COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.264  -2.346   1.314  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.485  -1.433   1.139  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.345  -1.615   0.432  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.075  -2.905  -0.208  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.943  -2.700  -1.643  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.722  -4.021  -2.408  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.274  -4.410  -2.283  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.022  -5.378  -1.111  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.810  -4.999   0.157  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.805  -3.517   0.417  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.424  -0.566   0.316  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.761  -0.062   1.695  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.256   0.983   0.691  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.007   0.794  -0.633  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.479   0.657  -0.407  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.019   0.366   0.733  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.235   0.146   1.991  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.796   0.672   0.426  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.812   1.762   0.288  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.222   3.094   0.408  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.305   4.115   0.281  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.472   1.466   0.044  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.549   2.498  -0.084  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.971   3.828   0.032  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.072   4.838  -0.093  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.572   6.171   0.036  1.00  0.00           C  
HETATM   27  C   UNL     1       0.878   2.191  -0.343  1.00  0.00           C  
HETATM   28  C   UNL     1       1.554   2.840  -1.377  1.00  0.00           C  
HETATM   29  C   UNL     1       2.879   2.556  -1.619  1.00  0.00           C  
HETATM   30  C   UNL     1       3.547   1.617  -0.828  1.00  0.00           C  
HETATM   31  C   UNL     1       2.869   0.969   0.208  1.00  0.00           C  
HETATM   32  C   UNL     1       1.546   1.258   0.451  1.00  0.00           C  
HETATM   33  C   UNL     1       4.968   1.311  -1.087  1.00  0.00           C  
HETATM   34  O   UNL     1       5.557   1.875  -1.988  1.00  0.00           O  
HETATM   35  N   UNL     1       5.612   0.406  -0.323  1.00  0.00           N  
HETATM   36  C   UNL     1       7.022   0.102  -0.580  1.00  0.00           C  
HETATM   37  C   UNL     1       7.500  -0.934   0.405  1.00  0.00           C  
HETATM   38  O   UNL     1       6.738  -1.375   1.239  1.00  0.00           O  
HETATM   39  N   UNL     1       8.774  -1.370   0.359  1.00  0.00           N  
HETATM   40  C   UNL     1       9.239  -2.377   1.316  1.00  0.00           C  
HETATM   41  C   UNL     1      10.711  -2.695   1.048  1.00  0.00           C  
HETATM   42  O   UNL     1      11.504  -1.534   1.306  1.00  0.00           O  
HETATM   43  H   UNL     1      -4.915  -3.574  -0.023  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.849  -2.224  -2.016  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.349  -4.802  -1.978  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.955  -4.887  -3.210  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.679  -3.509  -2.128  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.312  -6.383  -1.418  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.958  -5.376  -0.876  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.842  -5.333   0.045  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.366  -5.508   1.013  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.921  -3.069  -0.037  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.801  -3.334   1.492  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.209   0.054   2.628  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.377   1.993   1.083  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.823   1.656  -1.274  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.637  -0.104  -1.128  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.136   0.811  -1.250  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.094   0.277   0.780  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.623  -0.734   2.505  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.349   1.015   2.639  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.260   3.323   0.602  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.627   5.141   0.374  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.151   0.438  -0.044  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.325   6.352  -0.730  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.019   6.297   1.022  1.00  0.00           H  
HETATM   67  H   UNL     1       0.248   6.879  -0.084  1.00  0.00           H  
HETATM   68  H   UNL     1       1.037   3.565  -1.989  1.00  0.00           H  
HETATM   69  H   UNL     1       3.402   3.057  -2.420  1.00  0.00           H  
HETATM   70  H   UNL     1       3.385   0.243   0.820  1.00  0.00           H  
HETATM   71  H   UNL     1       1.023   0.760   1.254  1.00  0.00           H  
HETATM   72  H   UNL     1       5.142  -0.044   0.396  1.00  0.00           H  
HETATM   73  H   UNL     1       7.132  -0.283  -1.594  1.00  0.00           H  
HETATM   74  H   UNL     1       7.615   1.010  -0.469  1.00  0.00           H  
HETATM   75  H   UNL     1       9.384  -1.018  -0.308  1.00  0.00           H  
HETATM   76  H   UNL     1       9.129  -1.992   2.330  1.00  0.00           H  
HETATM   77  H   UNL     1       8.646  -3.285   1.206  1.00  0.00           H  
HETATM   78  H   UNL     1      11.033  -3.506   1.701  1.00  0.00           H  
HETATM   79  H   UNL     1      10.835  -2.995   0.008  1.00  0.00           H  
HETATM   80  H   UNL     1      12.450  -1.662   1.157  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.097  -2.039  -1.829  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.978  -3.883  -3.458  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   12    3                                       
CONECT    3    2    4   11                                            
CONECT    4   10    3    5   43                                       
CONECT    5    4    6   44   81                                       
CONECT    6    7    5   45   82                                       
CONECT    7    8    6   46   47                                       
CONECT    8    9    7   48   49                                       
CONECT    9   10    8   50   51                                       
CONECT   10    9    4   52   53                                       
CONECT   11    3   18   18                                            
CONECT   12    2   17   13   54                                       
CONECT   13   12   18   14   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   16   16   14   58                                       
CONECT   16   17   15   15   59                                       
CONECT   17   12   16   60   61                                       
CONECT   18   11   11   13   19                                       
CONECT   19   18   22   22   20                                       
CONECT   20   19   21   21   62                                       
CONECT   21   20   20   24   63                                       
CONECT   22   19   19   23   64                                       
CONECT   23   22   27   24   24                                       
CONECT   24   23   23   21   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   65   66   67                                       
CONECT   27   28   23   32   32                                       
CONECT   28   29   29   27   68                                       
CONECT   29   28   28   30   69                                       
CONECT   30   29   33   31   31                                       
CONECT   31   30   30   32   70                                       
CONECT   32   27   27   31   71                                       
CONECT   33   35   34   34   30                                       
CONECT   34   33   33                                                 
CONECT   35   36   33   72                                            
CONECT   36   35   37   73   74                                       
CONECT   37   36   39   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   40   37   75                                            
CONECT   40   41   39   76   77                                       
CONECT   41   40   42   78   79                                       
CONECT   42   41   80                                                 
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81    5                                                      
CONECT   82    6                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
