COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.140  -1.742  -2.621  1.00  0.00           C  
HETATM    2  O   UNL     1       4.075  -1.993   2.510  1.00  0.00           O  
HETATM    3  C   UNL     1       3.817   0.142  -1.870  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.156  -0.921   0.030  1.00  0.00           C  
HETATM    5  C   UNL     1       2.383   0.600  -1.596  1.00  0.00           C  
HETATM    6  OXT UNL     1      -1.208  -3.350  -1.380  1.00  0.00           O  
HETATM    7  C   UNL     1       2.408   1.889  -0.772  1.00  0.00           C  
HETATM    8  N   UNL     1       1.261  -0.078   1.613  1.00  0.00           N  
HETATM    9  C   UNL     1       0.304   2.700  -1.683  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.150   3.178  -1.504  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.615   2.592   0.301  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.778   3.321   1.369  1.00  0.00           C  
HETATM   13  C   UNL     1       0.547   2.960   1.829  1.00  0.00           C  
HETATM   14  C   UNL     1       1.019   3.491   0.463  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.799   1.095   1.035  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.047  -0.008   1.733  1.00  0.00           C  
HETATM   17  N   UNL     1       3.793  -1.159  -2.553  1.00  0.00           N  
HETATM   18  C   UNL     1       3.202  -1.039  -3.892  1.00  0.00           C  
HETATM   19  OXT UNL     1       4.065  -0.085   1.378  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.742  -0.936   2.492  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.046  -1.949   3.132  1.00  0.00           C  
HETATM   22  C   UNL     1       1.331  -1.999   2.988  1.00  0.00           C  
HETATM   23  CA  UNL     1       1.965  -1.033   2.209  1.00  0.00           C  
HETATM   24  C   UNL     1       3.436  -1.072   2.044  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.801   1.386  -1.804  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.387   0.148  -1.176  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.620   0.220  -0.547  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.431  -2.100  -0.041  1.00  0.00           C  
HETATM   29  CA  UNL     1      -3.195  -2.098  -0.684  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.405  -3.348  -0.763  1.00  0.00           C  
HETATM   31  N   UNL     1       1.033   2.296  -0.457  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.879   2.027  -0.856  1.00  0.00           N  
HETATM   33  N   UNL     1      -0.782   2.304   1.870  1.00  0.00           N  
HETATM   34  N   UNL     1      -2.718  -0.982  -1.224  1.00  0.00           N  
HETATM   35  O   UNL     1      -2.837  -4.371  -0.272  1.00  0.00           O  
HETATM   36  H   UNL     1       5.526  -1.884  -1.612  1.00  0.00           H  
HETATM   37  H   UNL     1       5.094  -2.704  -3.131  1.00  0.00           H  
HETATM   38  H   UNL     1       5.799  -1.070  -3.171  1.00  0.00           H  
HETATM   39  H   UNL     1       4.318   0.875  -2.502  1.00  0.00           H  
HETATM   40  H   UNL     1       4.355   0.047  -0.927  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.115  -0.891   0.526  1.00  0.00           H  
HETATM   42  H   UNL     1       1.873   0.783  -2.542  1.00  0.00           H  
HETATM   43  H   UNL     1       1.854  -0.175  -1.042  1.00  0.00           H  
HETATM   44  HXT UNL     1      -0.729  -4.190  -1.406  1.00  0.00           H  
HETATM   45  H   UNL     1       2.958   1.718   0.154  1.00  0.00           H  
HETATM   46  H   UNL     1       2.898   2.677  -1.344  1.00  0.00           H  
HETATM   47  H   UNL     1       0.297   1.850  -2.366  1.00  0.00           H  
HETATM   48  H   UNL     1       0.866   3.504  -2.158  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.181   4.055  -0.858  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.593   3.406  -2.473  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.150   1.778   0.790  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.355   3.295  -0.083  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.258   4.170   0.926  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.418   3.657   2.185  1.00  0.00           H  
HETATM   55  H   UNL     1       1.287   2.243   2.185  1.00  0.00           H  
HETATM   56  H   UNL     1       0.531   3.796   2.528  1.00  0.00           H  
HETATM   57  H   UNL     1       0.324   4.245   0.092  1.00  0.00           H  
HETATM   58  H   UNL     1       2.022   3.912   0.549  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.324   1.309   0.077  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.830   0.783   0.868  1.00  0.00           H  
HETATM   61  H   UNL     1       3.133  -2.027  -4.348  1.00  0.00           H  
HETATM   62  H   UNL     1       2.206  -0.605  -3.812  1.00  0.00           H  
HETATM   63  H   UNL     1       3.830  -0.398  -4.510  1.00  0.00           H  
HETATM   64  HXT UNL     1       5.027  -0.154   1.297  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.816  -0.869   2.585  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.566  -2.684   3.730  1.00  0.00           H  
HETATM   67  H   UNL     1       1.905  -2.775   3.472  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.259   1.113  -2.709  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.602   2.080  -2.056  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.158   1.155  -0.506  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.818  -3.008   0.398  1.00  0.00           H  
CONECT    1   17   36   37   38                                       
CONECT    2   24   24                                                 
CONECT    3   17    5   39   40                                       
CONECT    4   28   28   27   41                                       
CONECT    5    3    7   42   43                                       
CONECT    6   30   44                                                 
CONECT    7    5   31   45   46                                       
CONECT    8   16   23   23                                            
CONECT    9   31   10   47   48                                       
CONECT   10    9   32   49   50                                       
CONECT   11   12   32   51   52                                       
CONECT   12   33   11   53   54                                       
CONECT   13   14   33   55   56                                       
CONECT   14   13   31   57   58                                       
CONECT   15   33   16   59   60                                       
CONECT   16   15   20   20    8                                       
CONECT   17   18    1    3                                            
CONECT   18   17   61   62   63                                       
CONECT   19   24   64                                                 
CONECT   20   16   16   21   65                                       
CONECT   21   20   22   22   66                                       
CONECT   22   21   21   23   67                                       
CONECT   23    8    8   22   24                                       
CONECT   24   23    2    2   19                                       
CONECT   25   32   26   68   69                                       
CONECT   26   34   25   27   27                                       
CONECT   27   26   26    4   70                                       
CONECT   28   29    4    4   71                                       
CONECT   29   30   34   34   28                                       
CONECT   30   35   35    6   29                                       
CONECT   31    7   14    9                                            
CONECT   32   10   11   25                                            
CONECT   33   13   15   12                                            
CONECT   34   29   29   26                                            
CONECT   35   30   30                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
