COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.166   0.216   0.114  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.150   1.564  -0.501  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.772   2.019  -0.299  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.662   1.221  -0.181  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.445  -0.090  -0.202  1.00  0.00           N  
HETATM    6  C   ACE A   0      -1.221  -0.571  -0.057  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.293   1.537   0.148  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.576   2.093  -0.002  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.069   3.356  -0.020  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.358   3.315  -0.194  1.00  0.00           C  
HETATM   11  N   UNL     1       0.814   2.350   0.328  1.00  0.00           N  
HETATM   12  C   UNL     1       2.091   1.798   0.321  1.00  0.00           C  
HETATM   13  C   UNL     1       3.082   2.332   1.141  1.00  0.00           C  
HETATM   14  C   UNL     1       4.347   1.789   1.137  1.00  0.00           C  
HETATM   15  C   UNL     1       4.636   0.700   0.310  1.00  0.00           C  
HETATM   16  C   UNL     1       3.638   0.164  -0.512  1.00  0.00           C  
HETATM   17 CL   UNL     1       3.991  -1.188  -1.541  1.00  0.00          Cl  
HETATM   18  C   UNL     1       2.373   0.710  -0.499  1.00  0.00           C  
HETATM   19  C   UNL     1       5.989   0.116   0.304  1.00  0.00           C  
HETATM   20  O   UNL     1       6.950   0.633   1.096  1.00  0.00           O  
HETATM   21  O   UNL     1       6.239  -0.831  -0.415  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.034  -1.943  -0.086  1.00  0.00           N  
HETATM   23  CA  UNL     1      -2.191  -2.839  -0.157  1.00  0.00           C  
HETATM   24  CB  UNL     1      -2.602  -3.254   1.257  1.00  0.00           C  
HETATM   25  CG1 UNL     1      -3.068  -2.022   2.036  1.00  0.00           C  
HETATM   26  CG2 UNL     1      -3.744  -4.270   1.179  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.824  -4.083  -0.968  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.816  -4.823  -0.275  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.021   2.042   0.662  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.690   2.138  -1.813  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.170   0.475  -0.546  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.002   3.131   0.707  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.046   1.703   0.512  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.637   1.633   1.596  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.069   1.797  -2.641  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.715   1.799  -1.963  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.670   3.227  -1.768  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.004   4.179  -0.247  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.137  -2.311  -0.059  1.00  0.00           H  
HETATM   40  H   UNL     1       0.698   3.305   0.458  1.00  0.00           H  
HETATM   41  H   UNL     1       2.858   3.174   1.779  1.00  0.00           H  
HETATM   42  H   UNL     1       1.600   0.296  -1.130  1.00  0.00           H  
HETATM   43  H   UNL     1       5.115   2.205   1.773  1.00  0.00           H  
HETATM   44  H   UNL     1       7.822   0.217   1.057  1.00  0.00           H  
HETATM   45  HA  UNL     1      -3.021  -2.322  -0.639  1.00  0.00           H  
HETATM   46  HB  UNL     1      -1.750  -3.705   1.766  1.00  0.00           H  
HETATM   47  H1  UNL     1      -2.709  -4.707  -1.096  1.00  0.00           H  
HETATM   48  H2  UNL     1      -1.448  -3.782  -1.945  1.00  0.00           H  
HETATM   49 HG11 UNL     1      -3.959  -1.609   1.563  1.00  0.00           H  
HETATM   50 HG12 UNL     1      -3.300  -2.307   3.062  1.00  0.00           H  
HETATM   51 HG13 UNL     1      -2.276  -1.273   2.037  1.00  0.00           H  
HETATM   52 HG21 UNL     1      -3.383  -5.187   0.713  1.00  0.00           H  
HETATM   53 HG22 UNL     1      -4.103  -4.490   2.184  1.00  0.00           H  
HETATM   54 HG23 UNL     1      -4.558  -3.856   0.585  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.535  -5.627  -0.733  1.00  0.00           H  
CONECT    1    6    7    7                                            
CONECT    2    3   29   30   31                                       
CONECT    3    2    4   10                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    6                                            
CONECT    6    1    5    5   22                                       
CONECT    7    1    1    8   11                                       
CONECT    8    4    4    7    9                                       
CONECT    9    8   10   10                                            
CONECT   10    3    9    9   38                                       
CONECT   11    7   12   40                                            
CONECT   12   11   13   13   18                                       
CONECT   13   12   12   14   41                                       
CONECT   14   13   15   15   43                                       
CONECT   15   14   14   16   19                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   12   16   16   42                                       
CONECT   19   15   20   21   21                                       
CONECT   20   19   44                                                 
CONECT   21   19   19                                                 
CONECT   22    6   23   39                                            
CONECT   23   22   24   27   45                                       
CONECT   24   23   25   26   46                                       
CONECT   25   24   49   50   51                                       
CONECT   26   24   52   53   54                                       
CONECT   27   23   28   47   48                                       
CONECT   28   27   55                                                 
CONECT   29    2   32   33   34                                       
CONECT   30    2   35   36   37                                       
CONECT   31    2                                                      
CONECT   32   29                                                      
CONECT   33   29                                                      
CONECT   34   29                                                      
CONECT   35   30                                                      
CONECT   36   30                                                      
CONECT   37   30                                                      
CONECT   38   10                                                      
CONECT   39   22                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   18                                                      
CONECT   43   14                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
