COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.981   0.321   0.237  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.985   1.302   0.839  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.724   0.618   1.355  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.785   1.560   1.947  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.949   1.801   3.379  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.128   0.838   4.228  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.310   1.068   5.721  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.785   2.198   1.190  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.614   2.020  -0.023  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.895   3.139   1.851  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.233   4.491   1.914  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.381   5.394   2.549  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.190   4.946   3.120  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.878   3.604   3.044  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.704   2.691   2.422  1.00  0.00           C  
HETATM   16  C   UNL     1       0.392   3.128   3.649  1.00  0.00           C  
HETATM   17  O   UNL     1       1.331   3.911   3.768  1.00  0.00           O  
HETATM   18  N   UNL     1       0.402   1.807   4.062  1.00  0.00           N  
HETATM   19  C   UNL     1       1.558   1.203   4.693  1.00  0.00           C  
HETATM   20  C   UNL     1       1.176   0.776   6.124  1.00  0.00           C  
HETATM   21  C   UNL     1       1.064   1.924   7.096  1.00  0.00           C  
HETATM   22  C   UNL     1       2.184   2.321   7.811  1.00  0.00           C  
HETATM   23  C   UNL     1       2.081   3.383   8.709  1.00  0.00           C  
HETATM   24  C   UNL     1       0.860   4.035   8.882  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.258   3.625   8.156  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.155   2.563   7.257  1.00  0.00           C  
HETATM   27  C   UNL     1       2.110   0.047   3.830  1.00  0.00           C  
HETATM   28  O   UNL     1       2.499   0.558   2.555  1.00  0.00           O  
HETATM   29  C   UNL     1       1.087  -1.076   3.636  1.00  0.00           C  
HETATM   30  N   UNL     1       1.667  -2.142   2.787  1.00  0.00           N  
HETATM   31  C   UNL     1       0.718  -3.224   2.631  1.00  0.00           C  
HETATM   32  C   UNL     1       1.254  -4.320   1.755  1.00  0.00           C  
HETATM   33  C   UNL     1       1.965  -5.369   2.325  1.00  0.00           C  
HETATM   34  C   UNL     1       2.463  -6.387   1.511  1.00  0.00           C  
HETATM   35  C   UNL     1       2.246  -6.348   0.133  1.00  0.00           C  
HETATM   36  C   UNL     1       1.531  -5.291  -0.430  1.00  0.00           C  
HETATM   37  O   UNL     1       1.319  -5.253  -1.774  1.00  0.00           O  
HETATM   38  C   UNL     1       1.855  -6.326  -2.546  1.00  0.00           C  
HETATM   39  C   UNL     1       1.033  -4.273   0.384  1.00  0.00           C  
HETATM   40  H   UNL     1      -8.271  -0.441   0.968  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.887   0.850  -0.077  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.565  -0.183  -0.641  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.468   1.827   1.671  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.723   2.056   0.087  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.983  -0.107   2.132  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.204   0.086   0.552  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.014   1.684   3.603  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.672   2.841   3.578  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.431  -0.189   3.992  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.064   0.928   3.976  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.363   0.975   6.007  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.739   0.326   6.289  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.958   2.061   6.018  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.159   4.851   1.473  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.645   6.446   2.599  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.532   5.659   3.611  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.439   1.637   2.372  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.431   1.236   3.990  1.00  0.00           H  
HETATM   59  H   UNL     1       2.316   1.995   4.740  1.00  0.00           H  
HETATM   60  H   UNL     1       0.242   0.199   6.112  1.00  0.00           H  
HETATM   61  H   UNL     1       1.931   0.080   6.514  1.00  0.00           H  
HETATM   62  H   UNL     1       3.139   1.820   7.683  1.00  0.00           H  
HETATM   63  H   UNL     1       2.952   3.702   9.275  1.00  0.00           H  
HETATM   64  H   UNL     1       0.780   4.862   9.582  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.209   4.132   8.290  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.032   2.250   6.696  1.00  0.00           H  
HETATM   67  H   UNL     1       3.010  -0.359   4.306  1.00  0.00           H  
HETATM   68  H   UNL     1       3.366   0.973   2.679  1.00  0.00           H  
HETATM   69  H   UNL     1       0.180  -0.714   3.140  1.00  0.00           H  
HETATM   70  H   UNL     1       0.812  -1.528   4.595  1.00  0.00           H  
HETATM   71  H   UNL     1       1.889  -1.736   1.887  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.203  -2.807   2.208  1.00  0.00           H  
HETATM   73  H   UNL     1       0.475  -3.603   3.629  1.00  0.00           H  
HETATM   74  H   UNL     1       2.138  -5.408   3.397  1.00  0.00           H  
HETATM   75  H   UNL     1       3.018  -7.210   1.950  1.00  0.00           H  
HETATM   76  H   UNL     1       2.635  -7.144  -0.495  1.00  0.00           H  
HETATM   77  H   UNL     1       2.828  -6.616  -2.143  1.00  0.00           H  
HETATM   78  H   UNL     1       1.960  -6.010  -3.587  1.00  0.00           H  
HETATM   79  H   UNL     1       1.173  -7.178  -2.493  1.00  0.00           H  
HETATM   80  H   UNL     1       0.477  -3.450  -0.058  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2    4   45   46                                       
CONECT    4    3    5    8                                            
CONECT    5    4    6   47   48                                       
CONECT    6    5    7   49   50                                       
CONECT    7    6   51   52   53                                       
CONECT    8    4    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   15   15                                       
CONECT   11   10   12   12   54                                       
CONECT   12   11   11   13   55                                       
CONECT   13   12   14   14   56                                       
CONECT   14   13   13   15   16                                       
CONECT   15   10   10   14   57                                       
CONECT   16   14   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   58                                            
CONECT   19   18   20   27   59                                       
CONECT   20   19   21   60   61                                       
CONECT   21   20   22   26   26                                       
CONECT   22   21   23   23   62                                       
CONECT   23   22   22   24   63                                       
CONECT   24   23   25   25   64                                       
CONECT   25   24   24   26   65                                       
CONECT   26   21   21   25   66                                       
CONECT   27   19   28   29   67                                       
CONECT   28   27   68                                                 
CONECT   29   27   30   69   70                                       
CONECT   30   29   31   71                                            
CONECT   31   30   32   72   73                                       
CONECT   32   31   33   39   39                                       
CONECT   33   32   34   34   74                                       
CONECT   34   33   33   35   75                                       
CONECT   35   34   36   36   76                                       
CONECT   36   35   35   37   39                                       
CONECT   37   36   38                                                 
CONECT   38   37   77   78   79                                       
CONECT   39   32   32   36   80                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
