COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.034   3.273   1.343  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.359   2.224   0.458  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.209   1.570   1.228  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.468   0.626   0.317  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.962  -0.605   0.076  1.00  0.00           N  
HETATM    6  O   UNL     1      -4.847   2.852  -0.720  1.00  0.00           O  
HETATM    7  N   UNL     1      -3.290   2.609   1.710  1.00  0.00           N  
HETATM    8  O   UNL     1      -2.427   0.973  -0.199  1.00  0.00           O  
HETATM    9  S   UNL     1      -3.147  -1.643  -0.924  1.00  0.00           S  
HETATM   10  O   UNL     1      -3.895  -2.850  -0.946  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.829  -0.904  -2.096  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.613  -2.022  -0.145  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.523  -3.104   0.712  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.322  -3.408   1.328  1.00  0.00           C  
HETATM   15  C   UNL     1       0.794  -2.632   1.089  1.00  0.00           C  
HETATM   16  C   UNL     1       0.710  -1.540   0.227  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.502  -1.242  -0.395  1.00  0.00           C  
HETATM   18  C   UNL     1       1.906  -0.702  -0.033  1.00  0.00           C  
HETATM   19  C   UNL     1       1.810   0.394  -0.903  1.00  0.00           C  
HETATM   20  C   UNL     1       2.893   1.178  -1.157  1.00  0.00           C  
HETATM   21  C   UNL     1       4.120   0.891  -0.544  1.00  0.00           C  
HETATM   22  C   UNL     1       4.230  -0.213   0.336  1.00  0.00           C  
HETATM   23  C   UNL     1       3.104  -1.006   0.590  1.00  0.00           C  
HETATM   24  N   UNL     1       5.417  -0.466   0.909  1.00  0.00           N  
HETATM   25  C   UNL     1       6.453   0.297   0.656  1.00  0.00           C  
HETATM   26  N   UNL     1       6.398   1.339  -0.159  1.00  0.00           N  
HETATM   27  C   UNL     1       5.274   1.677  -0.777  1.00  0.00           C  
HETATM   28  N   UNL     1       5.232   2.764  -1.623  1.00  0.00           N  
HETATM   29  C   UNL     1       7.766  -0.026   1.322  1.00  0.00           C  
HETATM   30  H   UNL     1      -6.853   3.739   0.794  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.424   2.794   2.241  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.306   4.034   1.624  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.087   1.463   0.176  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.610   1.016   2.077  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.794  -0.883   0.488  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.192   3.541  -0.545  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.905   3.136   0.941  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.747   3.217   2.373  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.394  -3.714   0.902  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.258  -4.253   1.996  1.00  0.00           H  
HETATM   41  H   UNL     1       1.731  -2.869   1.571  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.572  -0.401  -1.068  1.00  0.00           H  
HETATM   43  H   UNL     1       0.866   0.619  -1.377  1.00  0.00           H  
HETATM   44  H   UNL     1       2.807   2.019  -1.829  1.00  0.00           H  
HETATM   45  H   UNL     1       3.172  -1.851   1.259  1.00  0.00           H  
HETATM   46  H   UNL     1       6.030   3.294  -1.773  1.00  0.00           H  
HETATM   47  H   UNL     1       4.403   3.000  -2.069  1.00  0.00           H  
HETATM   48  H   UNL     1       8.335  -0.710   0.692  1.00  0.00           H  
HETATM   49  H   UNL     1       8.335   0.892   1.469  1.00  0.00           H  
HETATM   50  H   UNL     1       7.577  -0.495   2.288  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3    6   33                                       
CONECT    3    2    7    4   34                                       
CONECT    4    3    8    8    5                                       
CONECT    5    4    9   35                                            
CONECT    6    2   36                                                 
CONECT    7    3   37   38                                            
CONECT    8    4    4                                                 
CONECT    9    5   11   11   10                                       
CONECT    9   10   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   17   17   13                                       
CONECT   13   12   14   14   39                                       
CONECT   14   13   13   15   40                                       
CONECT   15   14   16   16   41                                       
CONECT   16   15   15   17   18                                       
CONECT   17   12   12   16   42                                       
CONECT   18   16   23   23   19                                       
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   21   44                                       
CONECT   21   20   22   27   27                                       
CONECT   22   21   24   24   23                                       
CONECT   23   18   18   22   45                                       
CONECT   24   22   22   25                                            
CONECT   25   24   29   26   26                                       
CONECT   26   25   25   27                                            
CONECT   27   21   21   26   28                                       
CONECT   28   27   46   47                                            
CONECT   29   25   48   49   50                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
