COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.108  -1.804  -0.643  1.00  0.00           C  
HETATM    2  C   UNL     1       0.004  -1.613   0.584  1.00  0.00           C  
HETATM    3  C   UNL     1       1.446  -1.324   0.257  1.00  0.00           C  
HETATM    4  C   UNL     1       3.447  -0.623   0.294  1.00  0.00           C  
HETATM    5  C   UNL     1       5.285  -0.227   1.932  1.00  0.00           C  
HETATM    6  C   UNL     1       6.460   0.397   2.298  1.00  0.00           C  
HETATM    7  C   UNL     1       7.065   1.296   1.438  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.933  -0.842  -0.371  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.579  -1.819  -0.284  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.909   1.737   1.415  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.633   0.409   0.759  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.402  -1.196  -0.169  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.782  -3.075   0.170  1.00  0.00           C  
HETATM   14  C   UNL     1       4.707   0.050   0.695  1.00  0.00           C  
HETATM   15  C   UNL     1       6.496   1.575   0.208  1.00  0.00           C  
HETATM   16  C   UNL     1       5.318   0.960  -0.165  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.174   2.745   0.385  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.467  -0.006   0.393  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.306  -3.045   0.338  1.00  0.00           N  
HETATM   20  N   UNL     1       2.277  -0.606   0.971  1.00  0.00           N  
HETATM   21  N   UNL     1       4.711   1.259  -1.482  1.00  0.00           N  
HETATM   22  N   UNL     1       3.261  -1.347  -0.780  1.00  0.00           N  
HETATM   23  O   UNL     1      -2.185  -2.110  -2.037  1.00  0.00           O  
HETATM   24  O   UNL     1       5.305   1.959  -2.282  1.00  0.00           O  
HETATM   25  O   UNL     1       3.616   0.806  -1.764  1.00  0.00           O  
HETATM   26  O   UNL     1       2.119  -1.756  -0.814  1.00  0.00           O  
HETATM   27  S   UNL     1      -5.821  -0.762   0.383  1.00  0.00           S  
HETATM   28  H   UNL     1      -0.210  -1.350   1.620  1.00  0.00           H  
HETATM   29  H   UNL     1       4.815  -0.932   2.602  1.00  0.00           H  
HETATM   30  H   UNL     1       6.908   0.184   3.257  1.00  0.00           H  
HETATM   31  H   UNL     1       7.984   1.783   1.728  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.414  -0.605  -1.300  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.293   0.070   0.106  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.740  -2.797  -0.714  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.778   1.647   2.067  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.043   2.039   2.004  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.276  -3.041   1.141  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.086  -3.966  -0.379  1.00  0.00           H  
HETATM   39  H   UNL     1       6.972   2.278  -0.459  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.019  -3.616   1.118  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.893  -2.729  -2.265  1.00  0.00           H  
HETATM   42  C   UNL     1      -6.543   2.970  -0.085  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.152   3.469  -0.132  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.267   4.097  -0.581  1.00  0.00           C  
HETATM   45  H   UNL     1      -7.017   3.737   0.528  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.521   3.298  -1.124  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.110   2.042  -0.009  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.475   4.658  -0.982  1.00  0.00           H  
CONECT    1   23   13   12    8                                       
CONECT    2   19    3    8   28                                       
CONECT    3   20   20    2   26                                       
CONECT    4   20   14   22   22                                       
CONECT    5   14   14    6   29                                       
CONECT    6    5    7    7   30                                       
CONECT    7    6    6   15   31                                       
CONECT    8    2    1   32   33                                       
CONECT    9   12   12   27   34                                       
CONECT   10   17   11   35   36                                       
CONECT   11   10   18   18   27                                       
CONECT   12   18    1    9    9                                       
CONECT   13    1   19   37   38                                       
CONECT   14    5    5    4   16                                       
CONECT   15    7   16   16   39                                       
CONECT   16   15   15   21   14                                       
CONECT   17   10   42   43                                            
CONECT   18   11   11   12                                            
CONECT   19   13    2   40                                            
CONECT   20    3    3    4                                            
CONECT   21   16   24   24   25                                       
CONECT   21   25                                                      
CONECT   22    4    4   26                                            
CONECT   23    1   41                                                 
CONECT   24   21   21                                                 
CONECT   25   21   21                                                 
CONECT   26   22    3                                                 
CONECT   27    9   11                                                 
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   19                                                      
CONECT   41   23                                                      
CONECT   42   17   45   46   47                                       
CONECT   43   17   44   44   44                                       
CONECT   44   43   43   43   48                                       
CONECT   45   42                                                      
CONECT   46   42                                                      
CONECT   47   42                                                      
CONECT   48   44                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
