COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      12.501  -1.949   0.791  1.00  0.00           O  
HETATM    2  C   UNL     1      12.515  -1.102  -0.077  1.00  0.00           C  
HETATM    3  C   UNL     1      13.813  -0.729  -0.744  1.00  0.00           C  
HETATM    4  N   UNL     1      11.368  -0.499  -0.449  1.00  0.00           N  
HETATM    5  C   UNL     1      10.105  -0.866   0.196  1.00  0.00           C  
HETATM    6  C   UNL     1       8.967  -0.040  -0.405  1.00  0.00           C  
HETATM    7  C   UNL     1       7.647  -0.423   0.268  1.00  0.00           C  
HETATM    8  C   UNL     1       6.509   0.404  -0.333  1.00  0.00           C  
HETATM    9  C   UNL     1       5.189   0.020   0.340  1.00  0.00           C  
HETATM   10  C   UNL     1       4.051   0.847  -0.261  1.00  0.00           C  
HETATM   11  N   UNL     1       2.788   0.479   0.383  1.00  0.00           N  
HETATM   12  C   UNL     1       1.641   1.083   0.012  1.00  0.00           C  
HETATM   13  O   UNL     1       1.655   1.930  -0.856  1.00  0.00           O  
HETATM   14  C   UNL     1       0.342   0.705   0.675  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.797   1.531   0.074  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.060   1.164   0.718  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.207   1.767   0.347  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.181   2.679  -0.453  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.521   1.310   0.925  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.277   0.432   2.026  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.321   0.571  -0.148  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.710   1.549  -1.258  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.468  -0.555  -0.737  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.586  -0.022   0.476  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.334  -0.712  -0.528  1.00  0.00           O  
HETATM   26  P   UNL     1      -8.727  -1.460  -0.224  1.00  0.00           P  
HETATM   27  O   UNL     1      -9.351  -2.013  -1.601  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.467  -2.691   0.780  1.00  0.00           O  
HETATM   29  H   UNL     1      13.628   0.040  -1.495  1.00  0.00           H  
HETATM   30  H   UNL     1      14.509  -0.347   0.003  1.00  0.00           H  
HETATM   31  H   UNL     1      14.242  -1.609  -1.224  1.00  0.00           H  
HETATM   32  H   UNL     1      11.380   0.179  -1.143  1.00  0.00           H  
HETATM   33  H   UNL     1       9.909  -1.926   0.034  1.00  0.00           H  
HETATM   34  H   UNL     1      10.172  -0.669   1.266  1.00  0.00           H  
HETATM   35  H   UNL     1       9.162   1.020  -0.243  1.00  0.00           H  
HETATM   36  H   UNL     1       8.900  -0.237  -1.475  1.00  0.00           H  
HETATM   37  H   UNL     1       7.451  -1.483   0.106  1.00  0.00           H  
HETATM   38  H   UNL     1       7.714  -0.226   1.338  1.00  0.00           H  
HETATM   39  H   UNL     1       6.705   1.464  -0.171  1.00  0.00           H  
HETATM   40  H   UNL     1       6.442   0.206  -1.403  1.00  0.00           H  
HETATM   41  H   UNL     1       4.994  -1.040   0.178  1.00  0.00           H  
HETATM   42  H   UNL     1       5.256   0.217   1.410  1.00  0.00           H  
HETATM   43  H   UNL     1       4.247   1.906  -0.099  1.00  0.00           H  
HETATM   44  H   UNL     1       3.984   0.649  -1.331  1.00  0.00           H  
HETATM   45  H   UNL     1       2.776  -0.198   1.077  1.00  0.00           H  
HETATM   46  H   UNL     1       0.146  -0.355   0.513  1.00  0.00           H  
HETATM   47  H   UNL     1       0.409   0.902   1.745  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.601   2.591   0.236  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.864   1.334  -0.996  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.072   0.486   1.412  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.087   2.175   1.270  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.776  -0.362   1.793  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.810   1.912  -1.755  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.346   1.041  -1.984  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.252   2.391  -0.827  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.190  -1.252   0.054  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.038  -1.081  -1.502  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.566  -0.132  -1.181  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.309  -0.719   1.266  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.194   0.780   0.895  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.193  -2.476  -1.494  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.856  -3.357   0.437  1.00  0.00           H  
HETATM   63  O   UNL     1      -9.673  -0.507   0.398  1.00  0.00           O  
CONECT    1    2    2                                                 
CONECT    2    3    4    1    1                                       
CONECT    3    2   29   30   31                                       
CONECT    4    2    5   32                                            
CONECT    5    4    6   33   34                                       
CONECT    6    5    7   35   36                                       
CONECT    7    6    8   37   38                                       
CONECT    8    7    9   39   40                                       
CONECT    9    8   10   41   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11   10   12   45                                            
CONECT   12   13   13   11   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   46   47                                       
CONECT   15   14   16   48   49                                       
CONECT   16   15   17   50                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   21   20   51                                       
CONECT   20   19   52                                                 
CONECT   21   24   19   22   23                                       
CONECT   22   21   53   54   55                                       
CONECT   23   21   56   57   58                                       
CONECT   24   25   21   59   60                                       
CONECT   25   26   24                                                 
CONECT   26   27   28   25   63                                       
CONECT   26   63                                                      
CONECT   27   26   61                                                 
CONECT   28   26   62                                                 
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   26   26                                                 
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
