COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.471  -0.374   0.485  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.433  -3.859   1.254  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.019  -3.897  -1.112  1.00  0.00           C  
HETATM    4  C   UNL     1       1.491  -1.335   0.326  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.171   1.588   2.246  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.315   2.087   2.758  1.00  0.00           C  
HETATM    7  C   UNL     1       2.145   0.976   0.417  1.00  0.00           C  
HETATM    8  C   UNL     1       0.178  -0.958   0.099  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.109   0.696  -1.453  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.944   0.929  -3.038  1.00  0.00           C  
HETATM   11  C   UNL     1       4.179   1.896  -1.961  1.00  0.00           C  
HETATM   12  C   UNL     1       0.336  -5.867   0.201  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.058  -5.186   1.338  1.00  0.00           C  
HETATM   14  C   UNL     1       0.356  -5.223  -1.022  1.00  0.00           C  
HETATM   15  C   UNL     1       0.834   1.364   0.190  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.387   1.337   0.877  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.157   0.398   0.029  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.415  -3.210   0.028  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.707   1.708   0.598  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.561   0.806  -0.215  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.191   1.560  -0.715  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.254   2.167   1.775  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.400   1.069  -1.685  1.00  0.00           N  
HETATM   24  N   UNL     1       3.142   1.944   0.580  1.00  0.00           N  
HETATM   25  O   UNL     1      -5.340   1.878  -0.975  1.00  0.00           O  
HETATM   26  O   UNL     1       5.016   0.459   0.125  1.00  0.00           O  
HETATM   27  O   UNL     1       5.347   2.909   0.214  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.785  -1.906  -0.058  1.00  0.00           O  
HETATM   29  S   UNL     1       4.594   1.776  -0.199  1.00  0.00           S  
HETATM   30  H   UNL     1       3.493  -0.672   0.667  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.745  -3.329   2.142  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.004  -3.394  -2.067  1.00  0.00           H  
HETATM   33  H   UNL     1       1.750  -2.382   0.380  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.253   1.415   2.788  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.463   2.378   3.787  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.514   0.307  -2.266  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.394  -0.057  -3.149  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.701   1.695  -3.206  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.141   1.046  -3.766  1.00  0.00           H  
HETATM   40  H   UNL     1       0.630  -6.904   0.269  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.071  -5.691   2.293  1.00  0.00           H  
HETATM   42  H   UNL     1       0.664  -5.758  -1.908  1.00  0.00           H  
HETATM   43  H   UNL     1       0.581   2.412   0.138  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.161   2.493   1.885  1.00  0.00           H  
HETATM   45  H   UNL     1       3.720   2.865  -2.161  1.00  0.00           H  
HETATM   46  H   UNL     1       5.087   1.796  -2.556  1.00  0.00           H  
HETATM   47  H   UNL     1       3.482   1.102  -2.225  1.00  0.00           H  
HETATM   48  H   UNL     1       2.983   2.714   1.148  1.00  0.00           H  
CONECT    1    4    4    7   30                                       
CONECT    2   13   13   18   31                                       
CONECT    3   14   18   18   32                                       
CONECT    4    1    1    8   33                                       
CONECT    5    6    6   16   34                                       
CONECT    6    5    5   22   35                                       
CONECT    7    1   15   15   24                                       
CONECT    8    4   17   17   28                                       
CONECT    9   20   20   23   36                                       
CONECT   10   23   37   38   39                                       
CONECT   11   29   45   46   47                                       
CONECT   12   13   14   14   40                                       
CONECT   13    2    2   12   41                                       
CONECT   14    3   12   12   42                                       
CONECT   15    7    7   17   43                                       
CONECT   16    5   19   19   20                                       
CONECT   17    8    8   15   20                                       
CONECT   18    2    3    3   28                                       
CONECT   19   16   16   21   22                                       
CONECT   20    9    9   16   17                                       
CONECT   21   19   23   25   25                                       
CONECT   22    6   19   44                                            
CONECT   23    9   10   21                                            
CONECT   24    7   29   48                                            
CONECT   25   21   21                                                 
CONECT   26   29   29                                                 
CONECT   27   29   29                                                 
CONECT   28    8   18                                                 
CONECT   29   11   24   26   26                                       
CONECT   29   27   27                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   22                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
