COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.333   1.830  -0.083  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.071  -0.536   0.059  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.386   0.599   0.124  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.020   1.761   0.049  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.234   3.017   0.113  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.415  -1.755   0.137  1.00  0.00           N  
HETATM    7  C   UNL     1       0.152   2.969   0.252  1.00  0.00           C  
HETATM    8  C   UNL     1       0.878   4.141   0.312  1.00  0.00           C  
HETATM    9  C   UNL     1       0.233   5.363   0.234  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.143   5.416   0.097  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.878   4.251   0.030  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.089   0.730  -0.146  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.462  -0.489  -0.089  1.00  0.00           C  
HETATM   14  S   UNL     1      -4.352  -2.006  -0.214  1.00  0.00           S  
HETATM   15  C   UNL     1      -6.087  -1.501  -0.013  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.297  -0.252  -0.882  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.571   0.924  -0.251  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.107  -2.451  -1.541  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.918  -2.764   0.907  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.044  -1.796   0.407  1.00  0.00           C  
HETATM   21  C   UNL     1       0.519  -0.883   1.290  1.00  0.00           C  
HETATM   22  C   UNL     1       2.112  -2.789   0.066  1.00  0.00           C  
HETATM   23  C   UNL     1       0.757  -2.752  -0.203  1.00  0.00           C  
HETATM   24  C   UNL     1       2.668  -1.883   0.949  1.00  0.00           C  
HETATM   25  C   UNL     1       1.873  -0.929   1.558  1.00  0.00           C  
HETATM   26  C   UNL     1       4.146  -1.927   1.240  1.00  0.00           C  
HETATM   27  C   UNL     1       4.877  -1.042   0.264  1.00  0.00           C  
HETATM   28  N   UNL     1       6.218  -0.924   0.334  1.00  0.00           N  
HETATM   29  O   UNL     1       4.259  -0.435  -0.585  1.00  0.00           O  
HETATM   30  C   UNL     1       6.928  -0.064  -0.616  1.00  0.00           C  
HETATM   31  C   UNL     1       6.424   1.373  -0.478  1.00  0.00           C  
HETATM   32  C   UNL     1       8.429  -0.109  -0.320  1.00  0.00           C  
HETATM   33  C   UNL     1       6.675  -0.559  -2.041  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.908  -2.580   0.005  1.00  0.00           H  
HETATM   35  H   UNL     1       0.657   2.017   0.313  1.00  0.00           H  
HETATM   36  H   UNL     1       1.952   4.105   0.420  1.00  0.00           H  
HETATM   37  H   UNL     1       0.805   6.277   0.282  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.641   6.372   0.037  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.952   4.294  -0.077  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.748  -2.301  -0.347  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.287  -1.266   1.032  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.900  -0.432  -1.881  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.362  -0.030  -0.948  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.973   1.086   0.749  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.764   1.815  -0.850  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.101  -0.138   1.765  1.00  0.00           H  
HETATM   47  H   UNL     1       2.735  -3.533  -0.408  1.00  0.00           H  
HETATM   48  H   UNL     1       0.322  -3.466  -0.887  1.00  0.00           H  
HETATM   49  H   UNL     1       2.311  -0.222   2.247  1.00  0.00           H  
HETATM   50  H   UNL     1       4.327  -1.574   2.256  1.00  0.00           H  
HETATM   51  H   UNL     1       4.505  -2.951   1.142  1.00  0.00           H  
HETATM   52  H   UNL     1       6.712  -1.410   1.013  1.00  0.00           H  
HETATM   53  H   UNL     1       6.605   1.726   0.538  1.00  0.00           H  
HETATM   54  H   UNL     1       6.953   2.013  -1.184  1.00  0.00           H  
HETATM   55  H   UNL     1       5.355   1.405  -0.688  1.00  0.00           H  
HETATM   56  H   UNL     1       8.788  -1.133  -0.418  1.00  0.00           H  
HETATM   57  H   UNL     1       8.958   0.531  -1.026  1.00  0.00           H  
HETATM   58  H   UNL     1       8.610   0.243   0.695  1.00  0.00           H  
HETATM   59  H   UNL     1       5.606  -0.527  -2.252  1.00  0.00           H  
HETATM   60  H   UNL     1       7.203   0.081  -2.747  1.00  0.00           H  
HETATM   61  H   UNL     1       7.034  -1.584  -2.139  1.00  0.00           H  
CONECT    1    4   12   12                                            
CONECT    2    3    6   13   13                                       
CONECT    3    4    4    2                                            
CONECT    4    5    3    3    1                                       
CONECT    5    7    7   11    4                                       
CONECT    6   20    2   34                                            
CONECT    7    8    5    5   35                                       
CONECT    8    9    9    7   36                                       
CONECT    9    8    8   10   37                                       
CONECT   10    9   11   11   38                                       
CONECT   11   10   10    5   39                                       
CONECT   12    1    1   13   17                                       
CONECT   13    2    2   12   14                                       
CONECT   14   13   19   19   15                                       
CONECT   14   18   18                                                 
CONECT   15   16   14   40   41                                       
CONECT   16   17   15   42   43                                       
CONECT   17   12   16   44   45                                       
CONECT   18   14   14                                                 
CONECT   19   14   14                                                 
CONECT   20   21   21   23    6                                       
CONECT   21   25   20   20   46                                       
CONECT   22   24   23   23   47                                       
CONECT   23   22   22   20   48                                       
CONECT   24   26   25   25   22                                       
CONECT   25   24   24   21   49                                       
CONECT   26   27   24   50   51                                       
CONECT   27   28   29   29   26                                       
CONECT   28   30   27   52                                            
CONECT   29   27   27                                                 
CONECT   30   33   32   31   28                                       
CONECT   31   30   53   54   55                                       
CONECT   32   30   56   57   58                                       
CONECT   33   30   59   60   61                                       
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
