COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.912   2.943   1.379  1.00  0.00           O  
HETATM    2  C   UNL     1       4.231   2.570   0.444  1.00  0.00           C  
HETATM    3  C   UNL     1       3.065   3.375   0.010  1.00  0.00           C  
HETATM    4  C   UNL     1       2.731   4.566   0.662  1.00  0.00           C  
HETATM    5  C   UNL     1       1.636   5.284   0.223  1.00  0.00           C  
HETATM    6  N   UNL     1       0.911   4.861  -0.793  1.00  0.00           N  
HETATM    7  C   UNL     1       1.191   3.745  -1.435  1.00  0.00           C  
HETATM    8  C   UNL     1       2.272   2.967  -1.067  1.00  0.00           C  
HETATM    9  N   UNL     1       4.536   1.425  -0.198  1.00  0.00           N  
HETATM   10  C   UNL     1       5.689   0.629   0.232  1.00  0.00           C  
HETATM   11  C   UNL     1       6.949   1.190  -0.449  1.00  0.00           C  
HETATM   12  N   UNL     1       8.114   0.283  -0.398  1.00  0.00           N  
HETATM   13  C   UNL     1       8.180  -0.313   0.915  1.00  0.00           C  
HETATM   14  C   UNL     1       7.537  -1.700   0.808  1.00  0.00           C  
HETATM   15  C   UNL     1       6.095  -1.700   1.016  1.00  0.00           C  
HETATM   16  C   UNL     1       5.407  -0.819  -0.067  1.00  0.00           C  
HETATM   17  N   UNL     1       3.961  -1.053  -0.043  1.00  0.00           N  
HETATM   18  C   UNL     1       3.433  -2.080  -0.738  1.00  0.00           C  
HETATM   19  O   UNL     1       4.157  -2.813  -1.384  1.00  0.00           O  
HETATM   20  C   UNL     1       1.972  -2.317  -0.715  1.00  0.00           C  
HETATM   21  C   UNL     1       1.426  -3.381  -1.435  1.00  0.00           C  
HETATM   22  C   UNL     1       0.066  -3.601  -1.413  1.00  0.00           C  
HETATM   23  C   UNL     1       1.141  -1.476   0.027  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.220  -1.692   0.044  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.766  -2.759  -0.671  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.226  -2.996  -0.648  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.714  -3.859  -1.351  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.090  -2.184   0.228  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.126  -2.432   1.608  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.365  -3.421   2.142  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.942  -1.664   2.426  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.716  -0.658   1.885  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.686  -0.405   0.517  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.882  -1.167  -0.313  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.475   0.617  -0.022  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.203   1.222   1.098  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.099   2.351   0.584  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.121   1.775  -0.400  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.047   0.802   0.334  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.949   2.912  -1.003  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.378   1.033  -1.515  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.466  -0.028  -0.890  1.00  0.00           C  
HETATM   43  H   UNL     1       3.320   4.918   1.495  1.00  0.00           H  
HETATM   44  H   UNL     1       1.369   6.205   0.721  1.00  0.00           H  
HETATM   45  H   UNL     1       0.570   3.436  -2.263  1.00  0.00           H  
HETATM   46  H   UNL     1       2.496   2.054  -1.598  1.00  0.00           H  
HETATM   47  H   UNL     1       3.993   1.128  -0.944  1.00  0.00           H  
HETATM   48  H   UNL     1       5.801   0.740   1.311  1.00  0.00           H  
HETATM   49  H   UNL     1       7.218   2.128   0.035  1.00  0.00           H  
HETATM   50  H   UNL     1       6.714   1.396  -1.493  1.00  0.00           H  
HETATM   51  H   UNL     1       8.935   0.861  -0.496  1.00  0.00           H  
HETATM   52  H   UNL     1       7.629   0.299   1.629  1.00  0.00           H  
HETATM   53  H   UNL     1       9.219  -0.408   1.229  1.00  0.00           H  
HETATM   54  H   UNL     1       7.995  -2.354   1.550  1.00  0.00           H  
HETATM   55  H   UNL     1       7.745  -2.105  -0.183  1.00  0.00           H  
HETATM   56  H   UNL     1       5.872  -1.299   2.005  1.00  0.00           H  
HETATM   57  H   UNL     1       5.719  -2.721   0.946  1.00  0.00           H  
HETATM   58  H   UNL     1       5.802  -1.074  -1.050  1.00  0.00           H  
HETATM   59  H   UNL     1       3.383  -0.469   0.472  1.00  0.00           H  
HETATM   60  H   UNL     1       2.069  -4.031  -2.008  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.357  -4.424  -1.970  1.00  0.00           H  
HETATM   62  H   UNL     1       1.564  -0.653   0.584  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.863  -1.041   0.618  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.901  -4.226   2.126  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.970  -1.854   3.489  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.348  -0.063   2.527  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.860  -0.970  -1.375  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.491   1.624   1.819  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.819   0.464   1.583  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.488   3.099   0.078  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.620   2.813   1.423  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.771   0.390  -0.368  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.456  -0.007   0.764  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.572   1.330   1.130  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.474   3.441  -0.208  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.288   3.604  -1.526  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.673   2.500  -1.706  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.098   0.551  -2.177  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.776   1.741  -2.085  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.954  -0.576  -1.680  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.067  -0.720  -0.301  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   43                                       
CONECT    5    4    6    6   44                                       
CONECT    6    5    5    7                                            
CONECT    7    6    8    8   45                                       
CONECT    8    3    7    7   46                                       
CONECT    9    2   10   47                                            
CONECT   10    9   11   16   48                                       
CONECT   11   10   12   49   50                                       
CONECT   12   11   13   51                                            
CONECT   13   12   14   52   53                                       
CONECT   14   13   15   54   55                                       
CONECT   15   14   16   56   57                                       
CONECT   16   10   15   17   58                                       
CONECT   17   16   18   59                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   21   23                                       
CONECT   21   20   20   22   60                                       
CONECT   22   21   25   25   61                                       
CONECT   23   20   24   24   62                                       
CONECT   24   23   23   25   63                                       
CONECT   25   22   22   24   26                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   29   34                                       
CONECT   29   28   28   30   31                                       
CONECT   30   29   64                                                 
CONECT   31   29   32   32   65                                       
CONECT   32   31   31   33   66                                       
CONECT   33   32   34   34   35                                       
CONECT   34   28   33   33   67                                       
CONECT   35   33   36   42                                            
CONECT   36   35   37   68   69                                       
CONECT   37   36   38   70   71                                       
CONECT   38   37   39   40   41                                       
CONECT   39   38   72   73   74                                       
CONECT   40   38   75   76   77                                       
CONECT   41   38   42   78   79                                       
CONECT   42   35   41   80   81                                       
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
