COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -11.496  -0.158   1.066  1.00  0.00           O  
HETATM    2  C   UNL     1     -10.298  -0.334   0.962  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.692  -1.531   0.958  1.00  0.00           N  
HETATM    4  C   UNL     1     -10.309  -2.861   0.897  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.626  -3.634  -0.241  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.108  -3.572  -0.068  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.619  -2.123  -0.157  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.229  -1.325   0.999  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.020   0.143   0.831  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.300   0.730   0.816  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.454   2.112   0.679  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.296   2.865   0.549  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.044   2.286   0.552  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.873   0.905   0.701  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.601   0.321   0.702  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.615   0.850  -0.050  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.811   1.874  -0.676  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.413   0.243  -0.109  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.362   0.845  -0.799  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.099   0.270  -0.763  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.580   1.958  -1.484  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.617   2.565  -2.153  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.334   2.061  -2.164  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.057   0.885  -1.458  1.00  0.00           C  
HETATM   25  C   UNL     1       1.310   0.310  -1.445  1.00  0.00           C  
HETATM   26  C   UNL     1       2.436   0.858  -1.988  1.00  0.00           C  
HETATM   27  N   UNL     1       1.691  -0.855  -0.890  1.00  0.00           N  
HETATM   28  N   UNL     1       2.953  -1.012  -1.083  1.00  0.00           N  
HETATM   29  N   UNL     1       3.437  -0.014  -1.734  1.00  0.00           N  
HETATM   30  C   UNL     1       4.838   0.152  -2.130  1.00  0.00           C  
HETATM   31  C   UNL     1       5.734   0.038  -0.895  1.00  0.00           C  
HETATM   32  N   UNL     1       7.138   0.205  -1.292  1.00  0.00           N  
HETATM   33  C   UNL     1       7.987  -0.005  -0.216  1.00  0.00           C  
HETATM   34  C   UNL     1       8.566  -1.252   0.002  1.00  0.00           C  
HETATM   35  C   UNL     1       8.232  -2.353  -0.969  1.00  0.00           C  
HETATM   36  C   UNL     1       9.244  -3.492  -0.858  1.00  0.00           C  
HETATM   37  C   UNL     1       9.363  -3.888   0.618  1.00  0.00           C  
HETATM   38  C   UNL     1      10.073  -2.762   1.365  1.00  0.00           C  
HETATM   39  C   UNL     1       9.410  -1.436   1.082  1.00  0.00           C  
HETATM   40  N   UNL     1       9.672  -0.445   1.918  1.00  0.00           N  
HETATM   41  C   UNL     1       9.152   0.775   1.771  1.00  0.00           C  
HETATM   42  C   UNL     1       8.288   1.043   0.682  1.00  0.00           C  
HETATM   43  C   UNL     1       7.744   2.325   0.525  1.00  0.00           C  
HETATM   44  C   UNL     1       8.053   3.302   1.424  1.00  0.00           C  
HETATM   45  C   UNL     1       8.902   3.042   2.496  1.00  0.00           C  
HETATM   46  C   UNL     1       9.451   1.809   2.675  1.00  0.00           C  
HETATM   47  H   UNL     1     -10.159  -3.383   1.842  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.375  -2.766   0.692  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.951  -4.674  -0.219  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.899  -3.189  -1.198  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.839  -3.983   0.905  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.631  -4.162  -0.850  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.532  -2.099  -0.085  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.934  -1.689  -1.107  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.824  -1.669   1.951  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.431   2.573   0.675  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.378   3.937   0.442  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.174   2.916   0.444  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.428  -0.464   1.245  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.280  -0.612   0.328  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.926  -0.639  -0.206  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.838   3.470  -2.699  1.00  0.00           H  
HETATM   63  H   UNL     1       0.446   2.565  -2.714  1.00  0.00           H  
HETATM   64  H   UNL     1       2.512   1.798  -2.515  1.00  0.00           H  
HETATM   65  H   UNL     1       5.107  -0.623  -2.847  1.00  0.00           H  
HETATM   66  H   UNL     1       4.972   1.133  -2.587  1.00  0.00           H  
HETATM   67  H   UNL     1       5.464   0.814  -0.178  1.00  0.00           H  
HETATM   68  H   UNL     1       5.599  -0.942  -0.438  1.00  0.00           H  
HETATM   69  H   UNL     1       7.293   1.113  -1.702  1.00  0.00           H  
HETATM   70  H   UNL     1       7.235  -2.735  -0.750  1.00  0.00           H  
HETATM   71  H   UNL     1       8.249  -1.955  -1.984  1.00  0.00           H  
HETATM   72  H   UNL     1       8.901  -4.347  -1.441  1.00  0.00           H  
HETATM   73  H   UNL     1      10.214  -3.160  -1.229  1.00  0.00           H  
HETATM   74  H   UNL     1       8.368  -4.036   1.039  1.00  0.00           H  
HETATM   75  H   UNL     1       9.938  -4.810   0.706  1.00  0.00           H  
HETATM   76  H   UNL     1      10.036  -2.961   2.436  1.00  0.00           H  
HETATM   77  H   UNL     1      11.114  -2.719   1.044  1.00  0.00           H  
HETATM   78  H   UNL     1       7.085   2.537  -0.303  1.00  0.00           H  
HETATM   79  H   UNL     1       7.634   4.290   1.302  1.00  0.00           H  
HETATM   80  H   UNL     1       9.132   3.832   3.195  1.00  0.00           H  
HETATM   81  H   UNL     1      10.107   1.624   3.512  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   10                                       
CONECT    3    4    8    2                                            
CONECT    4    5    3   47   48                                       
CONECT    5    6    4   49   50                                       
CONECT    6    5    7   51   52                                       
CONECT    7    6    8   53   54                                       
CONECT    8    7    3    9   55                                       
CONECT    9    8   14   14   10                                       
CONECT   10    2    9   11   11                                       
CONECT   11   10   10   12   56                                       
CONECT   12   13   13   11   57                                       
CONECT   13   14   12   12   58                                       
CONECT   14   15    9    9   13                                       
CONECT   15   16   14   59                                            
CONECT   16   18   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   60                                            
CONECT   19   21   18   20   20                                       
CONECT   20   19   19   24   61                                       
CONECT   21   22   22   19                                            
CONECT   22   21   21   23   62                                       
CONECT   23   22   24   24   63                                       
CONECT   24   23   23   20   25                                       
CONECT   25   24   27   26   26                                       
CONECT   26   25   25   29   64                                       
CONECT   27   25   28   28                                            
CONECT   28   27   27   29                                            
CONECT   29   26   28   30                                            
CONECT   30   29   31   65   66                                       
CONECT   31   30   32   67   68                                       
CONECT   32   33   31   69                                            
CONECT   33   42   42   34   32                                       
CONECT   34   39   39   33   35                                       
CONECT   35   34   36   70   71                                       
CONECT   36   37   35   72   73                                       
CONECT   37   38   36   74   75                                       
CONECT   38   39   37   76   77                                       
CONECT   39   40   38   34   34                                       
CONECT   40   41   41   39                                            
CONECT   41   46   40   40   42                                       
CONECT   42   41   43   33   33                                       
CONECT   43   44   44   42   78                                       
CONECT   44   45   43   43   79                                       
CONECT   45   46   46   44   80                                       
CONECT   46   45   45   41   81                                       
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   26                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
CONECT   81   46                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
