COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.389   2.108  -1.923  1.00  0.00           C  
HETATM    2  C   UNL     1       3.060  -0.202   0.033  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.298   1.127  -0.940  1.00  0.00           C  
HETATM    4  C   UNL     1       1.015   0.786  -0.355  1.00  0.00           C  
HETATM    5  CA  UNL     1       1.603   1.365   0.758  1.00  0.00           C  
HETATM    6  C   UNL     1       1.019   2.436   1.567  1.00  0.00           C  
HETATM    7  C   UNL     1       4.080  -1.956  -1.244  1.00  0.00           C  
HETATM    8  C   UNL     1       2.985  -1.984  -2.098  1.00  0.00           C  
HETATM    9  C   UNL     1       5.477  -2.430   1.389  1.00  0.00           C  
HETATM   10  C   UNL     1       6.576  -0.727  -0.073  1.00  0.00           C  
HETATM   11  C   UNL     1       5.318  -1.057   0.733  1.00  0.00           C  
HETATM   12  C   UNL     1       1.954  -0.235  -0.837  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.457   0.461  -0.505  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.639  -2.453   1.380  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.640  -1.560   0.690  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.415  -0.814   0.377  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.701   0.779  -1.055  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.761   1.779  -2.050  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.622   2.427  -2.464  1.00  0.00           C  
HETATM   20  C   UNL     1       4.123  -1.076  -0.186  1.00  0.00           C  
HETATM   21  C   UNL     1       1.932  -1.136  -1.903  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.333  -1.635   1.012  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.707   0.052  -0.530  1.00  0.00           N  
HETATM   24  N   UNL     1       2.828   0.768   0.980  1.00  0.00           N  
HETATM   25  O   UNL     1      -6.012  -0.774  -0.155  1.00  0.00           O  
HETATM   26  OXT UNL     1       1.692   2.919   2.632  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.072   2.889   1.280  1.00  0.00           O  
HETATM   28  S   UNL     1      -1.687  -0.806   0.697  1.00  0.00           S  
HETATM   29  H   UNL     1       0.499   2.622  -2.260  1.00  0.00           H  
HETATM   30  H   UNL     1       4.905  -2.632  -1.411  1.00  0.00           H  
HETATM   31  H   UNL     1       2.967  -2.681  -2.923  1.00  0.00           H  
HETATM   32  H   UNL     1       5.624  -3.187   0.618  1.00  0.00           H  
HETATM   33  H   UNL     1       6.341  -2.417   2.053  1.00  0.00           H  
HETATM   34  H   UNL     1       4.581  -2.665   1.963  1.00  0.00           H  
HETATM   35  H   UNL     1       6.722  -1.484  -0.844  1.00  0.00           H  
HETATM   36  H   UNL     1       6.462   0.251  -0.540  1.00  0.00           H  
HETATM   37  H   UNL     1       7.439  -0.714   0.591  1.00  0.00           H  
HETATM   38  H   UNL     1       5.171  -0.301   1.504  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.742  -3.383   0.821  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.293  -2.673   2.390  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.604  -1.950   1.428  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.713   2.040  -2.487  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.689   3.189  -3.226  1.00  0.00           H  
HETATM   44  H   UNL     1       1.084  -1.163  -2.572  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.036  -2.264   1.688  1.00  0.00           H  
HETATM   46  H   UNL     1       3.435   0.997   1.701  1.00  0.00           H  
HETATM   47  HXT UNL     1       1.227   3.624   3.104  1.00  0.00           H  
CONECT    1   19   19    3   29                                       
CONECT    2   12   24   20   20                                       
CONECT    3   13   13    1    4                                       
CONECT    4    3    5    5   12                                       
CONECT    5    6    4    4   24                                       
CONECT    6   27   27   26    5                                       
CONECT    7    8    8   20   30                                       
CONECT    8   21    7    7   31                                       
CONECT    9   11   32   33   34                                       
CONECT   10   11   35   36   37                                       
CONECT   11   20    9   10   38                                       
CONECT   12    4   21   21    2                                       
CONECT   13   17   28    3    3                                       
CONECT   14   15   39   40   41                                       
CONECT   15   22   14   25   25                                       
CONECT   16   23   23   22   28                                       
CONECT   17   23   18   18   13                                       
CONECT   18   17   17   19   42                                       
CONECT   19   18    1    1   43                                       
CONECT   20    2    2    7   11                                       
CONECT   21   12   12    8   44                                       
CONECT   22   16   15   45                                            
CONECT   23   17   16   16                                            
CONECT   24    5    2   46                                            
CONECT   25   15   15                                                 
CONECT   26    6   47                                                 
CONECT   27    6    6                                                 
CONECT   28   16   13                                                 
CONECT   29    1                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
