COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.500   0.251   0.661  1.00  0.00           C  
HETATM    2  O   UNL     1       3.827  -1.424   2.713  1.00  0.00           O  
HETATM    3  C   UNL     1       3.478  -0.855  -0.396  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.977  -3.451   0.694  1.00  0.00           C  
HETATM    5  C   UNL     1       2.574  -0.433  -1.556  1.00  0.00           C  
HETATM    6  O   UNL     1       5.845  -0.321   1.800  1.00  0.00           O  
HETATM    7  C   UNL     1       0.220   2.869  -1.121  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.463  -2.396   0.719  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.517   0.281  -2.472  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.731  -0.311  -1.066  1.00  0.00           C  
HETATM   11  C   UNL     1       1.573   0.435  -3.635  1.00  0.00           C  
HETATM   12  C   UNL     1       1.743  -1.090  -3.770  1.00  0.00           C  
HETATM   13  C   UNL     1       1.729  -2.676  -1.972  1.00  0.00           C  
HETATM   14  C   UNL     1       0.253  -2.428  -1.611  1.00  0.00           C  
HETATM   15  C   UNL     1       1.116   3.273  -0.145  1.00  0.00           C  
HETATM   16  C   UNL     1       0.636   3.707   1.081  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.735   3.720   1.287  1.00  0.00           C  
HETATM   18  CA  UNL     1      -1.577   3.300   0.260  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.044   3.308   0.463  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.620  -3.762   0.543  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.897  -4.302   0.524  1.00  0.00           C  
HETATM   22  CA  UNL     1      -3.745  -2.089   0.872  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.888  -1.166   1.055  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.078  -1.804   0.740  1.00  0.00           C  
HETATM   25  C   UNL     1       0.738   2.390  -2.453  1.00  0.00           C  
HETATM   26  N   UNL     1       0.847   0.925  -2.439  1.00  0.00           N  
HETATM   27  N   UNL     1       2.484  -1.528  -2.531  1.00  0.00           N  
HETATM   28  N   UNL     1       0.263  -1.308  -0.600  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.076   2.892  -0.900  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.506  -1.611   0.878  1.00  0.00           N  
HETATM   31  O   UNL     1       4.302   0.815   3.116  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.016  -1.608   1.145  1.00  0.00           O  
HETATM   33  OXT UNL     1      -4.678   0.162   1.123  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.508   3.681   1.522  1.00  0.00           O  
HETATM   35  OXT UNL     1      -3.864   2.903  -0.526  1.00  0.00           O  
HETATM   36  S   UNL     1       4.456  -0.307   2.099  1.00  0.00           S  
HETATM   37  H   UNL     1       3.962   1.145   0.243  1.00  0.00           H  
HETATM   38  H   UNL     1       2.480   0.479   0.970  1.00  0.00           H  
HETATM   39  H   UNL     1       4.489  -1.024  -0.766  1.00  0.00           H  
HETATM   40  H   UNL     1       3.094  -1.774   0.047  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.986  -3.838   0.685  1.00  0.00           H  
HETATM   42  H   UNL     1       1.579  -0.201  -1.176  1.00  0.00           H  
HETATM   43  H   UNL     1       2.992   0.450  -2.040  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.541  -0.510  -3.222  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.283   1.027  -2.687  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.742   0.513  -0.353  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.714  -0.782  -1.046  1.00  0.00           H  
HETATM   48  H   UNL     1       2.566   0.885  -3.634  1.00  0.00           H  
HETATM   49  H   UNL     1       1.046   0.794  -4.519  1.00  0.00           H  
HETATM   50  H   UNL     1       0.768  -1.575  -3.816  1.00  0.00           H  
HETATM   51  H   UNL     1       2.325  -1.327  -4.660  1.00  0.00           H  
HETATM   52  H   UNL     1       2.244  -3.010  -1.071  1.00  0.00           H  
HETATM   53  H   UNL     1       1.766  -3.487  -2.698  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.307  -2.130  -2.497  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.184  -3.326  -1.173  1.00  0.00           H  
HETATM   56  H   UNL     1       2.179   3.250  -0.336  1.00  0.00           H  
HETATM   57  H   UNL     1       1.314   4.026   1.859  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.144   4.052   2.230  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.757  -4.399   0.422  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.046  -5.362   0.380  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.045  -0.979   1.452  1.00  0.00           H  
HETATM   62  H   UNL     1       0.640  -2.569   1.037  1.00  0.00           H  
HETATM   63  H   UNL     1       0.050   2.696  -3.241  1.00  0.00           H  
HETATM   64  H   UNL     1       1.720   2.826  -2.639  1.00  0.00           H  
HETATM   65  HXT UNL     1      -5.444   0.719   1.318  1.00  0.00           H  
HETATM   66  HXT UNL     1      -4.813   2.927  -0.346  1.00  0.00           H  
HETATM   67  H   UNL     1       4.768   0.658   3.948  1.00  0.00           H  
CONECT    1   36    3   37   38                                       
CONECT    2   36   36                                                 
CONECT    3    1    5   39   40                                       
CONECT    4   22   21   21   41                                       
CONECT    5    3   27   42   43                                       
CONECT    6   36   36                                                 
CONECT    7   25   15   15   29                                       
CONECT    8   30   24   20   20                                       
CONECT    9   26   10   44   45                                       
CONECT   10    9   28   46   47                                       
CONECT   11   12   26   48   49                                       
CONECT   12   27   11   50   51                                       
CONECT   13   27   14   52   53                                       
CONECT   14   13   28   54   55                                       
CONECT   15    7    7   16   56                                       
CONECT   16   15   17   17   57                                       
CONECT   17   16   16   18   58                                       
CONECT   18   29   29   17   19                                       
CONECT   19   18   34   34   35                                       
CONECT   20    8    8   21   59                                       
CONECT   21    4    4   20   60                                       
CONECT   22   23   30   30    4                                       
CONECT   23   32   32   33   22                                       
CONECT   24   28    8   61   62                                       
CONECT   25   26    7   63   64                                       
CONECT   26   11   25    9                                            
CONECT   27    5   12   13                                            
CONECT   28   14   10   24                                            
CONECT   29    7   18   18                                            
CONECT   30   22   22    8                                            
CONECT   31   36   67                                                 
CONECT   32   23   23                                                 
CONECT   33   23   65                                                 
CONECT   34   19   19                                                 
CONECT   35   19   66                                                 
CONECT   36    2    2    6    6                                       
CONECT   36   31    1                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   31                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
