COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.678   1.321   0.323  1.00  0.00           N  
HETATM    2  C   UNL     1       4.698  -1.734   0.692  1.00  0.00           C  
HETATM    3  C   UNL     1       5.041   0.928  -0.014  1.00  0.00           C  
HETATM    4  C   UNL     1       6.130   0.063  -0.004  1.00  0.00           C  
HETATM    5  C   UNL     1       5.953  -1.268   0.350  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.904  -2.120  -1.443  1.00  0.00           C  
HETATM    7  C   UNL     1       4.512  -3.178   1.081  1.00  0.00           C  
HETATM    8  C   UNL     1       5.376  -3.491   2.305  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.108  -1.917  -2.090  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.863  -0.567  -0.262  1.00  0.00           C  
HETATM   11  C   UNL     1       7.584  -0.844  -2.717  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.648   3.914   0.681  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.114   4.330   0.638  1.00  0.00           C  
HETATM   14  C   UNL     1       0.264   1.724   0.291  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.679  -1.548  -0.205  1.00  0.00           C  
HETATM   16  C   UNL     1       3.779   0.455   0.331  1.00  0.00           C  
HETATM   17  C   UNL     1       3.612  -0.878   0.684  1.00  0.00           C  
HETATM   18  C   UNL     1       5.512   3.150   0.693  1.00  0.00           C  
HETATM   19  C   UNL     1       3.041  -3.431   1.417  1.00  0.00           C  
HETATM   20  C   UNL     1       4.932  -4.078  -0.083  1.00  0.00           C  
HETATM   21  C   UNL     1       1.433   0.827   0.175  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.088  -1.141  -1.500  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.658  -0.771   0.385  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.926   3.411   0.520  1.00  0.00           C  
HETATM   25  C   UNL     1       0.446   3.080   0.568  1.00  0.00           C  
HETATM   26  O   UNL     1       5.209   2.233  -0.360  1.00  0.00           O  
HETATM   27  O   UNL     1       1.271  -0.356  -0.053  1.00  0.00           O  
HETATM   28  N   UNL     1       7.402   0.533  -0.350  1.00  0.00           N  
HETATM   29  S   UNL     1       8.451  -0.448  -1.174  1.00  0.00           S  
HETATM   30  O   UNL     1       8.566  -1.604  -0.356  1.00  0.00           O  
HETATM   31  O   UNL     1       9.576   0.381  -1.433  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.026   1.215   0.139  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.117   2.062   0.248  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.416   1.558   0.086  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.935   0.462   0.681  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.427   2.097  -0.722  1.00  0.00           N  
HETATM   37  N   UNL     1      -5.475   1.356  -0.610  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.221   0.344   0.238  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.174  -0.714   0.626  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.833  -1.582   1.407  1.00  0.00           O  
HETATM   41  N   UNL     1      -7.421  -0.719   0.115  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.366  -1.770   0.500  1.00  0.00           C  
HETATM   43  H   UNL     1       2.812   2.276   0.427  1.00  0.00           H  
HETATM   44  H   UNL     1       6.798  -1.941   0.358  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.141  -2.730  -1.903  1.00  0.00           H  
HETATM   46  H   UNL     1       5.077  -2.850   3.134  1.00  0.00           H  
HETATM   47  H   UNL     1       5.242  -4.535   2.586  1.00  0.00           H  
HETATM   48  H   UNL     1       6.424  -3.311   2.066  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.284  -2.364  -3.057  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.628   0.039   0.199  1.00  0.00           H  
HETATM   51  H   UNL     1       7.374   0.076  -3.263  1.00  0.00           H  
HETATM   52  H   UNL     1       8.210  -1.494  -3.329  1.00  0.00           H  
HETATM   53  H   UNL     1       6.648  -1.352  -2.488  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.505   4.964   0.891  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.298   4.811  -0.323  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.992   3.753   0.929  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.912   5.090   1.393  1.00  0.00           H  
HETATM   58  H   UNL     1       2.633  -1.247   0.952  1.00  0.00           H  
HETATM   59  H   UNL     1       4.704   3.143   1.425  1.00  0.00           H  
HETATM   60  H   UNL     1       6.442   2.853   1.177  1.00  0.00           H  
HETATM   61  H   UNL     1       5.621   4.154   0.282  1.00  0.00           H  
HETATM   62  H   UNL     1       2.426  -3.208   0.545  1.00  0.00           H  
HETATM   63  H   UNL     1       2.907  -4.475   1.699  1.00  0.00           H  
HETATM   64  H   UNL     1       2.743  -2.790   2.247  1.00  0.00           H  
HETATM   65  H   UNL     1       5.980  -3.897  -0.322  1.00  0.00           H  
HETATM   66  H   UNL     1       4.798  -5.122   0.199  1.00  0.00           H  
HETATM   67  H   UNL     1       4.317  -3.855  -0.955  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.029  -0.981  -2.005  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.483  -0.324   1.352  1.00  0.00           H  
HETATM   70  H   UNL     1       1.442   3.477   0.695  1.00  0.00           H  
HETATM   71  H   UNL     1       7.669   1.434  -0.108  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.174   0.165  -0.064  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.430  -0.194   1.374  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.692  -0.027  -0.508  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.523  -1.739   1.578  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.963  -2.742   0.219  1.00  0.00           H  
CONECT    1   16   21   43                                            
CONECT    2    7    5    5   17                                       
CONECT    3    4    4   16   26                                       
CONECT    4    3    3    5   28                                       
CONECT    5    2    2    4   44                                       
CONECT    6    9    9   15   45                                       
CONECT    7    2    8   20   19                                       
CONECT    8    7   46   47   48                                       
CONECT    9    6    6   22   49                                       
CONECT   10   22   22   23   50                                       
CONECT   11   29   51   52   53                                       
CONECT   12   25   25   24   54                                       
CONECT   13   24   55   56   57                                       
CONECT   14   25   21   32   32                                       
CONECT   15    6   42   23   23                                       
CONECT   16    1    3   17   17                                       
CONECT   17    2   16   16   58                                       
CONECT   18   26   59   60   61                                       
CONECT   19    7   62   63   64                                       
CONECT   20    7   65   66   67                                       
CONECT   21    1   14   27   27                                       
CONECT   22    9   10   10   68                                       
CONECT   23   10   15   15   69                                       
CONECT   24   12   13   33   33                                       
CONECT   25   12   12   14   70                                       
CONECT   26    3   18                                                 
CONECT   27   21   21                                                 
CONECT   28    4   29   71                                            
CONECT   29   11   28   30   30                                       
CONECT   29   31   31                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   14   14   33   72                                       
CONECT   33   24   24   32   34                                       
CONECT   34   33   35   36                                            
CONECT   35   34   38   38   73                                       
CONECT   36   34   37   37                                            
CONECT   37   36   36   38                                            
CONECT   38   35   35   37   39                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   74                                            
CONECT   42   15   41   75   76                                       
CONECT   43    1                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   28                                                      
CONECT   72   32                                                      
CONECT   73   35                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
