COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.419  -0.235  -0.252  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.682   0.739   0.314  1.00  0.00           N  
HETATM    3  O   UNL     1       1.673  -1.390  -0.535  1.00  0.00           O  
HETATM    4  S   UNL     1      -3.099  -2.039   0.371  1.00  0.00           S  
HETATM    5  C   UNL     1      -2.156  -0.558   0.271  1.00  0.00           C  
HETATM    6  N   UNL     1       2.400   0.688  -0.241  1.00  0.00           N  
HETATM    7  O   UNL     1      -4.464   4.592   0.223  1.00  0.00           O  
HETATM    8  S   UNL     1      -4.364   3.259  -0.259  1.00  0.00           S  
HETATM    9  C   UNL     1       3.724   0.302  -0.458  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.226   2.830  -1.304  1.00  0.00           O  
HETATM   11  C   UNL     1       4.784   1.047   0.103  1.00  0.00           C  
HETATM   12  C   UNL     1       6.120   0.636  -0.130  1.00  0.00           C  
HETATM   13  C   UNL     1       6.366  -0.504  -0.913  1.00  0.00           C  
HETATM   14  C   UNL     1       5.325  -1.204  -1.441  1.00  0.00           C  
HETATM   15  C   UNL     1       4.008  -0.814  -1.215  1.00  0.00           C  
HETATM   16  N   UNL     1       0.154   0.123   0.045  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.853  -0.863   0.147  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.643  -3.015   0.237  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.576  -2.223   0.129  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.606  -4.522   0.243  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.756  -5.006   1.420  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.029  -5.067   0.384  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.995  -5.023  -1.067  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.096   0.719   0.696  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.534   2.117   1.145  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.642   2.947  -0.754  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.455   1.439  -0.952  1.00  0.00           C  
HETATM   28  C   UNL     1       4.539   2.187   0.884  1.00  0.00           C  
HETATM   29  C   UNL     1       5.586   2.881   1.409  1.00  0.00           C  
HETATM   30  C   UNL     1       6.900   2.478   1.181  1.00  0.00           C  
HETATM   31  C   UNL     1       7.175   1.378   0.429  1.00  0.00           C  
HETATM   32  H   UNL     1       2.187   1.621  -0.083  1.00  0.00           H  
HETATM   33  H   UNL     1       7.381  -0.825  -1.096  1.00  0.00           H  
HETATM   34  H   UNL     1       5.523  -2.079  -2.043  1.00  0.00           H  
HETATM   35  H   UNL     1       3.200  -1.389  -1.642  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.065   1.057   0.188  1.00  0.00           H  
HETATM   37  H   UNL     1       0.428  -2.610   0.034  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.190  -4.649   2.353  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.729  -6.095   1.424  1.00  0.00           H  
HETATM   40  H   UNL     1       0.258  -4.618   1.319  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.634  -4.722  -0.454  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.002  -6.156   0.389  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.463  -4.710   1.318  1.00  0.00           H  
HETATM   44  H   UNL     1       0.018  -4.635  -1.168  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.968  -6.112  -1.062  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.601  -4.678  -1.905  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.698   0.408  -0.158  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.240   0.014   1.515  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.902   2.452   1.967  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.575   2.088   1.468  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.430   3.467  -1.689  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.968   3.300   0.025  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.439   1.243  -1.297  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.164   1.081  -1.697  1.00  0.00           H  
HETATM   55  H   UNL     1       3.526   2.511   1.069  1.00  0.00           H  
HETATM   56  H   UNL     1       5.395   3.758   2.010  1.00  0.00           H  
HETATM   57  H   UNL     1       7.713   3.047   1.609  1.00  0.00           H  
HETATM   58  H   UNL     1       8.198   1.077   0.260  1.00  0.00           H  
CONECT    1    3    3    6   16                                       
CONECT    2    5   24   27                                            
CONECT    3    1    1                                                 
CONECT    4    5   18                                                 
CONECT    5    2    4   17   17                                       
CONECT    6    1    9   32                                            
CONECT    7    8    8                                                 
CONECT    8    7    7   10   10                                       
CONECT    8   25   26                                                 
CONECT    9    6   11   11   15                                       
CONECT   10    8    8                                                 
CONECT   11    9    9   12   28                                       
CONECT   12   11   13   13   31                                       
CONECT   13   12   12   14   33                                       
CONECT   14   13   15   15   34                                       
CONECT   15    9   14   14   35                                       
CONECT   16    1   17   36                                            
CONECT   17    5    5   16   19                                       
CONECT   18    4   19   19   20                                       
CONECT   19   17   18   18   37                                       
CONECT   20   18   21   22   23                                       
CONECT   21   20   38   39   40                                       
CONECT   22   20   41   42   43                                       
CONECT   23   20   44   45   46                                       
CONECT   24    2   25   47   48                                       
CONECT   25    8   24   49   50                                       
CONECT   26    8   27   51   52                                       
CONECT   27    2   26   53   54                                       
CONECT   28   11   29   29   55                                       
CONECT   29   28   28   30   56                                       
CONECT   30   29   31   31   57                                       
CONECT   31   12   30   30   58                                       
CONECT   32    6                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
