COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.258   1.011  -1.409  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.005   1.936  -0.483  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.532   3.085   0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.401   3.768   0.836  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.580   3.174   1.027  1.00  0.00           C  
HETATM    6  C   UNL     1       2.684   0.830  -1.216  1.00  0.00           C  
HETATM    7  CA  UNL     1       2.113  -0.132  -0.242  1.00  0.00           C  
HETATM    8  C   UNL     1       0.026  -1.159   0.472  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.970  -1.896  -0.426  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.477   0.010  -0.596  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.096  -3.461  -2.237  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.917  -2.698   0.428  1.00  0.00           C  
HETATM   13  C   UNL     1       2.418  -1.313   1.941  1.00  0.00           C  
HETATM   14  C   UNL     1       3.101  -0.719   0.707  1.00  0.00           C  
HETATM   15  C   UNL     1       4.074   0.374   1.153  1.00  0.00           C  
HETATM   16  C   UNL     1       5.792   1.761   0.246  1.00  0.00           C  
HETATM   17  N   UNL     1       0.886  -0.314  -0.347  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.728  -0.923  -1.216  1.00  0.00           N  
HETATM   19  N   UNL     1       6.571   2.200  -0.762  1.00  0.00           N  
HETATM   20  O   UNL     1       3.189   0.426  -2.243  1.00  0.00           O  
HETATM   21  OXT UNL     1       2.641   2.152  -0.961  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.523   0.045   0.615  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.261  -2.773  -1.304  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.915  -3.905   0.363  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.763  -2.072   1.261  1.00  0.00           O  
HETATM   26  O   UNL     1       4.878   0.798   0.021  1.00  0.00           O  
HETATM   27  O   UNL     1       5.913   2.234   1.359  1.00  0.00           O  
HETATM   28  S   UNL     1      -5.637   1.670   0.116  1.00  0.00           S  
HETATM   29  S   UNL     1       1.049  -2.368   1.366  1.00  0.00           S  
HETATM   30  H   UNL     1      -3.967   0.486  -2.048  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.572   1.591  -2.027  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.546   3.454  -0.236  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.144   4.710   1.296  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.379   3.559   1.643  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.516  -0.541   1.187  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.476  -4.036  -2.925  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.763  -4.136  -1.699  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.687  -2.738  -2.798  1.00  0.00           H  
HETATM   39  H   UNL     1       3.132  -1.911   2.506  1.00  0.00           H  
HETATM   40  H   UNL     1       2.028  -0.512   2.569  1.00  0.00           H  
HETATM   41  H   UNL     1       3.659  -1.504   0.197  1.00  0.00           H  
HETATM   42  H   UNL     1       3.513   1.225   1.539  1.00  0.00           H  
HETATM   43  H   UNL     1       4.725  -0.017   1.935  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.691  -0.951  -2.185  1.00  0.00           H  
HETATM   45  H   UNL     1       6.473   1.822  -1.650  1.00  0.00           H  
HETATM   46  H   UNL     1       7.228   2.894  -0.600  1.00  0.00           H  
HETATM   47  HXT UNL     1       3.026   2.740  -1.625  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.352  -2.629   1.789  1.00  0.00           H  
CONECT    1    2   10   30   31                                       
CONECT    2    1    3    3   28                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3    5    5   33                                       
CONECT    5    4    4   28   34                                       
CONECT    6   20   20   21    7                                       
CONECT    7   14   17   17    6                                       
CONECT    8    9   17   29   35                                       
CONECT    9    8   12   18   23                                       
CONECT   10    1   18   22   22                                       
CONECT   11   23   36   37   38                                       
CONECT   12    9   24   24   25                                       
CONECT   13   14   29   39   40                                       
CONECT   14    7   13   15   41                                       
CONECT   15   14   26   42   43                                       
CONECT   16   19   26   27   27                                       
CONECT   17    7    7    8                                            
CONECT   18    9   10   44                                            
CONECT   19   16   45   46                                            
CONECT   20    6    6                                                 
CONECT   21    6   47                                                 
CONECT   22   10   10                                                 
CONECT   23    9   11                                                 
CONECT   24   12   12                                                 
CONECT   25   12   48                                                 
CONECT   26   15   16                                                 
CONECT   27   16   16                                                 
CONECT   28    2    5                                                 
CONECT   29    8   13                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
