COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.878  -2.745   0.298  1.00  0.00           C  
HETATM    2 CL   UNL     1      -5.166  -3.909   0.269  1.00  0.00          Cl  
HETATM    3  C   UNL     1      -3.765  -1.871   1.372  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.759  -0.948   1.411  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.835  -0.882   0.366  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.943  -1.764  -0.725  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.974  -2.701  -0.742  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.919  -1.488  -1.602  1.00  0.00           N  
HETATM    9  CA  UNL     1      -0.145  -0.450  -1.117  1.00  0.00           C  
HETATM   10  C   UNL     1       0.994   0.098  -1.759  1.00  0.00           C  
HETATM   11  O   UNL     1       1.404  -0.397  -2.946  1.00  0.00           O  
HETATM   12  OXT UNL     1       1.604   1.015  -1.239  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.665  -0.033   0.102  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.148   1.044   0.957  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.503   2.385   0.916  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.482   3.006  -0.005  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.284   4.061   0.432  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.194   4.635  -0.431  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.312   4.168  -1.728  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.520   3.122  -2.168  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.602   2.543  -1.316  1.00  0.00           C  
HETATM   22  N   UNL     1       0.206   3.016   1.868  1.00  0.00           N  
HETATM   23  C   UNL     1       0.968   2.158   2.488  1.00  0.00           C  
HETATM   24  N   UNL     1       0.782   0.927   1.966  1.00  0.00           N  
HETATM   25  C   UNL     1       1.449  -0.306   2.392  1.00  0.00           C  
HETATM   26  C   UNL     1       2.655  -0.552   1.522  1.00  0.00           C  
HETATM   27  C   UNL     1       3.885  -0.035   1.884  1.00  0.00           C  
HETATM   28  C   UNL     1       4.991  -0.260   1.086  1.00  0.00           C  
HETATM   29  C   UNL     1       4.867  -1.002  -0.075  1.00  0.00           C  
HETATM   30 CL   UNL     1       6.256  -1.285  -1.077  1.00  0.00          Cl  
HETATM   31  C   UNL     1       3.636  -1.519  -0.436  1.00  0.00           C  
HETATM   32  C   UNL     1       2.531  -1.298   0.365  1.00  0.00           C  
HETATM   33  H   UNL     1      -4.479  -1.920   2.181  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.677  -0.271   2.248  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.068  -3.388  -1.570  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.764  -1.954  -2.438  1.00  0.00           H  
HETATM   37  H   UNL     1       2.188   0.041  -3.305  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.193   4.426   1.444  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.816   5.452  -0.094  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.027   4.620  -2.400  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.617   2.761  -3.181  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.981   1.730  -1.661  1.00  0.00           H  
HETATM   43  H   UNL     1       1.643   2.395   3.297  1.00  0.00           H  
HETATM   44  H   UNL     1       1.765  -0.208   3.431  1.00  0.00           H  
HETATM   45  H   UNL     1       0.758  -1.144   2.300  1.00  0.00           H  
HETATM   46  H   UNL     1       3.982   0.545   2.790  1.00  0.00           H  
HETATM   47  H   UNL     1       5.952   0.144   1.369  1.00  0.00           H  
HETATM   48  H   UNL     1       3.538  -2.099  -1.342  1.00  0.00           H  
HETATM   49  H   UNL     1       1.571  -1.706   0.086  1.00  0.00           H  
CONECT    1    2    3    3    7                                       
CONECT    2    1                                                      
CONECT    3    1    1    4   33                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    6   13                                       
CONECT    6    5    7    7    8                                       
CONECT    7    1    6    6   35                                       
CONECT    8    6    9   36                                            
CONECT    9    8   10   13   13                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   37                                                 
CONECT   12   10   10                                                 
CONECT   13    5    9    9   14                                       
CONECT   14   13   15   15   24                                       
CONECT   15   14   14   16   22                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   19   19   39                                       
CONECT   19   18   18   20   40                                       
CONECT   20   19   21   21   41                                       
CONECT   21   16   20   20   42                                       
CONECT   22   15   23   23                                            
CONECT   23   22   22   24   43                                       
CONECT   24   14   23   25                                            
CONECT   25   24   26   44   45                                       
CONECT   26   25   27   27   32                                       
CONECT   27   26   26   28   46                                       
CONECT   28   27   29   29   47                                       
CONECT   29   28   28   30   31                                       
CONECT   30   29                                                      
CONECT   31   29   32   32   48                                       
CONECT   32   26   31   31   49                                       
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   31                                                      
CONECT   49   32                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
