COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -4.640  -0.458  -0.162  1.00  0.00           C  
HETATM    2  C   UNL     1       0.836   1.918   0.201  1.00  0.00           C  
HETATM    3  C   UNL     1       0.689   4.319  -0.151  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.241   3.060   0.506  1.00  0.00           C  
HETATM    5  C   UNL     1       2.874   3.143  -0.481  1.00  0.00           C  
HETATM    6  C   UNL     1       4.948   1.896  -0.773  1.00  0.00           C  
HETATM    7  C   UNL     1       4.146  -2.687   0.104  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.053   0.370   2.408  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.192   0.600   0.902  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.319  -0.507   0.301  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.724  -1.753   0.513  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.467  -2.889   0.256  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.773  -2.762  -0.203  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.285   0.848  -0.399  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.523   1.898   0.528  1.00  0.00           C  
HETATM   16  C   UNL     1       1.444   3.147  -0.142  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.639   4.266   0.174  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.458   5.531   0.166  1.00  0.00           C  
HETATM   19  C   UNL     1       2.859   0.814  -0.097  1.00  0.00           C  
HETATM   20  C   UNL     1       3.007  -1.705   0.161  1.00  0.00           C  
HETATM   21  C   UNL     1       5.320  -1.995  -0.138  1.00  0.00           C  
HETATM   22  C   UNL     1       6.505  -2.705  -0.225  1.00  0.00           C  
HETATM   23  C   UNL     1       6.477  -4.079  -0.069  1.00  0.00           C  
HETATM   24  C   UNL     1       4.194  -4.061   0.249  1.00  0.00           C  
HETATM   25  C   UNL     1       5.006  -0.528  -0.255  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.612   0.663   0.546  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.313  -1.580  -0.396  1.00  0.00           N  
HETATM   28  N   UNL     1       3.522   1.955  -0.444  1.00  0.00           N  
HETATM   29  N   UNL     1       3.560  -0.366  -0.068  1.00  0.00           N  
HETATM   30  N   UNL     1       5.340  -4.708   0.159  1.00  0.00           N  
HETATM   31  N   UNL     1       1.587   0.791   0.209  1.00  0.00           N  
HETATM   32  O   UNL     1      -4.708   1.875  -0.100  1.00  0.00           O  
HETATM   33  OXT UNL     1      -6.515   0.902  -0.947  1.00  0.00           O  
HETATM   34  O   UNL     1       3.454   4.169  -0.785  1.00  0.00           O  
HETATM   35 CL   UNL     1      -5.706  -4.190  -0.527  1.00  0.00          Cl  
HETATM   36  H   UNL     1       1.149   5.261  -0.407  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.291   3.041   0.759  1.00  0.00           H  
HETATM   38  H   UNL     1       5.314   2.900  -0.986  1.00  0.00           H  
HETATM   39  H   UNL     1       5.499   1.480   0.071  1.00  0.00           H  
HETATM   40  H   UNL     1       5.093   1.262  -1.648  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.537  -0.568   2.678  1.00  0.00           H  
HETATM   42  H   UNL     1       0.003   0.323   2.672  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.526   1.191   2.946  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.718  -0.221   0.363  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.707  -1.827   0.870  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.036  -3.867   0.409  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.891   5.677  -0.823  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.257   5.451   0.904  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.820   6.379   0.412  1.00  0.00           H  
HETATM   50  H   UNL     1       2.277  -1.940  -0.614  1.00  0.00           H  
HETATM   51  H   UNL     1       2.532  -1.746   1.141  1.00  0.00           H  
HETATM   52  H   UNL     1       7.438  -2.194  -0.413  1.00  0.00           H  
HETATM   53  H   UNL     1       7.395  -4.644  -0.136  1.00  0.00           H  
HETATM   54  H   UNL     1       3.283  -4.611   0.437  1.00  0.00           H  
HETATM   55  H   UNL     1       5.541   0.028   0.514  1.00  0.00           H  
HETATM   56  H   UNL     1       5.297  -0.166  -1.242  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.058   1.521   0.481  1.00  0.00           H  
HETATM   58  HXT UNL     1      -6.897   1.780  -1.082  1.00  0.00           H  
CONECT    1   10   10   27   14                                       
CONECT    2   16   16   15   31                                       
CONECT    3   17   17   16   36                                       
CONECT    4   17   15   15   37                                       
CONECT    5   34   34   16   28                                       
CONECT    6   28   38   39   40                                       
CONECT    7   20   24   24   21                                       
CONECT    8    9   41   42   43                                       
CONECT    9   15    8   26   44                                       
CONECT   10   11   26    1    1                                       
CONECT   11   12   12   10   45                                       
CONECT   12   11   11   13   46                                       
CONECT   13   12   35   27   27                                       
CONECT   14    1   32   32   33                                       
CONECT   15    4    4    2    9                                       
CONECT   16    3    5    2    2                                       
CONECT   17   18    3    3    4                                       
CONECT   18   17   47   48   49                                       
CONECT   19   28   31   31   29                                       
CONECT   20   29    7   50   51                                       
CONECT   21    7   25   22   22                                       
CONECT   22   21   21   23   52                                       
CONECT   23   30   30   22   53                                       
CONECT   24    7    7   30   54                                       
CONECT   25   29   21   55   56                                       
CONECT   26    9   10   57                                            
CONECT   27   13   13    1                                            
CONECT   28    5    6   19                                            
CONECT   29   19   20   25                                            
CONECT   30   24   23   23                                            
CONECT   31    2   19   19                                            
CONECT   32   14   14                                                 
CONECT   33   14   58                                                 
CONECT   34    5    5                                                 
CONECT   35   13                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   33                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
