COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.720   1.592  -0.543  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.296  -0.838  -0.817  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.524   0.787  -0.503  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.245  -0.050   0.347  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.543   0.270   0.689  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.418   2.254  -0.653  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.309  -0.619   1.591  1.00  0.00           N1+
HETATM    8  O   UNL     1      -7.455  -0.337   1.894  1.00  0.00           O1-
HETATM    9  C   UNL     1       5.094   3.716   0.412  1.00  0.00           C  
HETATM   10  O   UNL     1       5.086   2.508   1.176  1.00  0.00           O  
HETATM   11  C   UNL     1       4.385   1.460   0.665  1.00  0.00           C  
HETATM   12  C   UNL     1       4.334   0.253   1.356  1.00  0.00           C  
HETATM   13  O   UNL     1       4.985   0.119   2.543  1.00  0.00           O  
HETATM   14  C   UNL     1       4.889  -1.149   3.195  1.00  0.00           C  
HETATM   15  C   UNL     1       3.619  -0.812   0.832  1.00  0.00           C  
HETATM   16  C   UNL     1       2.957  -0.673  -0.374  1.00  0.00           C  
HETATM   17  C   UNL     1       3.008   0.526  -1.060  1.00  0.00           C  
HETATM   18  S   UNL     1       2.048  -2.028  -1.038  1.00  0.00           S  
HETATM   19  O   UNL     1       1.967  -1.809  -2.440  1.00  0.00           O  
HETATM   20  O   UNL     1       2.604  -3.204  -0.466  1.00  0.00           O  
HETATM   21  N   UNL     1       0.501  -1.913  -0.457  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.516  -0.646  -0.424  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.129   0.449  -0.874  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.393   1.223  -1.690  1.00  0.00           C  
HETATM   25  S   UNL     1       0.195   0.482  -1.873  1.00  0.00           S  
HETATM   26  C   UNL     1      -6.129   1.419   0.190  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.121   1.941  -1.007  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.794  -1.631   2.031  1.00  0.00           O  
HETATM   29  H   UNL     1       3.754   2.529  -1.079  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.788  -0.948   0.737  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.881   3.151  -1.039  1.00  0.00           H  
HETATM   32  H   UNL     1       4.073   4.077   0.293  1.00  0.00           H  
HETATM   33  H   UNL     1       5.688   4.469   0.931  1.00  0.00           H  
HETATM   34  H   UNL     1       5.529   3.523  -0.569  1.00  0.00           H  
HETATM   35  H   UNL     1       5.299  -1.924   2.547  1.00  0.00           H  
HETATM   36  H   UNL     1       5.452  -1.121   4.128  1.00  0.00           H  
HETATM   37  H   UNL     1       3.843  -1.369   3.408  1.00  0.00           H  
HETATM   38  H   UNL     1       3.578  -1.750   1.366  1.00  0.00           H  
HETATM   39  H   UNL     1       2.486   0.632  -1.999  1.00  0.00           H  
HETATM   40  H   UNL     1       0.153  -2.597   0.136  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.719   2.145  -2.150  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.143   1.668   0.464  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.567   2.594  -1.665  1.00  0.00           H  
CONECT    1   11   17   17   29                                       
CONECT    2   22   22   25   21                                       
CONECT    3   27   27    4   23                                       
CONECT    4    5    5    3   30                                       
CONECT    5   26    7    4    4                                       
CONECT    6   26   26   27   31                                       
CONECT    7    8    5   28   28                                       
CONECT    8    7                                                      
CONECT    9   10   32   33   34                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12    1                                       
CONECT   12   13   11   11   15                                       
CONECT   13   14   12                                                 
CONECT   14   13   35   36   37                                       
CONECT   15   12   16   16   38                                       
CONECT   16   15   15   17   18                                       
CONECT   17    1    1   16   39                                       
CONECT   18   16   21   20   20                                       
CONECT   18   19   19                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21    2   18   40                                            
CONECT   22   23    2    2                                            
CONECT   23    3   24   24   22                                       
CONECT   24   23   23   25   41                                       
CONECT   25   24    2                                                 
CONECT   26    6    6    5   42                                       
CONECT   27    6    3    3   43                                       
CONECT   28    7    7                                                 
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   21                                                      
CONECT   41   24                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
