COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.123   6.023   2.138  1.00  0.00           C  
HETATM    2  C   UNL     1       0.431   4.579   2.539  1.00  0.00           C  
HETATM    3  C   UNL     1       0.125   3.647   1.364  1.00  0.00           C  
HETATM    4  C   UNL     1       0.433   2.203   1.765  1.00  0.00           C  
HETATM    5  CA  UNL     1       0.057   1.264   0.618  1.00  0.00           C  
HETATM    6  CD2 UNL     1       3.948  -0.783  -1.008  1.00  0.00           C  
HETATM    7  CE3 UNL     1       4.057   0.571  -0.685  1.00  0.00           C  
HETATM    8  CZ3 UNL     1       4.275   1.489  -1.673  1.00  0.00           C  
HETATM    9  CH2 UNL     1       4.388   1.087  -2.997  1.00  0.00           C  
HETATM   10  CZ2 UNL     1       4.284  -0.244  -3.338  1.00  0.00           C  
HETATM   11  C   UNL     1       0.426  -0.150   0.984  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.164   0.494  -1.084  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.327  -0.788  -0.265  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.759  -1.252  -0.338  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.154  -2.118  -1.341  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.468  -2.544  -1.409  1.00  0.00           C  
HETATM   17  C   UNL     1       1.857  -2.045   3.089  1.00  0.00           C  
HETATM   18  CA  UNL     1       2.067  -1.839   1.611  1.00  0.00           C  
HETATM   19  CB  UNL     1       3.537  -2.088   1.266  1.00  0.00           C  
HETATM   20  CG  UNL     1       3.723  -2.002  -0.227  1.00  0.00           C  
HETATM   21  CD1 UNL     1       3.715  -3.027  -1.094  1.00  0.00           C  
HETATM   22  CE2 UNL     1       4.069  -1.197  -2.348  1.00  0.00           C  
HETATM   23  CA  UNL     1      -1.711   0.966  -1.010  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.522   2.157  -1.914  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.386  -2.104  -0.474  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.991  -1.238   0.529  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.676  -0.817   0.600  1.00  0.00           C  
HETATM   28  NE1 UNL     1       3.916  -2.565  -2.366  1.00  0.00           N  
HETATM   29  N   UNL     1       1.709  -0.464   1.255  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.389   1.345   0.372  1.00  0.00           N  
HETATM   31  O   UNL     1       1.449  -1.137   3.774  1.00  0.00           O  
HETATM   32  OXT UNL     1       2.122  -3.238   3.644  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.641   3.275  -1.473  1.00  0.00           O  
HETATM   34  OXT UNL     1      -1.221   1.975  -3.210  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.431  -1.007   1.036  1.00  0.00           O  
HETATM   36  H   UNL     1      -0.930   6.109   1.870  1.00  0.00           H  
HETATM   37  H   UNL     1       0.341   6.687   2.974  1.00  0.00           H  
HETATM   38  H   UNL     1       0.739   6.302   1.283  1.00  0.00           H  
HETATM   39  H   UNL     1       1.484   4.493   2.806  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.185   4.300   3.394  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.928   3.734   1.097  1.00  0.00           H  
HETATM   42  H   UNL     1       0.741   3.926   0.509  1.00  0.00           H  
HETATM   43  H   UNL     1       1.497   2.105   1.982  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.144   1.942   2.652  1.00  0.00           H  
HETATM   45  HA  UNL     1       0.595   1.558  -0.284  1.00  0.00           H  
HETATM   46  HE3 UNL     1       3.970   0.891   0.343  1.00  0.00           H  
HETATM   47  HZ3 UNL     1       4.359   2.536  -1.422  1.00  0.00           H  
HETATM   48  HH2 UNL     1       4.555   1.825  -3.767  1.00  0.00           H  
HETATM   49  HZ2 UNL     1       4.373  -0.547  -4.371  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.430   0.298  -2.123  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.818   1.268  -0.683  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.673  -1.561  -0.667  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.062  -0.591   0.774  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.437  -2.461  -2.072  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.776  -3.220  -2.192  1.00  0.00           H  
HETATM   56  HA  UNL     1       1.440  -2.534   1.054  1.00  0.00           H  
HETATM   57  HB1 UNL     1       4.157  -1.337   1.753  1.00  0.00           H  
HETATM   58  HB2 UNL     1       3.828  -3.080   1.612  1.00  0.00           H  
HETATM   59  HD1 UNL     1       3.571  -4.064  -0.826  1.00  0.00           H  
HETATM   60  HA  UNL     1      -1.050   0.159  -1.329  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.412  -2.436  -0.527  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.707  -0.898   1.262  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.367  -0.141   1.383  1.00  0.00           H  
HETATM   64  HE1 UNL     1       3.940  -3.118  -3.162  1.00  0.00           H  
HETATM   65  H   UNL     1       2.394   0.221   1.213  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.900   0.776   1.031  1.00  0.00           H  
HETATM   67  HXT UNL     1       1.972  -3.323   4.596  1.00  0.00           H  
HETATM   68  HXT UNL     1      -1.110   2.769  -3.750  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    3    1   39   40                                       
CONECT    3    4    2   41   42                                       
CONECT    4    3    5   43   44                                       
CONECT    5    4   30   11   45                                       
CONECT    6   22   22    7   20                                       
CONECT    7    8    8    6   46                                       
CONECT    8    9    7    7   47                                       
CONECT    9   10   10    8   48                                       
CONECT   10    9    9   22   49                                       
CONECT   11    5   35   35   29                                       
CONECT   12   23   13   50   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   27   13   15   15                                       
CONECT   15   14   14   16   54                                       
CONECT   16   25   25   15   55                                       
CONECT   17   31   31   32   18                                       
CONECT   18   29   17   19   56                                       
CONECT   19   18   20   57   58                                       
CONECT   20    6   21   21   19                                       
CONECT   21   28   20   20   59                                       
CONECT   22   10   28    6    6                                       
CONECT   23   30   12   24   60                                       
CONECT   24   33   33   23   34                                       
CONECT   25   26   16   16   61                                       
CONECT   26   27   27   25   62                                       
CONECT   27   26   26   14   63                                       
CONECT   28   22   21   64                                            
CONECT   29   11   18   65                                            
CONECT   30    5   23   66                                            
CONECT   31   17   17                                                 
CONECT   32   17   67                                                 
CONECT   33   24   24                                                 
CONECT   34   24   68                                                 
CONECT   35   11   11                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
