COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.245   0.425  -0.004  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.212   4.915   0.060  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.353  -2.045  -0.042  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.620  -3.233  -0.056  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.278  -4.446  -0.068  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.393  -3.312  -0.053  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.661  -4.486  -0.067  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.748  -2.093  -0.040  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.654  -0.743  -0.023  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.295   1.395   0.009  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.344   2.791   0.031  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.167   3.517   0.040  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.938   2.862   0.027  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.881   1.485   0.007  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.052   0.742  -0.003  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.318  -0.584  -0.023  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.546   0.786  -0.007  1.00  0.00           C  
HETATM   18  O   UNL     1       0.501   1.758   0.005  1.00  0.00           O  
HETATM   19  C   UNL     1       1.778   1.291  -0.004  1.00  0.00           C  
HETATM   20  C   UNL     1       2.431   1.029   1.192  1.00  0.00           C  
HETATM   21  C   UNL     1       3.730   0.554   1.179  1.00  0.00           C  
HETATM   22  C   UNL     1       4.377   0.340  -0.024  1.00  0.00           C  
HETATM   23  C   UNL     1       3.729   0.600  -1.217  1.00  0.00           C  
HETATM   24  C   UNL     1       2.428   1.070  -1.210  1.00  0.00           C  
HETATM   25 CL   UNL     1       1.612   1.389  -2.709  1.00  0.00          Cl  
HETATM   26  C   UNL     1       5.793  -0.177  -0.035  1.00  0.00           C  
HETATM   27  CA  UNL     1       5.776  -1.707  -0.064  1.00  0.00           C  
HETATM   28  C   UNL     1       7.186  -2.222  -0.199  1.00  0.00           C  
HETATM   29  O   UNL     1       7.780  -2.620   0.776  1.00  0.00           O  
HETATM   30  OXT UNL     1       7.783  -2.238  -1.401  1.00  0.00           O  
HETATM   31  N   UNL     1       5.186  -2.214   1.182  1.00  0.00           N  
HETATM   32 CL   UNL     1       1.620   1.298   2.703  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -4.067   5.373   0.069  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.387   5.426   0.067  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.541  -3.203  -0.058  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.712  -5.366  -0.079  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.473  -3.350  -0.053  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.171  -5.438  -0.077  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.320  -1.177  -0.029  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.296   3.301   0.040  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.023   3.437   0.034  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.460   0.149   0.874  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.464   0.175  -0.906  1.00  0.00           H  
HETATM   44  H   UNL     1       4.239   0.350   2.109  1.00  0.00           H  
HETATM   45  H   UNL     1       4.237   0.433  -2.155  1.00  0.00           H  
HETATM   46  H   UNL     1       6.310   0.198  -0.918  1.00  0.00           H  
HETATM   47  H   UNL     1       6.311   0.163   0.862  1.00  0.00           H  
HETATM   48  HA  UNL     1       5.182  -2.048  -0.912  1.00  0.00           H  
HETATM   49  HXT UNL     1       8.688  -2.578  -1.437  1.00  0.00           H  
HETATM   50  H1  UNL     1       5.719  -1.912   1.984  1.00  0.00           H  
HETATM   51  H2  UNL     1       4.220  -1.936   1.264  1.00  0.00           H  
CONECT    1   10    9    9                                            
CONECT    2   12   33   34                                            
CONECT    3    9    4    4    8                                       
CONECT    4    3    3    5   35                                       
CONECT    5    4    7    7   36                                       
CONECT    6    8    8    7   37                                       
CONECT    7    5    5    6   38                                       
CONECT    8    3    6    6   39                                       
CONECT    9   16    1    1    3                                       
CONECT   10   15   15   11    1                                       
CONECT   11   12   12   10   40                                       
CONECT   12   13    2   11   11                                       
CONECT   13   14   14   12   41                                       
CONECT   14   17   13   13   15                                       
CONECT   15   14   16   10   10                                       
CONECT   16   15    9                                                 
CONECT   17   18   14   42   43                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   24                                       
CONECT   20   32   19   19   21                                       
CONECT   21   20   22   22   44                                       
CONECT   22   21   21   23   26                                       
CONECT   23   24   24   22   45                                       
CONECT   24   19   25   23   23                                       
CONECT   25   24                                                      
CONECT   26   22   27   46   47                                       
CONECT   27   31   26   28   48                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   49                                                 
CONECT   31   27   50   51                                            
CONECT   32   20                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
