COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.375  -1.958   0.949  1.00  0.00           C  
HETATM    2  C   UNL     1       1.263   2.725   0.673  1.00  0.00           C  
HETATM    3  C   UNL     1       2.473   4.474  -0.426  1.00  0.00           C  
HETATM    4  C   UNL     1       3.557   2.398   0.069  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.865   0.341  -1.225  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.175   0.689  -0.955  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.897  -0.017  -0.004  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.990  -1.411   0.406  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.868  -0.447   1.255  1.00  0.00           C  
HETATM   10  N   UNL     1       1.012  -1.676  -1.258  1.00  0.00           N  
HETATM   11  N   UNL     1       2.270  -1.897  -1.399  1.00  0.00           N  
HETATM   12  C   UNL     1       2.950  -1.166  -0.561  1.00  0.00           C  
HETATM   13  N   UNL     1       2.050  -0.431   0.160  1.00  0.00           N  
HETATM   14  C   UNL     1       0.819  -0.784  -0.314  1.00  0.00           C  
HETATM   15  S   UNL     1      -0.734  -0.161   0.236  1.00  0.00           S  
HETATM   16  C   UNL     1       4.449  -1.136  -0.414  1.00  0.00           C  
HETATM   17  C   UNL     1       4.871  -2.092   0.705  1.00  0.00           C  
HETATM   18  C   UNL     1       4.546  -3.530   0.296  1.00  0.00           C  
HETATM   19  C   UNL     1       2.345   0.535   1.221  1.00  0.00           C  
HETATM   20  C   UNL     1       2.390   1.924   0.638  1.00  0.00           C  
HETATM   21  C   UNL     1       1.304   3.999   0.138  1.00  0.00           C  
HETATM   22  C   UNL     1       3.601   3.676  -0.455  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.848  -1.090  -0.847  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.274  -0.709  -0.547  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.302  -1.070   0.675  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.186   0.323   0.263  1.00  0.00           O  
HETATM   27  H   UNL     1       6.606  -0.933   1.240  1.00  0.00           H  
HETATM   28  H   UNL     1       6.675  -2.638   1.746  1.00  0.00           H  
HETATM   29  H   UNL     1       6.915  -2.207   0.036  1.00  0.00           H  
HETATM   30  H   UNL     1       0.350   2.353   1.114  1.00  0.00           H  
HETATM   31  H   UNL     1       2.505   5.470  -0.844  1.00  0.00           H  
HETATM   32  H   UNL     1       4.438   1.774   0.047  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.304   0.887  -1.968  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.636   1.509  -1.485  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.526  -2.231   0.933  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.885  -0.072   1.370  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.899  -1.492   0.945  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.340  -0.365   2.205  1.00  0.00           H  
HETATM   39  H   UNL     1       4.912  -1.446  -1.350  1.00  0.00           H  
HETATM   40  H   UNL     1       4.770  -0.124  -0.168  1.00  0.00           H  
HETATM   41  H   UNL     1       4.330  -1.842   1.618  1.00  0.00           H  
HETATM   42  H   UNL     1       5.014  -3.749  -0.664  1.00  0.00           H  
HETATM   43  H   UNL     1       4.927  -4.217   1.051  1.00  0.00           H  
HETATM   44  H   UNL     1       3.466  -3.648   0.209  1.00  0.00           H  
HETATM   45  H   UNL     1       1.568   0.486   1.984  1.00  0.00           H  
HETATM   46  H   UNL     1       3.310   0.298   1.670  1.00  0.00           H  
HETATM   47  H   UNL     1       0.423   4.623   0.161  1.00  0.00           H  
HETATM   48  H   UNL     1       4.517   4.051  -0.888  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.620  -0.857  -1.887  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.713  -2.158  -0.676  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.862  -1.621   1.416  1.00  0.00           H  
CONECT    1   17   27   28   29                                       
CONECT    2   20   20   21   30                                       
CONECT    3   21   21   22   31                                       
CONECT    4   20   22   22   32                                       
CONECT    5    6   24   24   33                                       
CONECT    6    7    7    5   34                                       
CONECT    7   26    6    6   25                                       
CONECT    8   25   25   24   35                                       
CONECT    9   26   36   37   38                                       
CONECT   10   11   14   14                                            
CONECT   11   10   12   12                                            
CONECT   12   11   11   16   13                                       
CONECT   13   12   14   19                                            
CONECT   14   10   10   15   13                                       
CONECT   15   23   14                                                 
CONECT   16   17   12   39   40                                       
CONECT   17   18   16    1   41                                       
CONECT   18   17   42   43   44                                       
CONECT   19   13   20   45   46                                       
CONECT   20   19    2    2    4                                       
CONECT   21    2    3    3   47                                       
CONECT   22    4    4    3   48                                       
CONECT   23   24   15   49   50                                       
CONECT   24    5    5    8   23                                       
CONECT   25    7    8    8   51                                       
CONECT   26    9    7                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
