COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.370   0.865   0.163  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.598  -1.666   0.023  1.00  0.00           C  
HETATM    3  C   UNL     1       0.632  -1.565   0.156  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.394  -2.990  -0.112  1.00  0.00           C  
HETATM    5  C   UNL     1       4.199  -1.223   0.497  1.00  0.00           C  
HETATM    6  C   UNL     1       5.381  -1.994   0.352  1.00  0.00           C  
HETATM    7  C   UNL     1       4.289   0.221   0.919  1.00  0.00           C  
HETATM    8  C   UNL     1       4.376   2.472  -0.171  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.006   2.025   0.154  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.271   2.577   0.143  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.380   1.768  -0.027  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.228   0.402  -0.186  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.968  -0.161  -0.178  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.846   0.650  -0.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.490   0.051  -0.002  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.334  -1.326  -0.158  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.075  -1.882  -0.148  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.109   0.310   0.168  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.954  -1.068   0.018  1.00  0.00           C  
HETATM   20  C   UNL     1       4.381   1.097  -0.304  1.00  0.00           C  
HETATM   21  C   UNL     1       4.460   3.276  -1.293  1.00  0.00           C  
HETATM   22  C   UNL     1       4.550   2.703  -2.548  1.00  0.00           C  
HETATM   23  C   UNL     1       4.556   1.327  -2.681  1.00  0.00           C  
HETATM   24  C   UNL     1       4.472   0.524  -1.559  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.502  -0.936   0.167  1.00  0.00           N  
HETATM   26  N   UNL     1       1.878  -0.974   0.293  1.00  0.00           N  
HETATM   27  N   UNL     1       3.035  -1.763   0.265  1.00  0.00           N  
HETATM   28  N   UNL     1       4.273   3.086   1.172  1.00  0.00           N1+
HETATM   29  O   UNL     1       6.458  -1.519   0.657  1.00  0.00           O  
HETATM   30  O   UNL     1       5.310  -3.255  -0.124  1.00  0.00           O  
HETATM   31  O   UNL     1       4.307   2.383   2.166  1.00  0.00           O  
HETATM   32  O   UNL     1       4.155   4.293   1.283  1.00  0.00           O1-
HETATM   33  S   UNL     1       0.342  -3.289  -0.054  1.00  0.00           S  
HETATM   34  H   UNL     1      -4.490   1.932   0.283  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.162  -3.740  -0.235  1.00  0.00           H  
HETATM   36  H   UNL     1       3.401   0.488   1.491  1.00  0.00           H  
HETATM   37  H   UNL     1       5.176   0.365   1.536  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.141   2.658   0.287  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.395   3.642   0.268  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.368   2.204  -0.034  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.098  -0.225  -0.318  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.851  -1.227  -0.307  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.202  -1.956  -0.287  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.954  -2.949  -0.268  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.242   0.941   0.296  1.00  0.00           H  
HETATM   46  H   UNL     1       4.456   4.351  -1.189  1.00  0.00           H  
HETATM   47  H   UNL     1       4.616   3.331  -3.424  1.00  0.00           H  
HETATM   48  H   UNL     1       4.627   0.880  -3.661  1.00  0.00           H  
HETATM   49  H   UNL     1       4.476  -0.551  -1.663  1.00  0.00           H  
HETATM   50  H   UNL     1       1.949  -0.014   0.408  1.00  0.00           H  
HETATM   51  H   UNL     1       6.166  -3.700  -0.187  1.00  0.00           H  
CONECT    1   18   18   15   34                                       
CONECT    2    4    4   19   25                                       
CONECT    3   33   25   25   26                                       
CONECT    4   33    2    2   35                                       
CONECT    5    6   27   27    7                                       
CONECT    6   29   29   30    5                                       
CONECT    7    5   20   36   37                                       
CONECT    8   20   20   28   21                                       
CONECT    9   14   10   10   38                                       
CONECT   10    9    9   11   39                                       
CONECT   11   12   12   10   40                                       
CONECT   12   13   11   11   41                                       
CONECT   13   14   14   12   42                                       
CONECT   14   15   13   13    9                                       
CONECT   15    1   14   16   16                                       
CONECT   16   15   15   17   43                                       
CONECT   17   19   19   16   44                                       
CONECT   18    1    1   19   45                                       
CONECT   19   18    2   17   17                                       
CONECT   20    7    8    8   24                                       
CONECT   21    8   22   22   46                                       
CONECT   22   21   21   23   47                                       
CONECT   23   24   24   22   48                                       
CONECT   24   20   23   23   49                                       
CONECT   25    2    3    3                                            
CONECT   26    3   27   50                                            
CONECT   27    5    5   26                                            
CONECT   28   31   31    8   32                                       
CONECT   29    6    6                                                 
CONECT   30    6   51                                                 
CONECT   31   28   28                                                 
CONECT   32   28                                                      
CONECT   33    4    3                                                 
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
