COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.709   0.573  -4.368  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.545  -0.680  -3.618  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.964  -0.380  -2.261  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.711   0.764  -1.948  1.00  0.00           O  
HETATM    5  N   UNL     1      -6.725  -1.384  -1.394  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.163  -1.235  -0.043  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.800  -0.597  -0.123  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.335  -0.293  -1.202  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.046  -2.649   0.563  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.019  -3.563  -0.689  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.990  -2.813  -1.640  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.098  -0.364   1.003  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.773   0.257   0.926  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.658   1.350   1.990  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.636   2.454   1.683  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.877   2.468   2.292  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.774   3.481   2.010  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.430   4.481   1.120  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.189   4.468   0.511  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.290   3.457   0.796  1.00  0.00           C  
HETATM   21  P   UNL     1      -1.492  -1.008   1.213  1.00  0.00           P  
HETATM   22  O   UNL     1      -1.758  -1.729   2.628  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.541  -2.015   0.130  1.00  0.00           O  
HETATM   24  C   UNL     1       0.150  -0.217   1.234  1.00  0.00           C  
HETATM   25  C   UNL     1       1.233  -1.292   1.350  1.00  0.00           C  
HETATM   26  C   UNL     1       2.590  -0.637   1.367  1.00  0.00           C  
HETATM   27  O   UNL     1       2.682   0.570   1.293  1.00  0.00           O  
HETATM   28  N   UNL     1       3.702  -1.393   1.464  1.00  0.00           N  
HETATM   29  C   UNL     1       5.082  -0.888   1.491  1.00  0.00           C  
HETATM   30  C   UNL     1       5.371  -0.118   0.229  1.00  0.00           C  
HETATM   31  O   UNL     1       4.511   0.003  -0.618  1.00  0.00           O  
HETATM   32  C   UNL     1       6.016  -2.113   1.584  1.00  0.00           C  
HETATM   33  C   UNL     1       5.135  -3.265   1.034  1.00  0.00           C  
HETATM   34  C   UNL     1       3.734  -2.864   1.566  1.00  0.00           C  
HETATM   35  N   UNL     1       6.585   0.437   0.041  1.00  0.00           N  
HETATM   36  CA  UNL     1       6.866   1.186  -1.186  1.00  0.00           C  
HETATM   37  C   UNL     1       6.399   2.610  -1.024  1.00  0.00           C  
HETATM   38  O   UNL     1       5.885   2.963   0.011  1.00  0.00           O  
HETATM   39  C   UNL     1       8.371   1.171  -1.460  1.00  0.00           C  
HETATM   40  C   UNL     1       8.822  -0.262  -1.748  1.00  0.00           C  
HETATM   41  C   UNL     1      10.327  -0.278  -2.022  1.00  0.00           C  
HETATM   42  C   UNL     1      10.778  -1.711  -2.310  1.00  0.00           C  
HETATM   43  OXT UNL     1       6.555   3.486  -2.029  1.00  0.00           O  
HETATM   44  H   UNL     1      -8.098   0.399  -5.283  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.276   1.230  -3.854  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.516  -1.162  -3.500  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.874  -1.344  -4.163  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.824  -0.620   0.567  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.122  -2.748   1.133  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.911  -2.873   1.187  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.016  -3.618  -1.113  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.397  -4.559  -0.455  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.024  -3.055  -1.397  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.773  -3.066  -2.678  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.470  -0.607   1.865  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.635   0.696  -0.062  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.883   0.928   2.970  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.645   1.751   1.991  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.146   1.687   2.988  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.744   3.492   2.486  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.131   5.273   0.899  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.921   5.248  -0.186  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.319   3.448   0.323  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.740  -1.128   3.385  1.00  0.00           H  
HETATM   65  H   UNL     1       0.294   0.345   0.311  1.00  0.00           H  
HETATM   66  H   UNL     1       0.217   0.460   2.086  1.00  0.00           H  
HETATM   67  H   UNL     1       1.089  -1.854   2.273  1.00  0.00           H  
HETATM   68  H   UNL     1       1.166  -1.968   0.498  1.00  0.00           H  
HETATM   69  H   UNL     1       5.224  -0.244   2.359  1.00  0.00           H  
HETATM   70  H   UNL     1       6.900  -1.972   0.961  1.00  0.00           H  
HETATM   71  H   UNL     1       6.299  -2.305   2.619  1.00  0.00           H  
HETATM   72  H   UNL     1       5.152  -3.284  -0.056  1.00  0.00           H  
HETATM   73  H   UNL     1       5.446  -4.226   1.444  1.00  0.00           H  
HETATM   74  H   UNL     1       3.617  -3.174   2.604  1.00  0.00           H  
HETATM   75  H   UNL     1       2.953  -3.305   0.947  1.00  0.00           H  
HETATM   76  H   UNL     1       7.272   0.341   0.718  1.00  0.00           H  
HETATM   77  HA  UNL     1       6.340   0.725  -2.022  1.00  0.00           H  
HETATM   78  H   UNL     1       8.590   1.801  -2.322  1.00  0.00           H  
HETATM   79  H   UNL     1       8.903   1.551  -0.588  1.00  0.00           H  
HETATM   80  H   UNL     1       8.603  -0.892  -0.886  1.00  0.00           H  
HETATM   81  H   UNL     1       8.290  -0.642  -2.621  1.00  0.00           H  
HETATM   82  H   UNL     1      10.546   0.352  -2.884  1.00  0.00           H  
HETATM   83  H   UNL     1      10.859   0.102  -1.150  1.00  0.00           H  
HETATM   84  H   UNL     1      11.851  -1.722  -2.505  1.00  0.00           H  
HETATM   85  H   UNL     1      10.559  -2.341  -1.448  1.00  0.00           H  
HETATM   86  H   UNL     1      10.247  -2.091  -3.182  1.00  0.00           H  
HETATM   87  HXT UNL     1       6.240   4.388  -1.878  1.00  0.00           H  
CONECT    1    2   44   45                                            
CONECT    2    1    3   46   47                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    6   11    3                                            
CONECT    6    5    7    9   48                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   49   50                                       
CONECT   10    9   11   51   52                                       
CONECT   11    5   10   53   54                                       
CONECT   12   55   13    7                                            
CONECT   13   12   14   56   21                                       
CONECT   14   13   15   57   58                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   59                                       
CONECT   17   16   18   18   60                                       
CONECT   18   17   17   61   19                                       
CONECT   19   18   62   20   20                                       
CONECT   20   15   19   19   63                                       
CONECT   21   13   22   23   23                                       
CONECT   21   24                                                      
CONECT   22   21   64                                                 
CONECT   23   21   21                                                 
CONECT   24   21   65   66   25                                       
CONECT   25   24   26   67   68                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   29   34   26                                            
CONECT   29   28   30   32   69                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   70   71                                       
CONECT   33   32   34   72   73                                       
CONECT   34   28   33   74   75                                       
CONECT   35   36   76   30                                            
CONECT   36   35   37   39   77                                       
CONECT   37   36   38   38   43                                       
CONECT   38   37   37                                                 
CONECT   39   36   40   78   79                                       
CONECT   40   39   41   80   81                                       
CONECT   41   40   42   82   83                                       
CONECT   42   41   84   85   86                                       
CONECT   43   37   87                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   29                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
