COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.602   1.479  -0.128  1.00  0.00           C  
HETATM    2  C   UNL     1       5.057   1.813  -0.307  1.00  0.00           C  
HETATM    3  C   UNL     1       5.239   3.275  -0.580  1.00  0.00           C  
HETATM    4  C   UNL     1       3.110   3.887   0.359  1.00  0.00           C  
HETATM    5  C   UNL     1       4.583  -3.181  -0.164  1.00  0.00           C  
HETATM    6  C   UNL     1       1.330  -1.475  -0.264  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.231   1.362   1.339  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.575   1.113   1.506  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.207   0.145   0.726  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.508  -0.150  -0.202  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.358  -0.631   1.245  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.170  -0.351   2.180  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.209   0.293  -3.846  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.944   0.023  -2.532  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.014   0.071  -1.448  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.857  -0.407  -0.024  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.517  -0.600   2.343  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.654  -0.123   0.906  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.479  -0.571  -0.225  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.135  -0.322  -0.393  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.502   0.646   0.388  1.00  0.00           C  
HETATM   22  C   UNL     1       0.942   0.918   0.203  1.00  0.00           C  
HETATM   23  C   UNL     1       1.817  -0.137  -0.116  1.00  0.00           C  
HETATM   24  N   UNL     1       0.943  -2.537  -0.382  1.00  0.00           N  
HETATM   25  N   UNL     1       1.400   2.153   0.332  1.00  0.00           N  
HETATM   26  C   UNL     1       2.682   2.455   0.182  1.00  0.00           C  
HETATM   27  N   UNL     1       4.383   4.154  -0.282  1.00  0.00           N  
HETATM   28  C   ACE A   0       3.182   0.157  -0.286  1.00  0.00           C  
HETATM   29  N   UNL     1       4.089  -0.843  -0.603  1.00  0.00           N  
HETATM   30  CA  UNL     1       4.113  -1.881   0.435  1.00  0.00           C  
HETATM   31  CB  UNL     1       5.067  -1.461   1.555  1.00  0.00           C  
HETATM   32  O   UNL     1       4.869  -3.237  -1.337  1.00  0.00           O  
HETATM   33  OXT UNL     1       4.684  -4.277   0.604  1.00  0.00           O  
HETATM   34  H   UNL     1       5.600   1.547   0.600  1.00  0.00           H  
HETATM   35  H   UNL     1       5.456   1.241  -1.145  1.00  0.00           H  
HETATM   36  H   UNL     1       6.153   3.594  -1.057  1.00  0.00           H  
HETATM   37  H   UNL     1       2.352   4.541  -0.072  1.00  0.00           H  
HETATM   38  H   UNL     1       3.198   4.102   1.424  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.742   2.114   1.940  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.139   1.667   2.241  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.411  -0.832   1.379  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.516  -0.332   3.040  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.439  -0.463  -3.995  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.919   0.257  -4.673  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.747   1.280  -3.808  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.714   0.780  -2.384  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.406  -0.964  -2.570  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.519  -0.432  -0.877  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.917  -0.776   3.331  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.969  -1.320  -0.829  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.571  -0.877  -1.128  1.00  0.00           H  
HETATM   52  H   UNL     1       3.886  -1.241  -1.508  1.00  0.00           H  
HETATM   53  HA  UNL     1       3.110  -2.010   0.843  1.00  0.00           H  
HETATM   54  HB1 UNL     1       6.070  -1.332   1.148  1.00  0.00           H  
HETATM   55  HB2 UNL     1       4.727  -0.520   1.988  1.00  0.00           H  
HETATM   56  HB3 UNL     1       5.085  -2.231   2.326  1.00  0.00           H  
HETATM   57  HXT UNL     1       4.990  -5.088   0.175  1.00  0.00           H  
CONECT    1   26   26   28    2                                       
CONECT    2    1    3   34   35                                       
CONECT    3   27   27    2   36                                       
CONECT    4   26   27   37   38                                       
CONECT    5   30   32   32   33                                       
CONECT    6   24   24   24   23                                       
CONECT    7    8   21   21   39                                       
CONECT    8    9    9    7   40                                       
CONECT    9   18    8    8   19                                       
CONECT   10   16   16   18   15                                       
CONECT   11   17   17   16   41                                       
CONECT   12   17   18   18   42                                       
CONECT   13   14   43   44   45                                       
CONECT   14   15   13   46   47                                       
CONECT   15   10   14                                                 
CONECT   16   11   10   10   48                                       
CONECT   17   11   11   12   49                                       
CONECT   18   12   12   10    9                                       
CONECT   19    9   20   20   50                                       
CONECT   20   19   19   21   51                                       
CONECT   21    7    7   20   22                                       
CONECT   22   21   25   25   23                                       
CONECT   23   22    6   28   28                                       
CONECT   24    6    6    6                                            
CONECT   25   22   22   26                                            
CONECT   26   25    4    1    1                                       
CONECT   27    4    3    3                                            
CONECT   28   23   23    1   29                                       
CONECT   29   28   30   52                                            
CONECT   30   29   31    5   53                                       
CONECT   31   30   54   55   56                                       
CONECT   32    5    5                                                 
CONECT   33    5   57                                                 
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
