COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -10.502   5.147  -0.350  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.941   4.053  -0.960  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.093   3.310  -0.285  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.521   2.235  -0.840  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.830   1.890  -2.160  1.00  0.00           C  
HETATM    6  N   UNL     1      -8.120   0.775  -2.461  1.00  0.00           N  
HETATM    7  C   UNL     1      -7.411   0.424  -1.427  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.627   1.297  -0.401  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.013   1.240   0.928  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.787   0.478   0.884  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.544   0.068   2.247  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.601  -1.136   2.279  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.292  -0.727   1.878  1.00  0.00           O  
HETATM   14  P   UNL     1      -2.043  -1.740   1.796  1.00  0.00           P  
HETATM   15  O   UNL     1      -1.871  -2.418   3.100  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.317  -2.838   0.651  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.706  -0.916   1.439  1.00  0.00           O  
HETATM   18  C   UNL     1       0.590  -1.516   1.397  1.00  0.00           C  
HETATM   19  C   UNL     1       1.569  -0.756   2.320  1.00  0.00           C  
HETATM   20  O   UNL     1       0.907   0.337   2.960  1.00  0.00           O  
HETATM   21  C   UNL     1       2.664  -0.239   1.361  1.00  0.00           C  
HETATM   22  C   UNL     1       4.036  -0.306   2.034  1.00  0.00           C  
HETATM   23  O   UNL     1       5.016   0.282   1.177  1.00  0.00           O  
HETATM   24  P   UNL     1       6.575   0.384   1.567  1.00  0.00           P  
HETATM   25  O   UNL     1       7.089  -0.964   1.900  1.00  0.00           O  
HETATM   26  O   UNL     1       6.748   1.354   2.840  1.00  0.00           O  
HETATM   27  O   UNL     1       7.402   0.981   0.321  1.00  0.00           O  
HETATM   28  P   UNL     1       8.955   0.959  -0.104  1.00  0.00           P  
HETATM   29  O   UNL     1       9.304  -0.457  -0.787  1.00  0.00           O  
HETATM   30  O   UNL     1       9.798   1.148   1.098  1.00  0.00           O  
HETATM   31  O   UNL     1       9.242   2.146  -1.152  1.00  0.00           O  
HETATM   32  P   UNL     1      10.579   2.848  -1.709  1.00  0.00           P  
HETATM   33  O   UNL     1      11.576   1.809  -2.051  1.00  0.00           O  
HETATM   34  O   UNL     1      10.227   3.706  -3.025  1.00  0.00           O  
HETATM   35  O   UNL     1      11.185   3.822  -0.580  1.00  0.00           O  
HETATM   36  O   UNL     1       2.615  -1.133   0.228  1.00  0.00           O  
HETATM   37  C   UNL     1       1.210  -1.369  -0.010  1.00  0.00           C  
HETATM   38  N   UNL     1       1.022  -2.600  -0.781  1.00  0.00           N  
HETATM   39  C   UNL     1       1.919  -3.622  -0.900  1.00  0.00           C  
HETATM   40  N   UNL     1       1.425  -4.556  -1.660  1.00  0.00           N  
HETATM   41  C   UNL     1       0.186  -4.191  -2.072  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.799  -4.795  -2.888  1.00  0.00           C  
HETATM   43  O   UNL     1      -0.604  -5.885  -3.398  1.00  0.00           O  
HETATM   44  N   UNL     1      -1.960  -4.135  -3.087  1.00  0.00           N  
HETATM   45  C   UNL     1      -2.167  -2.916  -2.511  1.00  0.00           C  
HETATM   46  N   UNL     1      -3.357  -2.269  -2.731  1.00  0.00           N  
HETATM   47  N   UNL     1      -1.260  -2.344  -1.752  1.00  0.00           N  
HETATM   48  C   UNL     1      -0.086  -2.938  -1.509  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.934  -0.323   2.795  1.00  0.00           C  
HETATM   50  O   UNL     1      -7.062   0.073   4.162  1.00  0.00           O  
HETATM   51  C   UNL     1      -7.924   0.468   1.909  1.00  0.00           C  
HETATM   52  O   UNL     1      -8.693   1.375   2.702  1.00  0.00           O  
HETATM   53  C   UNL     1      -9.744   2.697  -2.876  1.00  0.00           C  
HETATM   54  O   UNL     1     -10.042   2.434  -4.028  1.00  0.00           O  
HETATM   55  N   UNL     1     -10.285   3.765  -2.247  1.00  0.00           N  
HETATM   56  H   UNL     1     -11.133   5.702  -0.834  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.270   5.362   0.567  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.752  -0.431  -1.388  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.822   2.246   1.301  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.126   0.893   2.824  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.561  -1.541   3.290  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.967  -1.902   1.595  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.440  -2.464  -0.232  1.00  0.00           H  
HETATM   64  H   UNL     1       0.533  -2.567   1.681  1.00  0.00           H  
HETATM   65  H   UNL     1       1.997  -1.430   3.061  1.00  0.00           H  
HETATM   66  H   UNL     1       1.475   0.850   3.551  1.00  0.00           H  
HETATM   67  H   UNL     1       2.444   0.783   1.050  1.00  0.00           H  
HETATM   68  H   UNL     1       4.005   0.237   2.978  1.00  0.00           H  
HETATM   69  H   UNL     1       4.297  -1.348   2.223  1.00  0.00           H  
HETATM   70  H   UNL     1       6.431   2.256   2.694  1.00  0.00           H  
HETATM   71  H   UNL     1       8.788  -0.647  -1.582  1.00  0.00           H  
HETATM   72  H   UNL     1      10.988   4.158  -3.416  1.00  0.00           H  
HETATM   73  H   UNL     1      10.584   4.529  -0.307  1.00  0.00           H  
HETATM   74  H   UNL     1       0.766  -0.521  -0.533  1.00  0.00           H  
HETATM   75  H   UNL     1       2.893  -3.651  -0.435  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.651  -4.529  -3.643  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.036  -2.679  -3.290  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.519  -1.401  -2.329  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.098  -1.395   2.691  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.917  -0.148   4.557  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.578  -0.213   1.365  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.237   0.944   3.375  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.918   4.331  -2.716  1.00  0.00           H  
CONECT    1    2   56   57                                            
CONECT    2    3    3    1   55                                       
CONECT    3    2    2    4                                            
CONECT    4    3    8    5    5                                       
CONECT    5    4    4    6   53                                       
CONECT    6    7    7    5                                            
CONECT    7    8    6    6   58                                       
CONECT    8    9    4    7                                            
CONECT    9   10   51    8   59                                       
CONECT   10   11    9                                                 
CONECT   11   12   49   10   60                                       
CONECT   12   11   13   61   62                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   17                                       
CONECT   14   16                                                      
CONECT   15   14   14                                                 
CONECT   16   14   63                                                 
CONECT   17   14   18                                                 
CONECT   18   19   17   37   64                                       
CONECT   19   20   18   21   65                                       
CONECT   20   19   66                                                 
CONECT   21   19   22   36   67                                       
CONECT   22   23   21   68   69                                       
CONECT   23   24   22                                                 
CONECT   24   25   25   26   23                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   70                                                 
CONECT   27   24   28                                                 
CONECT   28   30   30   27   29                                       
CONECT   28   31                                                      
CONECT   29   28   71                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32                                                 
CONECT   32   33   33   31   35                                       
CONECT   32   34                                                      
CONECT   33   32   32                                                 
CONECT   34   32   72                                                 
CONECT   35   32   73                                                 
CONECT   36   37   21                                                 
CONECT   37   18   38   36   74                                       
CONECT   38   48   39   37                                            
CONECT   39   40   40   38   75                                       
CONECT   40   41   39   39                                            
CONECT   41   42   48   48   40                                       
CONECT   42   44   43   43   41                                       
CONECT   43   42   42                                                 
CONECT   44   45   42   76                                            
CONECT   45   46   44   47   47                                       
CONECT   46   45   77   78                                            
CONECT   47   45   45   48                                            
CONECT   48   47   41   41   38                                       
CONECT   49   50   11   51   79                                       
CONECT   50   49   80                                                 
CONECT   51   49    9   52   81                                       
CONECT   52   51   82                                                 
CONECT   53   55    5   54   54                                       
CONECT   54   53   53                                                 
CONECT   55    2   53   83                                            
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    7                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   26                                                      
CONECT   71   29                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   44                                                      
CONECT   77   46                                                      
CONECT   78   46                                                      
CONECT   79   49                                                      
CONECT   80   50                                                      
CONECT   81   51                                                      
CONECT   82   52                                                      
CONECT   83   55                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
