COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.264   3.796   0.541  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.756   3.196  -0.772  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.292   4.319  -1.701  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.800   0.970  -0.218  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.193  -1.345  -0.587  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.715  -0.977  -0.740  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.590  -1.485   0.817  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.933  -2.872   1.297  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.266  -1.108   0.689  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.949   0.168   0.247  1.00  0.00           C  
HETATM   11  C   UNL     1       0.338  -0.366  -0.301  1.00  0.00           C  
HETATM   12  C   UNL     1       2.579  -0.776  -0.759  1.00  0.00           C  
HETATM   13  C   UNL     1       4.187   1.003  -0.600  1.00  0.00           C  
HETATM   14  C   UNL     1       3.257   1.986  -0.916  1.00  0.00           C  
HETATM   15  C   UNL     1       3.556   3.315  -0.689  1.00  0.00           C  
HETATM   16  C   UNL     1       4.780   3.668  -0.149  1.00  0.00           C  
HETATM   17  C   UNL     1       5.707   2.692   0.165  1.00  0.00           C  
HETATM   18  C   UNL     1       5.414   1.361  -0.058  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.661   2.318  -0.502  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.967   1.066  -0.068  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.290   0.680   0.062  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.599  -0.596   0.499  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.041  -1.015   0.634  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.767  -0.053   1.578  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.243  -0.448   1.663  1.00  0.00           C  
HETATM   26  N   UNL     1      -8.844  -0.395   0.324  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.608   0.553   0.118  1.00  0.00           N  
HETATM   28  N   UNL     1       1.605   0.034  -0.369  1.00  0.00           N  
HETATM   29  N   UNL     1       3.885  -0.343  -0.823  1.00  0.00           N  
HETATM   30  S   UNL     1       6.597   0.118   0.343  1.00  0.00           S  
HETATM   31  O   UNL     1       6.698  -0.664  -0.839  1.00  0.00           O  
HETATM   32  O   UNL     1       7.713   0.844   0.839  1.00  0.00           O  
HETATM   33  C   UNL     1       5.817  -0.837   1.674  1.00  0.00           C  
HETATM   34  C   UNL     1       6.804  -1.880   2.200  1.00  0.00           C  
HETATM   35  C   UNL     1       5.417   0.106   2.811  1.00  0.00           C  
HETATM   36  C   UNL     1       2.217  -2.146  -1.119  1.00  0.00           C  
HETATM   37  C   UNL     1       2.888  -3.265  -1.557  1.00  0.00           C  
HETATM   38  N   UNL     1       1.989  -4.245  -1.719  1.00  0.00           N  
HETATM   39  N   UNL     1       0.711  -3.780  -1.387  1.00  0.00           N  
HETATM   40  C   UNL     1       0.795  -2.521  -1.014  1.00  0.00           C  
HETATM   41  N   UNL     1      -0.073  -1.579  -0.600  1.00  0.00           N  
HETATM   42  H   UNL     1      -5.099   4.466   0.335  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.595   2.995   1.202  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.459   4.354   1.020  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.560   2.638  -1.251  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.488   4.878  -1.222  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.930   3.892  -2.636  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.127   4.989  -1.906  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.318   0.996  -1.177  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.289   1.653   0.477  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.763   1.273  -0.356  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.680  -1.304  -1.562  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.276  -2.353  -0.181  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.229  -1.691  -1.404  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.631   0.026  -1.158  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.051  -3.534   0.439  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.133  -3.244   1.936  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.865  -2.840   1.862  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.479  -1.806   0.934  1.00  0.00           H  
HETATM   60  H   UNL     1       2.302   1.712  -1.338  1.00  0.00           H  
HETATM   61  H   UNL     1       2.834   4.080  -0.934  1.00  0.00           H  
HETATM   62  H   UNL     1       5.011   4.708   0.026  1.00  0.00           H  
HETATM   63  H   UNL     1       6.662   2.971   0.586  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.082   1.374  -0.181  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.089  -2.027   1.036  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.318  -0.108   2.570  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.684   0.964   1.196  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.326  -1.460   2.059  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.767   0.244   2.324  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.343   1.463   0.322  1.00  0.00           H  
HETATM   71  H   UNL     1       4.595  -0.973  -1.023  1.00  0.00           H  
HETATM   72  H   UNL     1       4.929  -1.338   1.288  1.00  0.00           H  
HETATM   73  H   UNL     1       7.692  -1.379   2.585  1.00  0.00           H  
HETATM   74  H   UNL     1       6.335  -2.454   2.999  1.00  0.00           H  
HETATM   75  H   UNL     1       7.089  -2.552   1.389  1.00  0.00           H  
HETATM   76  H   UNL     1       4.713   0.849   2.436  1.00  0.00           H  
HETATM   77  H   UNL     1       4.948  -0.468   3.610  1.00  0.00           H  
HETATM   78  H   UNL     1       6.305   0.607   3.196  1.00  0.00           H  
HETATM   79  H   UNL     1       3.950  -3.340  -1.738  1.00  0.00           H  
HETATM   80  H   UNL     1       2.192  -5.143  -2.024  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    3   19    1   45                                       
CONECT    3    2   46   47   48                                       
CONECT    4   26   49   50   51                                       
CONECT    5    6   26   52   53                                       
CONECT    6   23    5   54   55                                       
CONECT    7    9    8   22   22                                       
CONECT    8    7   56   57   58                                       
CONECT    9   10   10    7   59                                       
CONECT   10   27    9    9   20                                       
CONECT   11   41   41   27   28                                       
CONECT   12   36   28   28   29                                       
CONECT   13   29   18   18   14                                       
CONECT   14   13   15   15   60                                       
CONECT   15   14   14   16   61                                       
CONECT   16   17   17   15   62                                       
CONECT   17   18   16   16   63                                       
CONECT   18   30   13   13   17                                       
CONECT   19   20    2                                                 
CONECT   20   10   19   21   21                                       
CONECT   21   20   20   22   64                                       
CONECT   22    7    7   21   23                                       
CONECT   23   22    6   24   65                                       
CONECT   24   23   25   66   67                                       
CONECT   25   24   26   68   69                                       
CONECT   26    5    4   25                                            
CONECT   27   11   10   70                                            
CONECT   28   11   12   12                                            
CONECT   29   12   13   71                                            
CONECT   30   33   31   31   32                                       
CONECT   30   32   18                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   35   34   30   72                                       
CONECT   34   33   73   74   75                                       
CONECT   35   33   76   77   78                                       
CONECT   36   37   37   40   12                                       
CONECT   37   38   36   36   79                                       
CONECT   38   39   37   80                                            
CONECT   39   38   40   40                                            
CONECT   40   39   39   41   36                                       
CONECT   41   40   11   11                                            
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
