COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.462  -0.851  -1.476  1.00  0.00           C  
HETATM    2  CA  UNL     1      -2.423  -0.021   0.686  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.858   0.394   1.064  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.272   0.038   0.604  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.438   0.410  -0.871  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.003  -0.005  -1.250  1.00  0.00           C  
HETATM    7  C   UNL     1       2.453  -3.509  -0.088  1.00  0.00           C  
HETATM    8  C   UNL     1       2.901  -1.227   0.345  1.00  0.00           C  
HETATM    9  C   UNL     1       3.984  -0.998   1.192  1.00  0.00           C  
HETATM   10  C   UNL     1       4.845   0.052   0.950  1.00  0.00           C  
HETATM   11  C   UNL     1       4.640   0.886  -0.136  1.00  0.00           C  
HETATM   12  C   UNL     1       3.566   0.665  -0.981  1.00  0.00           C  
HETATM   13  C   UNL     1       2.701  -0.382  -0.740  1.00  0.00           C  
HETATM   14  C   UNL     1       0.782  -1.781  -0.446  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.222  -1.021   0.381  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.197   1.459   0.513  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.838  -0.378   0.225  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.418  -0.362  -1.710  1.00  0.00           C  
HETATM   19  N   UNL     1       1.920  -2.226   0.389  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.447  -0.761  -0.118  1.00  0.00           N  
HETATM   21  O   UNL     1       0.072  -0.642   1.495  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.312   1.855  -0.207  1.00  0.00           O  
HETATM   23  OXT UNL     1      -2.980   2.337   1.160  1.00  0.00           O  
HETATM   24 CL   UNL     1       5.728   2.204  -0.437  1.00  0.00          Cl  
HETATM   25  H   UNL     1       0.816  -0.008  -1.720  1.00  0.00           H  
HETATM   26  H   UNL     1       1.734  -1.404  -2.376  1.00  0.00           H  
HETATM   27  HA  UNL     1      -2.305  -0.287   1.736  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.694   1.465   0.940  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.740   0.129   2.115  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.436  -1.033   0.728  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.999   0.588   1.202  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.446   0.156  -1.199  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.275   1.481  -0.996  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.840   1.066  -1.374  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.277  -0.555  -1.847  1.00  0.00           H  
HETATM   36  H   UNL     1       2.796  -3.400  -1.117  1.00  0.00           H  
HETATM   37  H   UNL     1       3.288  -3.812   0.543  1.00  0.00           H  
HETATM   38  H   UNL     1       1.671  -4.266  -0.044  1.00  0.00           H  
HETATM   39  H   UNL     1       4.149  -1.645   2.041  1.00  0.00           H  
HETATM   40  H   UNL     1       5.682   0.225   1.610  1.00  0.00           H  
HETATM   41  H   UNL     1       3.405   1.314  -1.829  1.00  0.00           H  
HETATM   42  H   UNL     1       0.312  -2.630  -0.942  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.001  -1.449   0.350  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.582  -1.433  -1.586  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.536  -0.096  -2.761  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.682  -1.063  -1.009  1.00  0.00           H  
HETATM   47  HXT UNL     1      -2.797   3.276   1.018  1.00  0.00           H  
CONECT    1   14   13   25   26                                       
CONECT    2   17   20   16   27                                       
CONECT    3    4   17   28   29                                       
CONECT    4    5    3   30   31                                       
CONECT    5    4   18   32   33                                       
CONECT    6   18   17   34   35                                       
CONECT    7   19   36   37   38                                       
CONECT    8   13   19    9    9                                       
CONECT    9    8    8   10   39                                       
CONECT   10   11   11    9   40                                       
CONECT   11   12   24   10   10                                       
CONECT   12   13   13   11   41                                       
CONECT   13    1   12   12    8                                       
CONECT   14    1   15   19   42                                       
CONECT   15   20   14   21   21                                       
CONECT   16    2   22   22   23                                       
CONECT   17    6    3    2   43                                       
CONECT   18    5    6   44   45                                       
CONECT   19   14    8    7                                            
CONECT   20    2   15   46                                            
CONECT   21   15   15                                                 
CONECT   22   16   16                                                 
CONECT   23   16   47                                                 
CONECT   24   11                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
