COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.025   3.009   1.502  1.00  0.00           C  
HETATM    2  C   UNL     1       7.950   2.710   0.161  1.00  0.00           C  
HETATM    3  C   UNL     1       7.039   1.756  -0.288  1.00  0.00           C  
HETATM    4  C   UNL     1       6.206   1.111   0.645  1.00  0.00           C  
HETATM    5  C   UNL     1       6.299   1.431   2.002  1.00  0.00           C  
HETATM    6  C   UNL     1       7.203   2.365   2.419  1.00  0.00           C  
HETATM    7  CA  UNL     1       5.744   0.312  -1.445  1.00  0.00           C  
HETATM    8  C   UNL     1       5.371   0.177  -0.119  1.00  0.00           C  
HETATM    9  C   UNL     1       4.335  -0.730   0.421  1.00  0.00           C  
HETATM   10  C   UNL     1       2.996  -0.550   0.074  1.00  0.00           C  
HETATM   11  C   UNL     1       2.032  -1.403   0.583  1.00  0.00           C  
HETATM   12  C   UNL     1       2.398  -2.434   1.437  1.00  0.00           C  
HETATM   13  C   UNL     1       3.725  -2.615   1.783  1.00  0.00           C  
HETATM   14  C   UNL     1       4.694  -1.774   1.275  1.00  0.00           C  
HETATM   15  C   UNL     1       5.171  -0.430  -2.570  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.601  -1.802   0.328  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.090  -2.371  -0.833  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.363  -2.061  -1.275  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.150  -1.182  -0.555  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.662  -0.610   0.610  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.383  -0.923   1.051  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.680   0.523   0.857  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.754  -0.260   1.266  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.021   0.009   0.798  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.227   1.069  -0.089  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.144   1.854  -0.497  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.881   1.582  -0.021  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.215  -2.147   0.810  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.582   1.360  -0.592  1.00  0.00           C  
HETATM   30  N   UNL     1       6.743   1.260  -1.535  1.00  0.00           N  
HETATM   31  OXT UNL     1       5.621  -0.210  -3.823  1.00  0.00           O  
HETATM   32  O   UNL     1       4.290  -1.246  -2.375  1.00  0.00           O  
HETATM   33  O   UNL     1       0.726  -1.230   0.248  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.433   0.255   1.319  1.00  0.00           O  
HETATM   35  O   UNL     1      -9.778   2.383  -1.447  1.00  0.00           O  
HETATM   36  O   UNL     1     -10.522   0.677  -0.236  1.00  0.00           O  
HETATM   37  H   UNL     1       8.732   3.749   1.846  1.00  0.00           H  
HETATM   38  H   UNL     1       8.596   3.214  -0.543  1.00  0.00           H  
HETATM   39  H   UNL     1       5.660   0.938   2.720  1.00  0.00           H  
HETATM   40  H   UNL     1       7.275   2.612   3.468  1.00  0.00           H  
HETATM   41  H   UNL     1       2.712   0.254  -0.590  1.00  0.00           H  
HETATM   42  H   UNL     1       1.644  -3.098   1.834  1.00  0.00           H  
HETATM   43  H   UNL     1       4.004  -3.419   2.448  1.00  0.00           H  
HETATM   44  H   UNL     1       5.730  -1.918   1.547  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.477  -3.058  -1.397  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.743  -2.506  -2.182  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.144  -0.940  -0.901  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.001  -0.479   1.958  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.595  -1.079   1.951  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.855  -0.600   1.116  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.299   2.677  -1.179  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.044   2.188  -0.336  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.181  -2.081   1.897  1.00  0.00           H  
HETATM   54  H   UNL     1       0.036  -3.161   0.499  1.00  0.00           H  
HETATM   55  H   UNL     1       7.174   1.536  -2.359  1.00  0.00           H  
HETATM   56  HXT UNL     1       5.183  -0.746  -4.498  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.684   2.535  -1.750  1.00  0.00           H  
CONECT    1    6    2    2   37                                       
CONECT    2    1    1    3   38                                       
CONECT    3    4    4    2   30                                       
CONECT    4    5    8    3    3                                       
CONECT    5    6    6    4   39                                       
CONECT    6    5    5    1   40                                       
CONECT    7    8    8   30   15                                       
CONECT    8    9    4    7    7                                       
CONECT    9   10   10   14    8                                       
CONECT   10   11    9    9   41                                       
CONECT   11   33   12   12   10                                       
CONECT   12   11   11   13   42                                       
CONECT   13   12   14   14   43                                       
CONECT   14   13   13    9   44                                       
CONECT   15    7   32   32   31                                       
CONECT   16   28   21   21   17                                       
CONECT   17   16   18   18   45                                       
CONECT   18   17   17   19   46                                       
CONECT   19   20   20   18   47                                       
CONECT   20   21   34   19   19                                       
CONECT   21   16   16   20   48                                       
CONECT   22   27   34   23   23                                       
CONECT   23   22   22   24   49                                       
CONECT   24   25   25   23   50                                       
CONECT   25   26   29   24   24                                       
CONECT   26   27   27   25   51                                       
CONECT   27   26   26   22   52                                       
CONECT   28   33   16   53   54                                       
CONECT   29   36   36   35   25                                       
CONECT   30    3    7   55                                            
CONECT   31   15   56                                                 
CONECT   32   15   15                                                 
CONECT   33   28   11                                                 
CONECT   34   22   20                                                 
CONECT   35   29   57                                                 
CONECT   36   29   29                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
