
HETATM    4  C   UNL     1       5.047   0.669  -1.790  1.00  0.00           C  
HETATM    5  C   UNL     1       7.448   1.709   0.931  1.00  0.00           C  
HETATM    6  C   UNL     1       8.344   0.655   0.927  1.00  0.00           C  
HETATM    7  C   UNL     1       7.099  -0.395  -0.829  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.864  -1.844   0.707  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.520   2.109   0.136  1.00  0.00           C  
HETATM   10  CA  UNL     1      -8.027   0.786   0.664  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.960  -0.505   0.677  1.00  0.00           C  
HETATM   12  CA  UNL     1      -4.539  -0.679   0.319  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.906  -0.969  -0.352  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.478  -1.078  -0.734  1.00  0.00           C  
HETATM   15  C   UNL     1       3.842  -0.016  -1.142  1.00  0.00           C  
HETATM   16  C   UNL     1       6.207   0.661  -0.827  1.00  0.00           C  
HETATM   17  C   UNL     1       6.378   1.710   0.056  1.00  0.00           C  
HETATM   18  C   UNL     1       8.169  -0.398   0.046  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.524  -1.990   0.371  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.617   0.613   0.308  1.00  0.00           N  
HETATM   21  N   UNL     1      -3.915   0.268  -0.374  1.00  0.00           N  
HETATM   22  N   UNL     1       1.511  -0.664  -1.499  1.00  0.00           N  
HETATM   23  N   UNL     1       1.499  -1.851  -1.001  1.00  0.00           N  
HETATM   24  N   UNL     1       0.332  -2.135  -0.542  1.00  0.00           N  
HETATM   25  OXT UNL     1      -9.792   2.483   0.345  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.769   2.833  -0.475  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.539  -1.370   1.306  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.507  -2.810   1.409  1.00  0.00           O  
HETATM   29 CL   UNL     1       9.688   0.653   2.025  1.00  0.00          Cl  
HETATM   30  H   UNL     1      -2.179   0.953  -1.271  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.039   0.858  -1.666  1.00  0.00           H  
HETATM   32  H   UNL     1       2.407   1.021  -2.369  1.00  0.00           H  
HETATM   33  H   UNL     1       2.943  -0.544  -3.027  1.00  0.00           H  
HETATM   34  H   UNL     1       5.325   0.133  -2.698  1.00  0.00           H  
HETATM   35  H   UNL     1       4.789   1.698  -2.040  1.00  0.00           H  
HETATM   36  H   UNL     1       7.582   2.529   1.622  1.00  0.00           H  
HETATM   37  H   UNL     1       6.965  -1.214  -1.520  1.00  0.00           H  
HETATM   38  HA1 UNL     1      -8.133   0.765   1.748  1.00  0.00           H  
HETATM   39  HA2 UNL     1      -8.614  -0.021   0.225  1.00  0.00           H  
HETATM   40  H   UNL     1       3.565   0.519  -0.234  1.00  0.00           H  
HETATM   41  H   UNL     1       4.100  -1.046  -0.892  1.00  0.00           H  
HETATM   42  H   UNL     1       5.676   2.531   0.063  1.00  0.00           H  
HETATM   43  H   UNL     1       8.868  -1.220   0.041  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.973  -2.873   0.662  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.155   1.303  -0.194  1.00  0.00           H  
HETATM   46  HXT UNL     1     -10.062   3.340  -0.013  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.461  -2.696   2.368  1.00  0.00           H  
CONECT    1   21   13   13   30                                       
CONECT    2   14   14   22   31                                       
CONECT    3   22   15   32   33                                       
CONECT    4   16   15   34   35                                       
CONECT    5    6   17   17   36                                       
CONECT    6   29   18   18    5                                       
CONECT    7   18   16   16   37                                       
CONECT    8   12   28   19   19                                       
CONECT    9   26   26   10   25                                       
CONECT   10    9   20   38   39                                       
CONECT   11   27   27   20   12                                       
CONECT   12   11   21   21    8                                       
CONECT   13    1    1   19   14                                       
CONECT   14   13   24    2    2                                       
CONECT   15    4    3   40   41                                       
CONECT   16    7    7   17    4                                       
CONECT   17    5    5   16   42                                       
CONECT   18    6    6    7   43                                       
CONECT   19    8    8   13   44                                       
CONECT   20   10   11   45                                            
CONECT   21   12   12    1                                            
CONECT   22    2   23    3                                            
CONECT   23   24   24   22                                            
CONECT   24   14   23   23                                            
CONECT   25    9   46                                                 
CONECT   26    9    9                                                 
CONECT   27   11   11                                                 
CONECT   28    8   47                                                 
CONECT   29    6                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   25                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
