COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       5.074  -1.254  -1.498  1.00  0.00           S  
HETATM    2  OXT UNL     1       3.610  -3.061  -0.054  1.00  0.00           O  
HETATM    3  O   UNL     1       5.859  -0.292   2.462  1.00  0.00           O  
HETATM    4  OXT UNL     1       7.563   0.984   1.866  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.227  -1.382  -0.930  1.00  0.00           O  
HETATM    6  O   UNL     1      -3.199   0.867   1.774  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.538   1.016   2.012  1.00  0.00           O  
HETATM    8  O   UNL     1      -8.013   0.145   1.235  1.00  0.00           O  
HETATM    9  N   UNL     1       4.280   0.265   0.427  1.00  0.00           N  
HETATM   10  N   UNL     1       1.395  -0.116  -0.100  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.294  -0.036  -0.042  1.00  0.00           N  
HETATM   12  N   UNL     1      -4.589  -0.147   0.371  1.00  0.00           N  
HETATM   13  N   UNL     1      -7.081  -1.376  -0.096  1.00  0.00           N  
HETATM   14  C   UNL     1       3.713  -0.181  -0.876  1.00  0.00           C  
HETATM   15  C   UNL     1       6.420  -0.233  -0.776  1.00  0.00           C  
HETATM   16  CA  UNL     1       5.698   0.611   0.291  1.00  0.00           C  
HETATM   17  CA  UNL     1       2.427  -0.984  -0.673  1.00  0.00           C  
HETATM   18  C   UNL     1       2.695  -2.132   0.266  1.00  0.00           C  
HETATM   19  C   UNL     1       7.486  -1.123  -0.134  1.00  0.00           C  
HETATM   20  C   UNL     1       7.045   0.668  -1.844  1.00  0.00           C  
HETATM   21  C   UNL     1       6.379   0.401   1.619  1.00  0.00           C  
HETATM   22  C   UNL     1       0.092  -0.404  -0.288  1.00  0.00           C  
HETATM   23  CA  UNL     1      -0.970   0.489   0.301  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.821   1.881  -0.256  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.355   0.251   0.739  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.321   2.181  -1.510  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.190   2.860   0.488  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.761  -0.994  -0.810  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.860  -2.026  -0.573  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.661   0.232   1.095  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.184   3.458  -2.021  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.054   4.137  -0.023  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.006  -0.329   0.752  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.388  -1.857  -0.549  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.549   4.435  -1.278  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.787  -1.120  -1.829  1.00  0.00           C  
HETATM   37  O   UNL     1       2.086  -2.217   1.306  1.00  0.00           O  
HETATM   38  HXT UNL     1       3.747  -3.779   0.579  1.00  0.00           H  
HETATM   39  HXT UNL     1       7.961   0.820   2.732  1.00  0.00           H  
HETATM   40  H   UNL     1       4.146  -0.437   1.139  1.00  0.00           H  
HETATM   41  H   UNL     1       1.649   0.666   0.414  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.408  -0.589  -0.830  1.00  0.00           H  
HETATM   43  H   UNL     1       3.545   0.665  -1.542  1.00  0.00           H  
HETATM   44  HA  UNL     1       5.779   1.664   0.021  1.00  0.00           H  
HETATM   45  HA  UNL     1       2.085  -1.371  -1.632  1.00  0.00           H  
HETATM   46  H   UNL     1       8.241  -0.499   0.343  1.00  0.00           H  
HETATM   47  H   UNL     1       7.020  -1.766   0.614  1.00  0.00           H  
HETATM   48  H   UNL     1       7.955  -1.740  -0.901  1.00  0.00           H  
HETATM   49  H   UNL     1       6.276   1.311  -2.272  1.00  0.00           H  
HETATM   50  H   UNL     1       7.822   1.282  -1.390  1.00  0.00           H  
HETATM   51  H   UNL     1       7.481   0.051  -2.629  1.00  0.00           H  
HETATM   52  HA  UNL     1      -0.860   0.517   1.385  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.817   1.417  -2.090  1.00  0.00           H  
HETATM   54  H   UNL     1       0.196   2.627   1.470  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.031  -0.371  -1.663  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.824  -1.508  -1.023  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.522  -2.747   0.171  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.071  -2.547  -1.507  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.574   3.692  -3.001  1.00  0.00           H  
HETATM   60  H   UNL     1       0.439   4.902   0.559  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.333  -2.927  -0.748  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.133  -1.669   0.225  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.442   5.433  -1.678  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.760  -1.477  -2.166  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.842  -0.049  -1.630  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.043  -1.307  -2.603  1.00  0.00           H  
CONECT    1   15   14                                                 
CONECT    2   18   38                                                 
CONECT    3   21   21                                                 
CONECT    4   21   39                                                 
CONECT    5   22   22                                                 
CONECT    6   25   25                                                 
CONECT    7   30   30                                                 
CONECT    8   33   33                                                 
CONECT    9   16   14   40                                            
CONECT   10   17   22   41                                            
CONECT   11   23   25   42                                            
CONECT   12   25   28   30                                            
CONECT   13   29   34   33                                            
CONECT   14    9   17    1   43                                       
CONECT   15   16   19   20    1                                       
CONECT   16   21    9   15   44                                       
CONECT   17   18   10   14   45                                       
CONECT   18   37   37   17    2                                       
CONECT   19   15   46   47   48                                       
CONECT   20   15   49   50   51                                       
CONECT   21    3    3    4   16                                       
CONECT   22   10   23    5    5                                       
CONECT   23   24   22   11   52                                       
CONECT   24   26   23   27   27                                       
CONECT   25    6    6   11   12                                       
CONECT   26   31   31   24   53                                       
CONECT   27   24   24   32   54                                       
CONECT   28   29   12   55   56                                       
CONECT   29   28   13   57   58                                       
CONECT   30   12    7    7   33                                       
CONECT   31   26   26   35   59                                       
CONECT   32   35   35   27   60                                       
CONECT   33   13   30    8    8                                       
CONECT   34   13   36   61   62                                       
CONECT   35   31   32   32   63                                       
CONECT   36   34   64   65   66                                       
CONECT   37   18   18                                                 
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   23                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
