COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.054   2.060  -0.243  1.00  0.00           C  
HETATM    2  C   UNL     1       4.700   2.130  -0.579  1.00  0.00           C  
HETATM    3  C   UNL     1       3.867   2.907   0.203  1.00  0.00           C  
HETATM    4  C   UNL     1       5.661   3.473   1.535  1.00  0.00           C  
HETATM    5  C   UNL     1       4.160   1.376  -1.767  1.00  0.00           C  
HETATM    6  C   UNL     1       3.830  -0.036  -1.358  1.00  0.00           C  
HETATM    7  C   UNL     1       4.796  -1.025  -1.454  1.00  0.00           C  
HETATM    8  C   UNL     1       4.507  -2.326  -1.076  1.00  0.00           C  
HETATM    9  C   UNL     1       6.739  -2.891  -1.674  1.00  0.00           C  
HETATM   10  C   UNL     1       3.242  -2.646  -0.597  1.00  0.00           C  
HETATM   11  C   UNL     1       2.263  -1.646  -0.499  1.00  0.00           C  
HETATM   12  C   UNL     1       0.922  -1.971   0.006  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.017  -1.005   0.099  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.351  -1.329   0.601  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.921   1.706  -0.196  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.284   1.170  -0.359  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.647  -0.002   0.314  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.631  -0.683   1.198  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.914  -0.518   0.170  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.837   0.126  -0.643  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.383  -1.587  -0.068  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.484   1.295  -1.315  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.965   3.115  -2.768  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.212   1.818  -1.175  1.00  0.00           C  
HETATM   25  C   UNL     1       2.572  -0.336  -0.885  1.00  0.00           C  
HETATM   26  C   UNL     1       3.201  -4.271   1.138  1.00  0.00           C  
HETATM   27  N   UNL     1       6.927   1.298  -1.002  1.00  0.00           N  
HETATM   28  N   UNL     1       4.372   3.558   1.240  1.00  0.00           N  
HETATM   29  N   UNL     1       6.150   4.168   2.627  1.00  0.00           N  
HETATM   30  N   UNL     1       6.493   2.739   0.811  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.288  -0.365   0.694  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.989   0.949   0.304  1.00  0.00           N  
HETATM   33  O   UNL     1       5.461  -3.290  -1.174  1.00  0.00           O  
HETATM   34  O   UNL     1      -8.089  -0.386  -0.785  1.00  0.00           O  
HETATM   35  O   UNL     1      -7.393   1.922  -2.109  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.615  -2.469   0.936  1.00  0.00           O  
HETATM   37  O   UNL     1       2.955  -3.921  -0.226  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.775  -0.174   2.633  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.826  -0.750   3.686  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.301  -1.156   3.682  1.00  0.00           C  
HETATM   41  H   UNL     1       2.815   2.983  -0.030  1.00  0.00           H  
HETATM   42  H   UNL     1       3.259   1.869  -2.131  1.00  0.00           H  
HETATM   43  H   UNL     1       4.910   1.359  -2.558  1.00  0.00           H  
HETATM   44  H   UNL     1       5.780  -0.780  -1.825  1.00  0.00           H  
HETATM   45  H   UNL     1       6.625  -2.488  -2.681  1.00  0.00           H  
HETATM   46  H   UNL     1       7.161  -2.126  -1.022  1.00  0.00           H  
HETATM   47  H   UNL     1       7.404  -3.753  -1.701  1.00  0.00           H  
HETATM   48  H   UNL     1       0.688  -2.983   0.303  1.00  0.00           H  
HETATM   49  H   UNL     1       0.218   0.006  -0.199  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.696   2.720  -0.494  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.789  -1.761   1.174  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.191  -1.424   0.689  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.706  -2.377  -0.390  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.257  -1.413   1.000  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.412  -1.886  -0.269  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.667   3.854  -2.024  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.117   2.889  -3.415  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.783   3.513  -3.368  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.938   2.724  -1.695  1.00  0.00           H  
HETATM   60  H   UNL     1       1.824   0.439  -0.809  1.00  0.00           H  
HETATM   61  H   UNL     1       2.930  -5.314   1.299  1.00  0.00           H  
HETATM   62  H   UNL     1       4.259  -4.131   1.363  1.00  0.00           H  
HETATM   63  H   UNL     1       2.603  -3.634   1.790  1.00  0.00           H  
HETATM   64  H   UNL     1       7.867   1.257  -0.765  1.00  0.00           H  
HETATM   65  H   UNL     1       6.599   0.804  -1.770  1.00  0.00           H  
HETATM   66  H   UNL     1       7.092   4.114   2.855  1.00  0.00           H  
HETATM   67  H   UNL     1       5.552   4.709   3.166  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.063   0.873   2.735  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.099  -1.492   3.355  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.490  -0.083   4.480  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.935  -0.756   4.473  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.544  -2.165   3.349  1.00  0.00           H  
CONECT    1    2    2   30   27                                       
CONECT    2    3    5    1    1                                       
CONECT    3   28   28    2   41                                       
CONECT    4   28   29   30   30                                       
CONECT    5    6    2   42   43                                       
CONECT    6    7    7   25    5                                       
CONECT    7    8    6    6   44                                       
CONECT    8   33   10   10    7                                       
CONECT    9   33   45   46   47                                       
CONECT   10   37    8    8   11                                       
CONECT   11   10   12   25   25                                       
CONECT   12   11   13   13   48                                       
CONECT   13   12   12   14   49                                       
CONECT   14   13   31   36   36                                       
CONECT   15   32   32   16   50                                       
CONECT   16   15   17   17   24                                       
CONECT   17   18   16   16   19                                       
CONECT   18   31   17   38   51                                       
CONECT   19   17   20   20   52                                       
CONECT   20   19   19   22   34                                       
CONECT   21   34   53   54   55                                       
CONECT   22   24   24   20   35                                       
CONECT   23   35   56   57   58                                       
CONECT   24   16   22   22   59                                       
CONECT   25   11   11    6   60                                       
CONECT   26   37   61   62   63                                       
CONECT   27    1   64   65                                            
CONECT   28    3    3    4                                            
CONECT   29    4   66   67                                            
CONECT   30    4    4    1                                            
CONECT   31   32   14   18                                            
CONECT   32   15   15   31                                            
CONECT   33    9    8                                                 
CONECT   34   20   21                                                 
CONECT   35   22   23                                                 
CONECT   36   14   14                                                 
CONECT   37   26   10                                                 
CONECT   38   18   39   40   68                                       
CONECT   39   38   40   69   70                                       
CONECT   40   38   39   71   72                                       
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
