COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.905  -1.207   1.327  1.00  0.00           O  
HETATM    2  C   UNL     1       2.545  -1.866   0.375  1.00  0.00           C  
HETATM    3  C   UNL     1       3.411  -2.988  -0.135  1.00  0.00           C  
HETATM    4  C   UNL     1       3.184  -4.379   0.454  1.00  0.00           C  
HETATM    5  C   UNL     1       3.355  -5.585  -0.474  1.00  0.00           C  
HETATM    6  C   UNL     1       1.985  -5.957  -1.051  1.00  0.00           C  
HETATM    7  N   UNL     1       1.040  -6.193   0.047  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.219  -6.761  -0.455  1.00  0.00           C  
HETATM    9  C   UNL     1       0.794  -4.969   0.820  1.00  0.00           C  
HETATM   10  C   UNL     1       2.089  -4.536   1.515  1.00  0.00           C  
HETATM   11  C   UNL     1       4.435  -3.587   0.832  1.00  0.00           C  
HETATM   12  N   UNL     1       1.367  -1.599  -0.223  1.00  0.00           N  
HETATM   13  C   UNL     1       0.521  -0.511   0.277  1.00  0.00           C  
HETATM   14  C   UNL     1       0.971   0.812  -0.345  1.00  0.00           C  
HETATM   15  C   UNL     1       2.385   1.146   0.133  1.00  0.00           C  
HETATM   16  C   UNL     1       2.835   2.469  -0.490  1.00  0.00           C  
HETATM   17  C   UNL     1       4.249   2.804  -0.012  1.00  0.00           C  
HETATM   18  C   UNL     1       4.699   4.127  -0.635  1.00  0.00           C  
HETATM   19  C   UNL     1       6.113   4.461  -0.157  1.00  0.00           C  
HETATM   20  O   UNL     1       6.119   4.579   1.267  1.00  0.00           O  
HETATM   21  O   UNL     1       7.008   3.420  -0.553  1.00  0.00           O  
HETATM   22  C   UNL     1       6.562   5.785  -0.780  1.00  0.00           C  
HETATM   23  C   UNL     1       7.977   6.119  -0.302  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.914  -0.780  -0.094  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.373  -1.901  -0.693  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.722  -1.754  -0.858  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.047  -0.536  -0.349  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.914   0.030   0.115  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.404   0.061  -0.306  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.586   1.316   0.244  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.872   1.873   0.281  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.969   1.146  -0.246  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.749  -0.129  -0.799  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.495  -0.651  -0.831  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.100   3.149   0.832  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.378   3.631   0.834  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.411   2.864   0.300  1.00  0.00           C  
HETATM   38  N   UNL     1      -8.195   1.677  -0.212  1.00  0.00           N  
HETATM   39  C   UNL     1      -9.814   3.413   0.312  1.00  0.00           C  
HETATM   40  H   UNL     1       3.688  -2.927  -1.188  1.00  0.00           H  
HETATM   41  H   UNL     1       4.036  -5.329  -1.286  1.00  0.00           H  
HETATM   42  H   UNL     1       3.755  -6.428   0.090  1.00  0.00           H  
HETATM   43  H   UNL     1       1.620  -5.141  -1.676  1.00  0.00           H  
HETATM   44  H   UNL     1       2.077  -6.861  -1.653  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.017  -7.709  -0.952  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.901  -6.926   0.380  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.673  -6.068  -1.163  1.00  0.00           H  
HETATM   48  H   UNL     1       0.458  -4.177   0.150  1.00  0.00           H  
HETATM   49  H   UNL     1       0.026  -5.161   1.569  1.00  0.00           H  
HETATM   50  H   UNL     1       2.387  -5.294   2.239  1.00  0.00           H  
HETATM   51  H   UNL     1       1.932  -3.584   2.022  1.00  0.00           H  
HETATM   52  H   UNL     1       5.386  -3.920   0.417  1.00  0.00           H  
HETATM   53  H   UNL     1       4.481  -3.170   1.838  1.00  0.00           H  
HETATM   54  H   UNL     1       1.079  -2.126  -0.984  1.00  0.00           H  
HETATM   55  H   UNL     1       0.611  -0.451   1.362  1.00  0.00           H  
HETATM   56  H   UNL     1       0.966   0.722  -1.432  1.00  0.00           H  
HETATM   57  H   UNL     1       0.288   1.606  -0.043  1.00  0.00           H  
HETATM   58  H   UNL     1       2.390   1.236   1.219  1.00  0.00           H  
HETATM   59  H   UNL     1       3.068   0.352  -0.169  1.00  0.00           H  
HETATM   60  H   UNL     1       2.830   2.380  -1.577  1.00  0.00           H  
HETATM   61  H   UNL     1       2.152   3.263  -0.188  1.00  0.00           H  
HETATM   62  H   UNL     1       4.254   2.893   1.074  1.00  0.00           H  
HETATM   63  H   UNL     1       4.932   2.010  -0.314  1.00  0.00           H  
HETATM   64  H   UNL     1       4.694   4.037  -1.721  1.00  0.00           H  
HETATM   65  H   UNL     1       4.016   4.921  -0.333  1.00  0.00           H  
HETATM   66  H   UNL     1       5.532   5.268   1.608  1.00  0.00           H  
HETATM   67  H   UNL     1       7.055   3.284  -1.509  1.00  0.00           H  
HETATM   68  H   UNL     1       6.558   5.695  -1.866  1.00  0.00           H  
HETATM   69  H   UNL     1       5.880   6.579  -0.478  1.00  0.00           H  
HETATM   70  H   UNL     1       7.982   6.208   0.785  1.00  0.00           H  
HETATM   71  H   UNL     1       8.660   5.325  -0.604  1.00  0.00           H  
HETATM   72  H   UNL     1       8.297   7.062  -0.745  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.843  -2.668  -0.958  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.399  -2.467  -1.305  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.744   1.863   0.644  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.578  -0.692  -1.203  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.336  -1.628  -1.261  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.287   3.730   1.242  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.588   4.606   1.250  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.993   3.973  -0.606  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.526   2.590   0.381  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.938   4.074   1.170  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3   11    2    4   40                                       
CONECT    4   11    3   10    5                                       
CONECT    5    4    6   41   42                                       
CONECT    6    5    7   43   44                                       
CONECT    7    9    6    8                                            
CONECT    8    7   45   46   47                                       
CONECT    9   10    7   48   49                                       
CONECT   10    4    9   50   51                                       
CONECT   11    3    4   52   53                                       
CONECT   12    2   13   54                                            
CONECT   13   12   24   14   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   14   16   58   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   19   64   65                                       
CONECT   19   21   20   18   22                                       
CONECT   20   19   66                                                 
CONECT   21   19   67                                                 
CONECT   22   19   23   68   69                                       
CONECT   23   22   70   71   72                                       
CONECT   24   25   13   28   28                                       
CONECT   25   24   26   73                                            
CONECT   26   25   27   27   74                                       
CONECT   27   26   26   28   29                                       
CONECT   28   24   24   27                                            
CONECT   29   27   34   34   30                                       
CONECT   30   29   31   31   75                                       
CONECT   31   30   30   32   35                                       
CONECT   32   33   33   31   38                                       
CONECT   33   34   32   32   76                                       
CONECT   34   29   29   33   77                                       
CONECT   35   31   36   36   78                                       
CONECT   36   35   35   37   79                                       
CONECT   37   38   38   36   39                                       
CONECT   38   32   37   37                                            
CONECT   39   37   80   81   82                                       
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   30                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
