COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.757   4.398   0.730  1.00  0.00           C  
HETATM    2  C   UNL     1     -13.170   2.989   0.833  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.736   2.993   0.298  1.00  0.00           C  
HETATM    4  C   UNL     1     -15.190   4.393   1.264  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.707  -1.468  -0.927  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.369  -2.946  -0.715  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.923  -3.185  -1.064  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.543  -2.842  -0.670  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.649  -2.079   0.309  1.00  0.00           C  
HETATM   10  C   UNL     1       1.731  -1.735   0.702  1.00  0.00           C  
HETATM   11  C   UNL     1       3.178  -1.975   0.354  1.00  0.00           C  
HETATM   12  C   UNL     1       4.071  -1.212   1.333  1.00  0.00           C  
HETATM   13  C   UNL     1       6.451  -0.868   1.726  1.00  0.00           C  
HETATM   14  C   UNL     1       7.896  -1.196   1.449  1.00  0.00           C  
HETATM   15  C   UNL     1       8.340  -0.496   0.163  1.00  0.00           C  
HETATM   16  C   UNL     1       9.841  -0.711  -0.043  1.00  0.00           C  
HETATM   17  C   UNL     1       7.573  -1.081  -1.026  1.00  0.00           C  
HETATM   18  C   UNL     1       8.049   1.002   0.270  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.149   1.584   0.401  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.715   1.589  -0.133  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.128   0.180  -0.030  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.694   0.184  -0.565  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.116  -1.204  -0.463  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.949  -2.609  -0.332  1.00  0.00           N  
HETATM   25  N   UNL     1       0.757  -2.312  -0.030  1.00  0.00           N  
HETATM   26  N   UNL     1       5.477  -1.445   0.994  1.00  0.00           N  
HETATM   27  O   UNL     1      -7.782  -2.103  -0.010  1.00  0.00           O  
HETATM   28  O   UNL     1       8.970   3.970  -0.062  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.201  -3.749  -1.555  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.635  -3.897  -2.003  1.00  0.00           O  
HETATM   31  O   UNL     1       1.443  -1.024   1.641  1.00  0.00           O  
HETATM   32  O   UNL     1       6.165  -0.086   2.608  1.00  0.00           O  
HETATM   33  O   UNL     1       8.704  -0.746   2.539  1.00  0.00           O  
HETATM   34  O   UNL     1       8.464   1.655  -0.931  1.00  0.00           O  
HETATM   35  O   UNL     1       6.745   3.625  -1.204  1.00  0.00           O  
HETATM   36  P   UNL     1       8.307   3.240  -1.166  1.00  0.00           P  
HETATM   37  H   UNL     1     -13.152   5.088   1.318  1.00  0.00           H  
HETATM   38  H   UNL     1     -13.759   4.715  -0.313  1.00  0.00           H  
HETATM   39  H   UNL     1     -13.167   2.671   1.875  1.00  0.00           H  
HETATM   40  H   UNL     1     -13.774   2.299   0.244  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.738   3.311  -0.744  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.131   3.683   0.887  1.00  0.00           H  
HETATM   43  H   UNL     1     -15.795   3.704   0.675  1.00  0.00           H  
HETATM   44  H   UNL     1     -15.188   4.076   2.307  1.00  0.00           H  
HETATM   45  H   UNL     1     -15.609   5.397   1.191  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.014  -0.852  -0.354  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.621  -1.224  -1.986  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.541  -3.212   0.328  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.351  -2.493  -1.685  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.325  -3.908  -0.605  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.867  -1.012   0.244  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.841  -2.427   1.324  1.00  0.00           H  
HETATM   53  H   UNL     1       3.395  -3.041   0.419  1.00  0.00           H  
HETATM   54  H   UNL     1       3.369  -1.626  -0.661  1.00  0.00           H  
HETATM   55  H   UNL     1       3.854  -0.145   1.268  1.00  0.00           H  
HETATM   56  H   UNL     1       3.879  -1.560   2.348  1.00  0.00           H  
HETATM   57  H   UNL     1       8.009  -2.274   1.334  1.00  0.00           H  
HETATM   58  H   UNL     1      10.060  -1.779  -0.026  1.00  0.00           H  
HETATM   59  H   UNL     1      10.139  -0.294  -1.005  1.00  0.00           H  
HETATM   60  H   UNL     1      10.392  -0.214   0.756  1.00  0.00           H  
HETATM   61  H   UNL     1       6.515  -0.836  -0.931  1.00  0.00           H  
HETATM   62  H   UNL     1       7.962  -0.658  -1.952  1.00  0.00           H  
HETATM   63  H   UNL     1       7.696  -2.164  -1.040  1.00  0.00           H  
HETATM   64  H   UNL     1       6.980   1.155   0.417  1.00  0.00           H  
HETATM   65  H   UNL     1       8.595   1.418   1.117  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.147   1.267   1.444  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.754   0.895  -0.187  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.717   1.906  -1.176  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.110   2.279   0.455  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.126  -0.138   1.013  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.733  -0.510  -0.619  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.696   0.502  -1.607  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.089   0.874   0.024  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.179  -2.040   0.419  1.00  0.00           H  
HETATM   75  H   UNL     1       0.987  -2.881  -0.781  1.00  0.00           H  
HETATM   76  H   UNL     1       5.707  -2.014   0.243  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.101  -3.566  -2.499  1.00  0.00           H  
HETATM   78  H   UNL     1       8.653   0.206   2.700  1.00  0.00           H  
HETATM   79  H   UNL     1       6.247   3.183  -1.905  1.00  0.00           H  
HETATM   80  O   UNL     1       8.994   3.645  -2.566  1.00  0.00           O  
HETATM   81  H   UNL     1       8.937   4.588  -2.773  1.00  0.00           H  
CONECT    1    2    4   37   38                                       
CONECT    2    3    1   39   40                                       
CONECT    3   19    2   41   42                                       
CONECT    4    1   43   44   45                                       
CONECT    5    6   23   46   47                                       
CONECT    6    7   29    5   48                                       
CONECT    7   24   30   30    6                                       
CONECT    8    9   24   49   50                                       
CONECT    9   25    8   51   52                                       
CONECT   10   11   31   31   25                                       
CONECT   11   10   12   53   54                                       
CONECT   12   11   26   55   56                                       
CONECT   13   14   32   32   26                                       
CONECT   14   33   13   15   57                                       
CONECT   15   14   18   17   16                                       
CONECT   16   15   58   59   60                                       
CONECT   17   15   61   62   63                                       
CONECT   18   34   15   64   65                                       
CONECT   19   20    3   66   67                                       
CONECT   20   21   19   68   69                                       
CONECT   21   22   20   70   71                                       
CONECT   22   23   21   72   73                                       
CONECT   23   27   27    5   22                                       
CONECT   24    8    7   74                                            
CONECT   25   10    9   75                                            
CONECT   26   13   12   76                                            
CONECT   27   23   23                                                 
CONECT   28   36   36                                                 
CONECT   29    6   77                                                 
CONECT   30    7    7                                                 
CONECT   31   10   10                                                 
CONECT   32   13   13                                                 
CONECT   33   14   78                                                 
CONECT   34   36   18                                                 
CONECT   35   36   79                                                 
CONECT   36   28   28   35   34                                       
CONECT   36   80                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   29                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   36   81                                                 
CONECT   81   80                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
