COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.067   2.297  -0.512  1.00  0.00           C  
HETATM    2  N   UNL     1       2.981   0.757  -0.112  1.00  0.00           N  
HETATM    3  O   UNL     1       1.090   3.426  -0.069  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.115   1.397  -1.105  1.00  0.00           C  
HETATM    5  C   UNL     1       0.943   0.545  -1.538  1.00  0.00           C  
HETATM    6  N   UNL     1       0.108   1.392  -0.651  1.00  0.00           N  
HETATM    7  N   UNL     1      -6.882  -1.052  -0.264  1.00  0.00           N  
HETATM    8  N   UNL     1      -6.873  -1.084   1.901  1.00  0.00           N  
HETATM    9  N   UNL     1      -5.670  -0.878   1.500  1.00  0.00           N  
HETATM   10  N   UNL     1      -7.668  -1.198   0.892  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.331  -1.103  -1.658  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.753   2.773  -0.302  1.00  0.00           O  
HETATM   13  O   UNL     1       4.657   2.130  -0.589  1.00  0.00           O  
HETATM   14  OXT UNL     1      -1.967   2.428   1.745  1.00  0.00           O  
HETATM   15  O   UNL     1       6.365   1.259   1.180  1.00  0.00           O  
HETATM   16  C   UNL     1       5.905  -3.490  -0.083  1.00  0.00           C  
HETATM   17  C   UNL     1       4.878  -3.212   0.799  1.00  0.00           C  
HETATM   18  C   UNL     1       6.684  -2.463  -0.583  1.00  0.00           C  
HETATM   19  C   UNL     1       4.628  -1.907   1.179  1.00  0.00           C  
HETATM   20  C   UNL     1       6.433  -1.158  -0.203  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.938  -0.408   0.497  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.907  -1.381  -0.680  1.00  0.00           C  
HETATM   23  S   UNL     1      -4.185  -0.593  -0.802  1.00  0.00           S  
HETATM   24  S   UNL     1       0.889  -1.139  -0.837  1.00  0.00           S  
HETATM   25  C   UNL     1      -2.011   2.147   0.428  1.00  0.00           C  
HETATM   26  C   UNL     1       4.241   1.201   0.070  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.589  -0.174  -0.132  1.00  0.00           C  
HETATM   28  CA  UNL     1      -1.160   1.079  -0.127  1.00  0.00           C  
HETATM   29  C   UNL     1       5.405  -0.880   0.678  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.621  -0.847   0.186  1.00  0.00           C  
HETATM   31  C   UNL     1       5.132   0.543   1.092  1.00  0.00           C  
HETATM   32  H   UNL     1       2.648   0.014   0.415  1.00  0.00           H  
HETATM   33  HA  UNL     1       2.669   1.845  -1.930  1.00  0.00           H  
HETATM   34  H   UNL     1       0.712   0.590  -2.602  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.609  -0.101  -1.987  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.525  -1.482  -2.286  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.195  -1.763  -1.737  1.00  0.00           H  
HETATM   38  HXT UNL     1      -2.543   3.136   2.063  1.00  0.00           H  
HETATM   39  H   UNL     1       6.104  -4.510  -0.377  1.00  0.00           H  
HETATM   40  H   UNL     1       4.269  -4.015   1.189  1.00  0.00           H  
HETATM   41  H   UNL     1       7.487  -2.680  -1.272  1.00  0.00           H  
HETATM   42  H   UNL     1       3.824  -1.690   1.868  1.00  0.00           H  
HETATM   43  H   UNL     1       7.041  -0.355  -0.594  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.196   0.440   1.130  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.906  -1.315   1.100  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.321  -1.606  -1.663  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.094  -2.226  -0.016  1.00  0.00           H  
HETATM   48  H   UNL     1       6.860   1.293   0.350  1.00  0.00           H  
HETATM   49  H   UNL     1       4.637   0.550   2.063  1.00  0.00           H  
CONECT    1    4    3    3    6                                       
CONECT    2   26    4   32                                            
CONECT    3    1    1                                                 
CONECT    4    2    1    5   33                                       
CONECT    5    4   24    6   34                                       
CONECT    6    1    5   28                                            
CONECT    7   10   30   11                                            
CONECT    8    9   10   10                                            
CONECT    9    8   30   30                                            
CONECT   10    8    8    7                                            
CONECT   11    7   35   36   37                                       
CONECT   12   25   25                                                 
CONECT   13   26   26                                                 
CONECT   14   25   38                                                 
CONECT   15   31   48                                                 
CONECT   16   17   17   18   39                                       
CONECT   17   16   16   19   40                                       
CONECT   18   16   20   20   41                                       
CONECT   19   17   29   29   42                                       
CONECT   20   18   18   29   43                                       
CONECT   21   27   23   44   45                                       
CONECT   22   24   27   46   47                                       
CONECT   23   30   21                                                 
CONECT   24    5   22                                                 
CONECT   25   28   12   12   14                                       
CONECT   26   31   13   13    2                                       
CONECT   27   28   28   22   21                                       
CONECT   28    6   25   27   27                                       
CONECT   29   19   19   20   31                                       
CONECT   30    9    9    7   23                                       
CONECT   31   29   15   26   49                                       
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   15                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
