COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.324  -3.931  -1.893  1.00  0.00           C  
HETATM    2  N   UNL     1       6.607  -0.372  -0.121  1.00  0.00           N  
HETATM    3  O   UNL     1       6.484  -1.567  -0.252  1.00  0.00           O  
HETATM    4  C   UNL     1       4.676  -3.315  -0.651  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.367   0.434  -1.540  1.00  0.00           N  
HETATM    6  O   UNL     1       2.340  -0.831   0.645  1.00  0.00           O  
HETATM    7  C   UNL     1       5.008  -4.168   0.574  1.00  0.00           C  
HETATM    8  O   UNL     1     -10.169   0.204   0.584  1.00  0.00           O  
HETATM    9  C   UNL     1       5.205  -1.918  -0.449  1.00  0.00           C  
HETATM   10  OXT UNL     1     -10.161   0.671  -1.586  1.00  0.00           O  
HETATM   11  C   UNL     1       5.452   0.241  -0.210  1.00  0.00           C  
HETATM   12  C   UNL     1       4.482  -0.775  -0.433  1.00  0.00           C  
HETATM   13  C   UNL     1       2.994  -0.616  -0.608  1.00  0.00           C  
HETATM   14  C   UNL     1       0.986  -0.723   0.660  1.00  0.00           C  
HETATM   15  C   UNL     1       0.289  -0.921   1.845  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.085  -0.812   1.865  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.775  -0.503   0.693  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.072  -0.305  -0.495  1.00  0.00           C  
HETATM   19  C   UNL     1       0.302  -0.411  -0.507  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.253  -0.386   0.710  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.952  -0.588   1.911  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.307  -0.486   1.954  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.022  -0.176   0.786  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.422  -0.061   0.781  1.00  0.00           C  
HETATM   25  CA  UNL     1      -8.057   0.247  -0.411  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.063   0.340  -1.594  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.325   0.031  -0.435  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.930  -0.079  -0.458  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.529   0.371  -0.435  1.00  0.00           C  
HETATM   30  C   UNL     1       5.207   1.701  -0.102  1.00  0.00           C  
HETATM   31  C   UNL     1       5.512   2.375   1.079  1.00  0.00           C  
HETATM   32  C   UNL     1       5.281   3.733   1.174  1.00  0.00           C  
HETATM   33  C   UNL     1       4.747   4.423   0.101  1.00  0.00           C  
HETATM   34  C   UNL     1       4.443   3.759  -1.073  1.00  0.00           C  
HETATM   35  C   UNL     1       4.675   2.402  -1.182  1.00  0.00           C  
HETATM   36  C   UNL     1       6.092   1.624   2.249  1.00  0.00           C  
HETATM   37  C   UNL     1       4.349   1.681  -2.464  1.00  0.00           C  
HETATM   38  H   UNL     1       4.941  -4.941  -2.039  1.00  0.00           H  
HETATM   39  H   UNL     1       5.087  -3.323  -2.766  1.00  0.00           H  
HETATM   40  H   UNL     1       6.405  -3.968  -1.758  1.00  0.00           H  
HETATM   41  H   UNL     1       3.595  -3.278  -0.786  1.00  0.00           H  
HETATM   42  H   UNL     1       6.089  -4.205   0.709  1.00  0.00           H  
HETATM   43  H   UNL     1       4.547  -3.729   1.459  1.00  0.00           H  
HETATM   44  H   UNL     1       4.626  -5.178   0.428  1.00  0.00           H  
HETATM   45  HXT UNL     1     -11.125   0.742  -1.552  1.00  0.00           H  
HETATM   46  H   UNL     1       2.633  -1.343  -1.336  1.00  0.00           H  
HETATM   47  H   UNL     1       2.776   0.392  -0.963  1.00  0.00           H  
HETATM   48  H   UNL     1       0.825  -1.160   2.752  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.627  -0.966   2.786  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.604  -0.066  -1.404  1.00  0.00           H  
HETATM   51  H   UNL     1       0.847  -0.257  -1.427  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.407  -0.827   2.812  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.833  -0.645   2.885  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.991  -0.211   1.687  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.550   0.500  -2.531  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.386   0.076  -1.378  1.00  0.00           H  
HETATM   57  H   UNL     1       5.517   4.256   2.089  1.00  0.00           H  
HETATM   58  H   UNL     1       4.568   5.485   0.180  1.00  0.00           H  
HETATM   59  H   UNL     1       4.026   4.303  -1.908  1.00  0.00           H  
HETATM   60  H   UNL     1       7.180   1.628   2.180  1.00  0.00           H  
HETATM   61  H   UNL     1       5.785   2.105   3.178  1.00  0.00           H  
HETATM   62  H   UNL     1       5.731   0.595   2.235  1.00  0.00           H  
HETATM   63  H   UNL     1       3.294   1.404  -2.467  1.00  0.00           H  
HETATM   64  H   UNL     1       4.555   2.334  -3.311  1.00  0.00           H  
HETATM   65  H   UNL     1       4.960   0.782  -2.541  1.00  0.00           H  
CONECT    1    4   38   39   40                                       
CONECT    2    3   11   11                                            
CONECT    3    2    9                                                 
CONECT    4    1    7    9   41                                       
CONECT    5   25   25   26                                            
CONECT    6   14   13                                                 
CONECT    7    4   42   43   44                                       
CONECT    8   29   29                                                 
CONECT    9    3    4   12   12                                       
CONECT   10   29   45                                                 
CONECT   11    2    2   12   30                                       
CONECT   12    9    9   11   13                                       
CONECT   13    6   12   46   47                                       
CONECT   14    6   19   19   15                                       
CONECT   15   14   16   16   48                                       
CONECT   16   15   15   17   49                                       
CONECT   17   16   20   18   18                                       
CONECT   18   17   17   19   50                                       
CONECT   19   14   14   18   51                                       
CONECT   20   17   21   28   28                                       
CONECT   21   20   22   22   52                                       
CONECT   22   21   21   23   53                                       
CONECT   23   22   24   24   27                                       
CONECT   24   23   23   25   54                                       
CONECT   25    5    5   24   29                                       
CONECT   26    5   27   27   55                                       
CONECT   27   23   26   26   28                                       
CONECT   28   20   20   27   56                                       
CONECT   29    8    8   10   25                                       
CONECT   30   11   31   31   35                                       
CONECT   31   30   30   36   32                                       
CONECT   32   31   33   33   57                                       
CONECT   33   32   32   34   58                                       
CONECT   34   33   35   35   59                                       
CONECT   35   30   34   34   37                                       
CONECT   36   31   60   61   62                                       
CONECT   37   35   63   64   65                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   28                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
