COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.590  -0.022   0.040  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.913  -0.315   1.209  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.586   0.049   1.349  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.937   0.706   0.320  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.614   0.998  -0.849  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.938   0.629  -0.992  1.00  0.00           C  
HETATM    7  S   UNL     1      -9.280  -0.484  -0.139  1.00  0.00           S  
HETATM    8  O   UNL     1      -9.527  -0.573  -1.536  1.00  0.00           O  
HETATM    9  O   UNL     1      -9.498  -1.564   0.759  1.00  0.00           O  
HETATM   10  N   UNL     1     -10.196   0.778   0.418  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.491   1.103   0.474  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.595  -0.032  -0.027  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.190   0.354   0.122  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.214  -0.495  -0.257  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.500  -1.581  -0.722  1.00  0.00           O  
HETATM   16  C   UNL     1       1.202  -0.105  -0.106  1.00  0.00           C  
HETATM   17  C   UNL     1       1.533   1.140   0.433  1.00  0.00           C  
HETATM   18  C   UNL     1       2.855   1.497   0.577  1.00  0.00           C  
HETATM   19  C   UNL     1       3.860   0.620   0.186  1.00  0.00           C  
HETATM   20  C   UNL     1       3.535  -0.620  -0.351  1.00  0.00           C  
HETATM   21  C   UNL     1       2.215  -0.984  -0.498  1.00  0.00           C  
HETATM   22  O   UNL     1       5.162   0.976   0.329  1.00  0.00           O  
HETATM   23  C   UNL     1       6.144   0.027  -0.093  1.00  0.00           C  
HETATM   24  C   UNL     1       7.542   0.601   0.144  1.00  0.00           C  
HETATM   25  O   UNL     1       7.736   1.743  -0.692  1.00  0.00           O  
HETATM   26  C   UNL     1       8.592  -0.461  -0.191  1.00  0.00           C  
HETATM   27  N   UNL     1       9.928   0.047   0.150  1.00  0.00           N  
HETATM   28  C   UNL     1      10.964  -0.947  -0.159  1.00  0.00           C  
HETATM   29  C   UNL     1      12.298  -0.237  -0.397  1.00  0.00           C  
HETATM   30  C   UNL     1      11.105  -1.917   1.016  1.00  0.00           C  
HETATM   31  H   UNL     1      -7.420  -0.827   2.013  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.057  -0.179   2.263  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.107   1.511  -1.653  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.467   0.858  -1.905  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.764   1.578   0.757  1.00  0.00           H  
HETATM   36  H   UNL     1     -11.164   0.719   0.404  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.298   2.003  -0.110  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.278   1.298   1.525  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.788  -0.932   0.556  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.809  -0.227  -1.078  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.962   1.221   0.493  1.00  0.00           H  
HETATM   42  H   UNL     1       0.753   1.822   0.737  1.00  0.00           H  
HETATM   43  H   UNL     1       3.112   2.460   0.994  1.00  0.00           H  
HETATM   44  H   UNL     1       4.319  -1.298  -0.654  1.00  0.00           H  
HETATM   45  H   UNL     1       1.964  -1.950  -0.912  1.00  0.00           H  
HETATM   46  H   UNL     1       6.027  -0.894   0.478  1.00  0.00           H  
HETATM   47  H   UNL     1       6.012  -0.184  -1.154  1.00  0.00           H  
HETATM   48  H   UNL     1       7.642   0.894   1.189  1.00  0.00           H  
HETATM   49  H   UNL     1       7.661   1.556  -1.638  1.00  0.00           H  
HETATM   50  H   UNL     1       8.390  -1.365   0.384  1.00  0.00           H  
HETATM   51  H   UNL     1       8.551  -0.690  -1.255  1.00  0.00           H  
HETATM   52  H   UNL     1      10.113   0.920  -0.321  1.00  0.00           H  
HETATM   53  H   UNL     1      10.681  -1.500  -1.054  1.00  0.00           H  
HETATM   54  H   UNL     1      12.580   0.316   0.498  1.00  0.00           H  
HETATM   55  H   UNL     1      13.066  -0.975  -0.626  1.00  0.00           H  
HETATM   56  H   UNL     1      12.197   0.454  -1.234  1.00  0.00           H  
HETATM   57  H   UNL     1      10.155  -2.423   1.186  1.00  0.00           H  
HETATM   58  H   UNL     1      11.874  -2.655   0.787  1.00  0.00           H  
HETATM   59  H   UNL     1      11.388  -1.364   1.912  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    3    1    1   31                                       
CONECT    3    4    4    2   32                                       
CONECT    4   11    3    3    5                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    1   34                                       
CONECT    7    1   10    9    9                                       
CONECT    7    8    8                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   35   36                                            
CONECT   11   12    4   37   38                                       
CONECT   12   13   11   39   40                                       
CONECT   13   14   12   41                                            
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   17   21   14                                       
CONECT   17   18   16   16   42                                       
CONECT   18   19   19   17   43                                       
CONECT   19   22   18   18   20                                       
CONECT   20   19   21   21   44                                       
CONECT   21   20   20   16   45                                       
CONECT   22   23   19                                                 
CONECT   23   24   22   46   47                                       
CONECT   24   25   26   23   48                                       
CONECT   25   24   49                                                 
CONECT   26   24   27   50   51                                       
CONECT   27   26   28   52                                            
CONECT   28   30   27   29   53                                       
CONECT   29   28   54   55   56                                       
CONECT   30   28   57   58   59                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
