COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.402   1.170   0.326  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.611   1.490  -0.826  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.599   1.505  -1.715  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.312   1.154  -1.312  1.00  0.00           C  
HETATM    5  N   UNL     1       0.026   0.792  -0.116  1.00  0.00           N  
HETATM    6  N   UNL     1       1.358   0.487   0.061  1.00  0.00           N  
HETATM    7  C   UNL     1       2.103   0.602  -0.994  1.00  0.00           C  
HETATM    8  N   UNL     1       3.468   0.349  -1.048  1.00  0.00           N  
HETATM    9  C   UNL     1       4.180  -0.088   0.156  1.00  0.00           C  
HETATM   10  C   UNL     1       4.638   1.129   0.992  1.00  0.00           C  
HETATM   11  C   UNL     1       6.043   0.760   1.503  1.00  0.00           C  
HETATM   12  N   UNL     1       6.341  -0.601   1.007  1.00  0.00           N  
HETATM   13  C   UNL     1       7.694  -0.742   0.719  1.00  0.00           C  
HETATM   14  C   UNL     1       8.646  -0.563   1.724  1.00  0.00           C  
HETATM   15  C   UNL     1       9.981  -0.715   1.386  1.00  0.00           C  
HETATM   16  C   UNL     1      10.290  -1.035   0.071  1.00  0.00           C  
HETATM   17  N   UNL     1       9.325  -1.185  -0.815  1.00  0.00           N  
HETATM   18  N   UNL     1       8.086  -1.051  -0.508  1.00  0.00           N  
HETATM   19  C   UNL     1       5.517  -0.776  -0.216  1.00  0.00           C  
HETATM   20  S   UNL     1       1.109   1.124  -2.350  1.00  0.00           S  
HETATM   21  C   UNL     1      -4.004   1.864  -1.263  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.944   1.760  -0.090  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.590   0.567   0.174  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.455   0.472   1.254  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.091  -0.699   1.515  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.842  -1.757   0.699  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.806  -2.632   0.992  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.555  -3.706   0.160  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.334  -3.909  -0.964  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.367  -3.037  -1.259  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.627  -1.966  -0.427  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.669   1.576   2.068  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.021   2.766   1.800  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.155   2.856   0.726  1.00  0.00           C  
HETATM   35  H   UNL     1      -1.765   1.761  -2.636  1.00  0.00           H  
HETATM   36  H   UNL     1       3.950   0.460  -1.882  1.00  0.00           H  
HETATM   37  H   UNL     1       3.554  -0.752   0.753  1.00  0.00           H  
HETATM   38  H   UNL     1       4.685   2.021   0.367  1.00  0.00           H  
HETATM   39  H   UNL     1       3.961   1.289   1.830  1.00  0.00           H  
HETATM   40  H   UNL     1       6.777   1.466   1.114  1.00  0.00           H  
HETATM   41  H   UNL     1       6.057   0.772   2.592  1.00  0.00           H  
HETATM   42  H   UNL     1       8.351  -0.314   2.732  1.00  0.00           H  
HETATM   43  H   UNL     1      10.759  -0.587   2.124  1.00  0.00           H  
HETATM   44  H   UNL     1      11.320  -1.160  -0.227  1.00  0.00           H  
HETATM   45  H   UNL     1       5.359  -1.834  -0.426  1.00  0.00           H  
HETATM   46  H   UNL     1       5.981  -0.278  -1.068  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.004   2.887  -1.639  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.331   1.187  -2.052  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.422  -0.290  -0.461  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.197  -2.474   1.869  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.749  -4.388   0.388  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.136  -4.749  -1.613  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.974  -3.198  -2.137  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.436  -1.289  -0.654  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.343   1.505   2.909  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.187   3.625   2.433  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.645   3.786   0.521  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   21    3    1    1                                       
CONECT    3    2    4   35                                            
CONECT    4    5    5    3   20                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    7                                            
CONECT    7    6    6   20    8                                       
CONECT    8    7    9   36                                            
CONECT    9   19    8   10   37                                       
CONECT   10    9   11   38   39                                       
CONECT   11   10   12   40   41                                       
CONECT   12   19   13   11                                            
CONECT   13   14   12   18   18                                       
CONECT   14   15   15   13   42                                       
CONECT   15   14   14   16   43                                       
CONECT   16   15   17   17   44                                       
CONECT   17   16   16   18                                            
CONECT   18   13   13   17                                            
CONECT   19    9   12   45   46                                       
CONECT   20    4    7                                                 
CONECT   21   22    2   47   48                                       
CONECT   22   21   34   34   23                                       
CONECT   23   22   24   24   49                                       
CONECT   24   23   23   32   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   50                                       
CONECT   28   27   29   29   51                                       
CONECT   29   28   28   30   52                                       
CONECT   30   31   31   29   53                                       
CONECT   31   26   30   30   54                                       
CONECT   32   33   33   24   55                                       
CONECT   33   34   32   32   56                                       
CONECT   34   22   22   33   57                                       
CONECT   35    3                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
