COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.730  -2.638  -0.679  1.00  0.00           N  
HETATM    2  C   UNL     1       2.562  -2.172  -0.262  1.00  0.00           C  
HETATM    3  N   UNL     1       1.533  -2.976  -0.038  1.00  0.00           N  
HETATM    4  C   UNL     1       1.645  -4.287  -0.227  1.00  0.00           C  
HETATM    5  C   UNL     1       2.865  -4.807  -0.666  1.00  0.00           C  
HETATM    6  C   UNL     1       3.912  -3.934  -0.887  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.983   5.464   2.487  1.00  0.00           C  
HETATM    8  C   UNL     1       0.752  -6.579  -0.009  1.00  0.00           C  
HETATM    9  C   UNL     1       9.498   3.337  -0.087  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.076  -1.237  -0.304  1.00  0.00           O  
HETATM   11  O   UNL     1      -5.042   3.565  -2.458  1.00  0.00           O  
HETATM   12  O   UNL     1       8.662   0.839  -0.198  1.00  0.00           O  
HETATM   13  O   UNL     1       7.857   2.229   1.653  1.00  0.00           O  
HETATM   14  C   UNL     1      -8.187   1.335  -0.688  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.773   0.180  -0.053  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.259   2.260  -1.123  1.00  0.00           C  
HETATM   17  C   UNL     1       4.735   1.996   0.435  1.00  0.00           C  
HETATM   18  C   UNL     1       5.523   0.637  -1.376  1.00  0.00           C  
HETATM   19  C   UNL     1       3.655   1.152   0.603  1.00  0.00           C  
HETATM   20  C   UNL     1       4.442  -0.208  -1.217  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.539  -4.224   1.758  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.607  -3.334  -0.475  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.291  -4.759   1.507  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.362  -3.873  -0.728  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.479   0.864  -0.279  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.716   5.336   0.184  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.386   3.627   1.768  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.894   4.378  -1.000  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.592   2.600   0.650  1.00  0.00           C  
HETATM   30  C   UNL     1       6.841   2.667  -0.740  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.471  -2.976   1.020  1.00  0.00           N  
HETATM   32  N   UNL     1      -6.004  -1.230   0.798  1.00  0.00           N  
HETATM   33  N   UNL     1       2.412  -0.811  -0.056  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.824  -1.794   0.477  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.902   3.022  -1.380  1.00  0.00           C  
HETATM   36  C   UNL     1       5.666   1.740  -0.555  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.202  -3.513   0.767  1.00  0.00           C  
HETATM   38  C   UNL     1       3.504   0.046  -0.224  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.419  -0.058   0.153  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.898   2.033  -0.915  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.699  -4.585   0.263  1.00  0.00           C  
HETATM   42  N   UNL     1      -2.330   4.569   1.376  1.00  0.00           N  
HETATM   43  N   UNL     1       0.567  -5.126   0.009  1.00  0.00           N  
HETATM   44  N   UNL     1      -3.839   3.321  -0.608  1.00  0.00           N  
HETATM   45  S   UNL     1       8.225   2.101   0.287  1.00  0.00           S  
HETATM   46  H   UNL     1       2.986  -5.868  -0.828  1.00  0.00           H  
HETATM   47  H   UNL     1       4.868  -4.303  -1.226  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.843   6.086   2.735  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.701   4.871   3.357  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.147   6.100   2.195  1.00  0.00           H  
HETATM   51  H   UNL     1       1.007  -6.925   0.993  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.170  -7.059  -0.335  1.00  0.00           H  
HETATM   53  H   UNL     1       1.558  -6.835  -0.697  1.00  0.00           H  
HETATM   54  H   UNL     1       9.137   4.327   0.191  1.00  0.00           H  
HETATM   55  H   UNL     1      10.403   3.109   0.478  1.00  0.00           H  
HETATM   56  H   UNL     1       9.722   3.318  -1.153  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.240   1.512  -0.850  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.503  -0.540   0.285  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.587   3.159  -1.623  1.00  0.00           H  
HETATM   60  H   UNL     1       4.850   2.859   1.074  1.00  0.00           H  
HETATM   61  H   UNL     1       6.252   0.440  -2.148  1.00  0.00           H  
HETATM   62  H   UNL     1       2.928   1.352   1.376  1.00  0.00           H  
HETATM   63  H   UNL     1       4.325  -1.065  -1.864  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.002  -4.364   2.724  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.123  -2.780  -1.245  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.775  -5.312   2.278  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.903  -3.741  -1.697  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.427   0.683  -0.115  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.938   6.062  -0.050  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.654   5.857   0.374  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.315   4.172   1.937  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.094   3.114   2.685  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.291   4.924  -1.856  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.933   3.936  -1.261  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.698   1.984   0.550  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.448   1.967   0.887  1.00  0.00           H  
HETATM   77  H   UNL     1       7.142   2.667  -1.788  1.00  0.00           H  
HETATM   78  H   UNL     1       6.557   3.677  -0.443  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.096  -3.454   1.587  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.567  -1.635   1.476  1.00  0.00           H  
HETATM   81  H   UNL     1       1.550  -0.452   0.205  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    1   33    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   43                                       
CONECT    5    4    4    6   46                                       
CONECT    6    1    1    5   47                                       
CONECT    7   42   48   49   50                                       
CONECT    8   43   51   52   53                                       
CONECT    9   45   54   55   56                                       
CONECT   10   34   34                                                 
CONECT   11   35   35                                                 
CONECT   12   45   45                                                 
CONECT   13   45   45                                                 
CONECT   14   15   15   16   57                                       
CONECT   15   14   14   39   58                                       
CONECT   16   14   40   40   59                                       
CONECT   17   19   19   36   60                                       
CONECT   18   20   36   36   61                                       
CONECT   19   17   17   38   62                                       
CONECT   20   18   38   38   63                                       
CONECT   21   23   23   37   64                                       
CONECT   22   24   37   37   65                                       
CONECT   23   21   21   41   66                                       
CONECT   24   22   41   41   67                                       
CONECT   25   39   39   40   68                                       
CONECT   26   28   42   69   70                                       
CONECT   27   29   42   71   72                                       
CONECT   28   26   44   73   74                                       
CONECT   29   27   44   75   76                                       
CONECT   30   36   45   77   78                                       
CONECT   31   37   34   79                                            
CONECT   32   34   39   80                                            
CONECT   33    2   38   81                                            
CONECT   34   10   10   31   32                                       
CONECT   35   11   11   40   44                                       
CONECT   36   17   18   18   30                                       
CONECT   37   21   22   22   31                                       
CONECT   38   19   20   20   33                                       
CONECT   39   15   25   25   32                                       
CONECT   40   16   16   25   35                                       
CONECT   41   23   24   24   43                                       
CONECT   42    7   26   27                                            
CONECT   43    4    8   41                                            
CONECT   44   28   29   35                                            
CONECT   45    9   12   12   13                                       
CONECT   45   13   30                                                 
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
