COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.338   0.243  -0.443  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.360  -1.005   1.820  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.201  -0.274   1.007  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.703   0.357  -0.129  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.335   1.512  -2.020  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.012  -1.120   1.527  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.416   1.837   0.364  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.225   2.089   1.861  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.053  -0.638   0.071  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.487  -0.506   0.394  1.00  0.00           C  
HETATM   11 CL   UNL     1       2.791   0.052   2.206  1.00  0.00          Cl  
HETATM   12  C   UNL     1       3.231   0.731   0.670  1.00  0.00           C  
HETATM   13  C   UNL     1       4.421   1.420   0.533  1.00  0.00           C  
HETATM   14  C   UNL     1       4.773   1.961  -0.690  1.00  0.00           C  
HETATM   15  C   UNL     1       3.936   1.817  -1.783  1.00  0.00           C  
HETATM   16  C   UNL     1       2.745   1.132  -1.659  1.00  0.00           C  
HETATM   17  C   UNL     1       2.387   0.578  -0.430  1.00  0.00           C  
HETATM   18  C   UNL     1       1.109  -0.159  -0.290  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.135   0.388   0.059  1.00  0.00           C  
HETATM   20  CA  UNL     1       0.915  -1.525  -0.491  1.00  0.00           C  
HETATM   21  C   UNL     1       1.908  -2.464  -0.866  1.00  0.00           C  
HETATM   22  O   UNL     1       3.055  -2.098  -1.043  1.00  0.00           O  
HETATM   23  OXT UNL     1       1.582  -3.763  -1.027  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.416  -1.800  -0.259  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.140   1.001  -1.676  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.281   1.135  -1.108  1.00  0.00           N  
HETATM   27  H   UNL     1      -4.756  -1.486   2.702  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.250  -0.195   1.250  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.521   2.124  -2.891  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.368  -1.696   2.174  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.442   2.075   0.083  1.00  0.00           H  
HETATM   32  H   UNL     1       0.271   2.467  -0.201  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.428   3.137   2.081  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.912   1.459   2.426  1.00  0.00           H  
HETATM   35  H   UNL     1       0.801   1.851   2.141  1.00  0.00           H  
HETATM   36  H   UNL     1       5.078   1.536   1.382  1.00  0.00           H  
HETATM   37  H   UNL     1       5.704   2.499  -0.793  1.00  0.00           H  
HETATM   38  H   UNL     1       4.216   2.243  -2.736  1.00  0.00           H  
HETATM   39  H   UNL     1       2.093   1.020  -2.513  1.00  0.00           H  
HETATM   40  HXT UNL     1       2.326  -4.327  -1.283  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.831  -2.674  -0.319  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.209   1.128  -2.210  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.219   1.379  -1.145  1.00  0.00           H  
CONECT    1    4    4   10   25                                       
CONECT    2    3    3    6   27                                       
CONECT    3    2    2    4   28                                       
CONECT    4    3   26    1    1                                       
CONECT    5   26   25   25   29                                       
CONECT    6    2   10   10   30                                       
CONECT    7    8   19   31   32                                       
CONECT    8    7   33   34   35                                       
CONECT    9   10   19   19   24                                       
CONECT   10    6    6    1    9                                       
CONECT   11   12                                                      
CONECT   12   17   17   13   11                                       
CONECT   13   14   14   12   36                                       
CONECT   14   15   13   13   37                                       
CONECT   15   16   16   14   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   16   18   12   12                                       
CONECT   18   19   17   20   20                                       
CONECT   19    7    9    9   18                                       
CONECT   20   18   18   24   21                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   40                                                 
CONECT   24    9   20   41                                            
CONECT   25    5    5    1   42                                       
CONECT   26    4    5   43                                            
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
