COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.668  -0.647   0.404  1.00  0.00           C  
HETATM    2  O   UNL     1       6.519  -1.813   0.712  1.00  0.00           O  
HETATM    3  O   UNL     1       7.900  -0.172   0.140  1.00  0.00           O  
HETATM    4  C   UNL     1       9.004  -1.110   0.244  1.00  0.00           C  
HETATM    5  C   UNL     1      10.294  -0.405  -0.084  1.00  0.00           C  
HETATM    6  C   UNL     1      11.022   0.207   0.919  1.00  0.00           C  
HETATM    7  C   UNL     1      12.206   0.854   0.618  1.00  0.00           C  
HETATM    8  C   UNL     1      12.662   0.889  -0.686  1.00  0.00           C  
HETATM    9  C   UNL     1      11.935   0.277  -1.689  1.00  0.00           C  
HETATM   10  C   UNL     1      10.753  -0.374  -1.388  1.00  0.00           C  
HETATM   11  N   UNL     1       5.599   0.169   0.320  1.00  0.00           N  
HETATM   12  C   UNL     1       4.258  -0.349   0.601  1.00  0.00           C  
HETATM   13  C   UNL     1       3.234   0.493  -0.117  1.00  0.00           C  
HETATM   14  O   UNL     1       3.589   1.432  -0.796  1.00  0.00           O  
HETATM   15  C   UNL     1       3.996  -0.296   2.108  1.00  0.00           C  
HETATM   16  N   UNL     1       1.923   0.201  -0.004  1.00  0.00           N  
HETATM   17  C   UNL     1       0.927   1.018  -0.701  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.394   0.923   0.017  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.495   0.238   1.013  1.00  0.00           O  
HETATM   20  C   UNL     1       0.766   0.512  -2.136  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.749   1.504   0.250  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.360   2.900   0.382  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.702   2.803   1.111  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.469   2.325   2.546  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.371   4.178   1.134  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.464   1.597  -0.448  1.00  0.00           N  
HETATM   27  P   UNL     1      -3.879   0.433  -0.698  1.00  0.00           P  
HETATM   28  O   UNL     1      -4.186   1.069  -1.999  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.181  -0.995  -0.951  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.371  -0.481  -0.390  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.683  -1.680   0.509  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.539  -2.660   0.454  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.494  -2.553   1.352  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.539  -3.669  -0.491  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.445  -3.452   1.301  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.490  -4.568  -0.541  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.441  -4.458   0.353  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.564   0.439  -0.432  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.822   0.960  -0.986  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.243   0.224   0.131  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.715   0.021  -0.981  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.484   1.553   0.029  1.00  0.00           O  
HETATM   43  H   UNL     1       9.052  -1.503   1.260  1.00  0.00           H  
HETATM   44  H   UNL     1       8.850  -1.931  -0.456  1.00  0.00           H  
HETATM   45  H   UNL     1      10.666   0.179   1.939  1.00  0.00           H  
HETATM   46  H   UNL     1      12.774   1.332   1.402  1.00  0.00           H  
HETATM   47  H   UNL     1      13.587   1.395  -0.921  1.00  0.00           H  
HETATM   48  H   UNL     1      12.291   0.304  -2.708  1.00  0.00           H  
HETATM   49  H   UNL     1      10.187  -0.856  -2.171  1.00  0.00           H  
HETATM   50  H   UNL     1       5.718   1.100   0.074  1.00  0.00           H  
HETATM   51  H   UNL     1       4.187  -1.380   0.256  1.00  0.00           H  
HETATM   52  H   UNL     1       2.998  -0.681   2.316  1.00  0.00           H  
HETATM   53  H   UNL     1       4.736  -0.904   2.626  1.00  0.00           H  
HETATM   54  H   UNL     1       4.067   0.736   2.453  1.00  0.00           H  
HETATM   55  H   UNL     1       1.638  -0.551   0.540  1.00  0.00           H  
HETATM   56  H   UNL     1       1.257   2.057  -0.717  1.00  0.00           H  
HETATM   57  H   UNL     1       0.436  -0.527  -2.120  1.00  0.00           H  
HETATM   58  H   UNL     1       0.026   1.120  -2.655  1.00  0.00           H  
HETATM   59  H   UNL     1       1.722   0.581  -2.655  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.593   1.079   1.242  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.684   3.540   0.949  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.516   3.324  -0.610  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.346   2.093   0.592  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.425   2.255   3.065  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.992   1.345   2.530  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.824   3.034   3.065  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.537   4.519   0.112  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.327   4.109   1.653  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.726   4.887   1.653  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.384   2.144  -1.245  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.951  -1.470  -0.140  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.147  -0.832  -1.397  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.820  -1.339   1.535  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.595  -2.166   0.163  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.496  -1.767   2.092  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.358  -3.756  -1.189  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.627  -3.368   2.002  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.490  -5.357  -1.279  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.622  -5.160   0.314  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.070   1.236   0.039  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.539   1.852  -1.544  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.689   0.497  -1.458  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   43   44                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   45                                       
CONECT    7    6    8    8   46                                       
CONECT    8    7    7    9   47                                       
CONECT    9    8   10   10   48                                       
CONECT   10    5    9    9   49                                       
CONECT   11   12   50    1                                            
CONECT   12   11   13   15   51                                       
CONECT   13   12   14   14   16                                       
CONECT   14   13   13                                                 
CONECT   15   12   52   53   54                                       
CONECT   16   17   55   13                                            
CONECT   17   16   18   20   56                                       
CONECT   18   17   19   19   26                                       
CONECT   19   18   18                                                 
CONECT   20   17   57   58   59                                       
CONECT   21   22   26   27   60                                       
CONECT   22   21   23   61   62                                       
CONECT   23   22   24   25   63                                       
CONECT   24   23   64   65   66                                       
CONECT   25   23   67   68   69                                       
CONECT   26   21   70   18                                            
CONECT   27   21   28   28   29                                       
CONECT   27   40                                                      
CONECT   28   27   27                                                 
CONECT   29   27   71                                                 
CONECT   30   31   38   40   72                                       
CONECT   31   30   32   73   74                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32   35   75                                       
CONECT   34   32   36   36   76                                       
CONECT   35   33   37   37   77                                       
CONECT   36   34   34   37   78                                       
CONECT   37   35   35   36   79                                       
CONECT   38   30   41   42   42                                       
CONECT   39   41   80   81   82                                       
CONECT   40   30   27                                                 
CONECT   41   38   39                                                 
CONECT   42   38   38                                                 
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
