COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -39.119  40.050  26.835  1.00  0.00           N  
HETATM    2  N   UNL     1     -40.542  38.301  27.289  1.00  0.00           N  
HETATM    3  C   UNL     1     -41.047  38.336  26.030  1.00  0.00           C  
HETATM    4  C   UNL     1     -40.569  39.268  25.133  1.00  0.00           C  
HETATM    5  C   UNL     1     -39.574  40.149  25.575  1.00  0.00           C  
HETATM    6  C   UNL     1     -42.102  38.076  24.137  1.00  0.00           C  
HETATM    7  N   UNL     1     -41.683  28.699  27.621  1.00  0.00           N  
HETATM    8  CA  UNL     1     -42.979  29.263  27.870  1.00  0.00           C  
HETATM    9  C   UNL     1     -43.987  28.209  28.333  1.00  0.00           C  
HETATM   10  O   UNL     1     -43.609  27.047  28.610  1.00  0.00           O  
HETATM   11  C   UNL     1     -43.537  29.952  26.625  1.00  0.00           C  
HETATM   12  OXT UNL     1     -45.196  28.523  28.458  1.00  0.00           O  
HETATM   13  C   UNL     1     -39.612  39.136  27.673  1.00  0.00           C  
HETATM   14  C   UNL     1     -49.667  31.377  22.581  1.00  0.00           C  
HETATM   15  C   UNL     1     -50.370  35.425  24.236  1.00  0.00           C  
HETATM   16  C   UNL     1     -44.942  31.628  23.226  1.00  0.00           C  
HETATM   17  C   UNL     1     -45.965  31.634  24.440  1.00  0.00           C  
HETATM   18  C   UNL     1     -43.545  31.171  23.709  1.00  0.00           C  
HETATM   19  C   UNL     1     -42.573  31.021  26.033  1.00  0.00           C  
HETATM   20  C   UNL     1     -42.622  33.142  24.771  1.00  0.00           C  
HETATM   21  C   UNL     1     -48.176  32.622  23.831  1.00  0.00           C  
HETATM   22  C   UNL     1     -49.137  33.657  23.916  1.00  0.00           C  
HETATM   23  C   UNL     1     -50.362  33.470  23.294  1.00  0.00           C  
HETATM   24  C   UNL     1     -44.047  34.642  26.000  1.00  0.00           C  
HETATM   25  C   UNL     1     -43.781  36.169  25.379  1.00  0.00           C  
HETATM   26  C   UNL     1     -42.833  34.058  26.007  1.00  0.00           C  
HETATM   27  C   UNL     1     -42.743  36.515  26.001  1.00  0.00           C  
HETATM   28  N   UNL     1     -39.023  41.140  24.694  1.00  0.00           N  
HETATM   29  N   UNL     1     -41.235  39.071  23.981  1.00  0.00           N  
HETATM   30  N   UNL     1     -41.996  37.631  25.387  1.00  0.00           N  
HETATM   31  N   UNL     1     -48.477  31.522  23.164  1.00  0.00           N  
HETATM   32  N   UNL     1     -50.598  32.328  22.639  1.00  0.00           N  
HETATM   33  N   UNL     1     -49.184  34.872  24.484  1.00  0.00           N  
HETATM   34  N   UNL     1     -46.876  32.761  24.454  1.00  0.00           N  
HETATM   35  N   UNL     1     -43.322  31.847  25.034  1.00  0.00           N  
HETATM   36  N   UNL     1     -51.096  34.581  23.514  1.00  0.00           N  
HETATM   37  O   UNL     1     -44.518  34.836  27.336  1.00  0.00           O  
HETATM   38  O   UNL     1     -44.920  37.034  25.718  1.00  0.00           O  
HETATM   39  O   UNL     1     -41.827  35.168  25.864  1.00  0.00           O  
HETATM   40  H   UNL     1     -42.774  37.695  23.382  1.00  0.00           H  
HETATM   41  H1  UNL     1     -41.057  29.419  27.322  1.00  0.00           H  
HETATM   42  H2  UNL     1     -41.334  28.282  28.460  1.00  0.00           H  
HETATM   43  HA  UNL     1     -42.894  30.019  28.664  1.00  0.00           H  
HETATM   44  H   UNL     1     -43.726  29.187  25.857  1.00  0.00           H  
HETATM   45  H   UNL     1     -44.484  30.444  26.892  1.00  0.00           H  
HETATM   46  HXT UNL     1     -45.688  27.772  28.770  1.00  0.00           H  
HETATM   47  H   UNL     1     -39.237  39.085  28.684  1.00  0.00           H  
HETATM   48  H   UNL     1     -49.882  30.463  22.047  1.00  0.00           H  
HETATM   49  H   UNL     1     -50.689  36.402  24.569  1.00  0.00           H  
HETATM   50  H   UNL     1     -45.303  30.937  22.450  1.00  0.00           H  
HETATM   51  H   UNL     1     -44.868  32.643  22.808  1.00  0.00           H  
HETATM   52  H   UNL     1     -46.561  30.711  24.391  1.00  0.00           H  
HETATM   53  H   UNL     1     -45.387  31.648  25.376  1.00  0.00           H  
HETATM   54  H   UNL     1     -43.521  30.078  23.829  1.00  0.00           H  
HETATM   55  H   UNL     1     -42.772  31.478  22.989  1.00  0.00           H  
HETATM   56  H   UNL     1     -41.726  30.522  25.539  1.00  0.00           H  
HETATM   57  H   UNL     1     -42.198  31.668  26.840  1.00  0.00           H  
HETATM   58  H   UNL     1     -43.045  33.620  23.875  1.00  0.00           H  
HETATM   59  H   UNL     1     -41.548  32.962  24.618  1.00  0.00           H  
HETATM   60  H   UNL     1     -44.784  34.123  25.369  1.00  0.00           H  
HETATM   61  H   UNL     1     -43.659  36.085  24.289  1.00  0.00           H  
HETATM   62  H   UNL     1     -42.641  33.486  26.927  1.00  0.00           H  
HETATM   63  H   UNL     1     -42.908  36.711  27.071  1.00  0.00           H  
HETATM   64  H   UNL     1     -38.320  41.662  25.177  1.00  0.00           H  
HETATM   65  H   UNL     1     -38.616  40.690  23.899  1.00  0.00           H  
HETATM   66  H   UNL     1     -47.034  32.998  25.413  1.00  0.00           H  
HETATM   67  H   UNL     1     -44.686  33.992  27.739  1.00  0.00           H  
HETATM   68  H   UNL     1     -44.773  37.904  25.367  1.00  0.00           H  
HETATM   69  C1* UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   70  O4* UNL     1       0.000   0.000   0.000  1.00  0.00           O  
HETATM   71  C4* UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   72  C3* UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   73  C2* UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   74  H4* UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   75  O3* UNL     1       0.000   0.000   0.000  1.00  0.00           O  
HETATM   76  O2* UNL     1       0.000   0.000   0.000  1.00  0.00           O  
HETATM   77  C5* UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   78  O5* UNL     1       0.000   0.000   0.000  1.00  0.00           O  
HETATM   79  H5* UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   80  H3* UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   81  H2* UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   82  H1* UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   83  H3* UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   84  H2* UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   85 H5*1 UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   86 H5*2 UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1   13   13    5                                            
CONECT    2   13    3    3                                            
CONECT    3    2    2    4   30                                       
CONECT    4    3    5    5   29                                       
CONECT    5    1    4    4   28                                       
CONECT    6   29   29   30   40                                       
CONECT    7    8   41   42                                            
CONECT    8    7    9   11   43                                       
CONECT    9    8   10   10   12                                       
CONECT   10    9    9                                                 
CONECT   11    8   19   44   45                                       
CONECT   12    9   46                                                 
CONECT   13    1    1    2   47                                       
CONECT   14   31   31   32   48                                       
CONECT   15   33   33   36   49                                       
CONECT   16   17   18   50   51                                       
CONECT   17   16   34   52   53                                       
CONECT   18   16   35   54   55                                       
CONECT   19   35   11   56   57                                       
CONECT   20   26   35   58   59                                       
CONECT   21   31   22   22   34                                       
CONECT   22   33   21   21   23                                       
CONECT   23   32   32   22   36                                       
CONECT   24   37   25   26   60                                       
CONECT   25   38   24   27   61                                       
CONECT   26   20   24   39   62                                       
CONECT   27   25   39   30   63                                       
CONECT   28    5   64   65                                            
CONECT   29    4    6    6                                            
CONECT   30   27    3    6                                            
CONECT   31   14   14   21                                            
CONECT   32   14   23   23                                            
CONECT   33   15   15   22                                            
CONECT   34   17   21   66                                            
CONECT   35   18   19   20                                            
CONECT   36   15   23   69                                            
CONECT   37   24   67                                                 
CONECT   38   25   68                                                 
CONECT   39   26   27                                                 
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   34                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   70   73   36   82                                       
CONECT   70   69   71                                                 
CONECT   71   70   72   74   77                                       
CONECT   72   71   73   75   83                                       
CONECT   73   72   69   76   84                                       
CONECT   74   71                                                      
CONECT   75   72   80                                                 
CONECT   76   73   81                                                 
CONECT   77   71   78   85   86                                       
CONECT   78   77   79                                                 
CONECT   79   78                                                      
CONECT   80   75                                                      
CONECT   81   76                                                      
CONECT   82   69                                                      
CONECT   83   72                                                      
CONECT   84   73                                                      
CONECT   85   77                                                      
CONECT   86   77                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
