COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.975   2.995  -0.445  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.992   2.003  -1.407  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.501   0.745  -1.113  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.991   0.479   0.145  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.973   1.471   1.107  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.460   2.731   0.811  1.00  0.00           C  
HETATM    7  S   UNL     1      -4.365  -1.124   0.521  1.00  0.00           S  
HETATM    8  O   UNL     1      -4.442  -1.264   1.933  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.992  -2.022  -0.384  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.651  -1.124   0.113  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.716  -0.760   1.064  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.371  -0.758   0.748  1.00  0.00           C  
HETATM   13  C   UNL     1       0.041  -1.123  -0.527  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.901  -1.488  -1.480  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.243  -1.492  -1.156  1.00  0.00           C  
HETATM   16  N   UNL     1       1.402  -1.122  -0.851  1.00  0.00           N  
HETATM   17  C   UNL     1       2.220  -0.192  -0.320  1.00  0.00           C  
HETATM   18  O   UNL     1       1.795   0.591   0.503  1.00  0.00           O  
HETATM   19  C   UNL     1       3.664  -0.126  -0.748  1.00  0.00           C  
HETATM   20  C   UNL     1       4.102   1.089  -1.568  1.00  0.00           C  
HETATM   21  C   UNL     1       4.542   0.952  -0.108  1.00  0.00           C  
HETATM   22  C   UNL     1       5.985   0.608   0.154  1.00  0.00           C  
HETATM   23  C   UNL     1       6.491   0.643   1.444  1.00  0.00           C  
HETATM   24  C   UNL     1       7.826   0.318   1.638  1.00  0.00           C  
HETATM   25  C   UNL     1       8.601  -0.027   0.548  1.00  0.00           C  
HETATM   26  N   UNL     1       8.085  -0.049  -0.666  1.00  0.00           N  
HETATM   27  C   UNL     1       6.820   0.248  -0.887  1.00  0.00           C  
HETATM   28  H   UNL     1      -6.359   3.978  -0.675  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.391   2.211  -2.390  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.515  -0.030  -1.865  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.576   1.264   2.090  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.446   3.506   1.563  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.037  -0.476   2.056  1.00  0.00           H  
HETATM   34  H   UNL     1       0.359  -0.473   1.491  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.584  -1.773  -2.473  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.976  -1.780  -1.895  1.00  0.00           H  
HETATM   37  H   UNL     1       1.757  -1.791  -1.458  1.00  0.00           H  
HETATM   38  H   UNL     1       4.130  -1.084  -0.979  1.00  0.00           H  
HETATM   39  H   UNL     1       4.858   0.931  -2.338  1.00  0.00           H  
HETATM   40  H   UNL     1       3.347   1.841  -1.797  1.00  0.00           H  
HETATM   41  H   UNL     1       4.075   1.613   0.622  1.00  0.00           H  
HETATM   42  H   UNL     1       5.862   0.916   2.278  1.00  0.00           H  
HETATM   43  H   UNL     1       8.254   0.335   2.630  1.00  0.00           H  
HETATM   44  H   UNL     1       9.641  -0.281   0.691  1.00  0.00           H  
HETATM   45  H   UNL     1       6.432   0.215  -1.895  1.00  0.00           H  
CONECT    1    6    6    2   28                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    4   30                                       
CONECT    4    5    5    3    7                                       
CONECT    5    6    4    4   31                                       
CONECT    6    1    1    5   32                                       
CONECT    7    4    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   15   15   11                                       
CONECT   11   10   12   12   33                                       
CONECT   12   11   11   13   34                                       
CONECT   13   14   14   12   16                                       
CONECT   14   15   13   13   35                                       
CONECT   15   10   10   14   36                                       
CONECT   16   13   17   37                                            
CONECT   17   18   18   16   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   21   38                                       
CONECT   20   19   21   39   40                                       
CONECT   21   19   20   22   41                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   42                                       
CONECT   24   23   25   25   43                                       
CONECT   25   24   24   26   44                                       
CONECT   26   27   27   25                                            
CONECT   27   22   26   26   45                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
