COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.466  -1.053   0.221  1.00  0.00           N  
HETATM    2  C   UNL     1       6.090  -2.024   0.911  1.00  0.00           C  
HETATM    3  N   UNL     1       6.631  -3.083   0.280  1.00  0.00           N  
HETATM    4  C   UNL     1       6.555  -3.186  -1.062  1.00  0.00           C  
HETATM    5  C   UNL     1       5.900  -2.171  -1.801  1.00  0.00           C  
HETATM    6  C   UNL     1       5.367  -1.120  -1.142  1.00  0.00           C  
HETATM    7  O   UNL     1       6.167  -1.945   2.122  1.00  0.00           O  
HETATM    8  O   UNL     1       7.045  -4.143  -1.634  1.00  0.00           O  
HETATM    9  C   UNL     1       4.881   0.085   0.936  1.00  0.00           C  
HETATM   10  C   UNL     1       5.612   1.399   0.561  1.00  0.00           C  
HETATM   11  O   UNL     1       6.761   1.597   1.386  1.00  0.00           O  
HETATM   12  C   UNL     1       4.530   2.467   0.854  1.00  0.00           C  
HETATM   13  C   UNL     1       3.206   1.679   0.828  1.00  0.00           C  
HETATM   14  O   UNL     1       3.525   0.317   0.500  1.00  0.00           O  
HETATM   15  O   UNL     1       4.740   3.051   2.141  1.00  0.00           O  
HETATM   16  C   UNL     1       2.272   2.266  -0.233  1.00  0.00           C  
HETATM   17  O   UNL     1       1.006   1.606  -0.170  1.00  0.00           O  
HETATM   18  P   UNL     1      -0.221   1.970  -1.146  1.00  0.00           P  
HETATM   19  O   UNL     1      -0.516   3.418  -1.049  1.00  0.00           O  
HETATM   20  O   UNL     1       0.172   1.604  -2.663  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.522   1.128  -0.710  1.00  0.00           O  
HETATM   22  P   UNL     1      -3.092   1.239  -1.048  1.00  0.00           P  
HETATM   23  O   UNL     1      -3.493   2.663  -1.065  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.378   0.584  -2.491  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.940   0.456   0.074  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.368   0.457   0.113  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.840   0.319   1.563  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.361  -1.025   2.121  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.888  -2.152   1.229  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.415  -1.919  -0.208  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.986  -3.009  -1.117  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.295   1.383   2.346  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.859  -1.194   3.450  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.388  -3.406   1.699  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.867  -0.639  -0.655  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.452  -2.859  -2.434  1.00  0.00           O  
HETATM   37  H   UNL     1       7.078  -3.774   0.793  1.00  0.00           H  
HETATM   38  H   UNL     1       5.830  -2.236  -2.876  1.00  0.00           H  
HETATM   39  H   UNL     1       4.864  -0.336  -1.689  1.00  0.00           H  
HETATM   40  H   UNL     1       4.918  -0.081   2.013  1.00  0.00           H  
HETATM   41  H   UNL     1       5.887   1.403  -0.494  1.00  0.00           H  
HETATM   42  H   UNL     1       7.252   2.407   1.189  1.00  0.00           H  
HETATM   43  H   UNL     1       4.532   3.235   0.081  1.00  0.00           H  
HETATM   44  H   UNL     1       2.730   1.722   1.808  1.00  0.00           H  
HETATM   45  H   UNL     1       5.586   3.510   2.232  1.00  0.00           H  
HETATM   46  H   UNL     1       2.136   3.331  -0.048  1.00  0.00           H  
HETATM   47  H   UNL     1       2.709   2.121  -1.221  1.00  0.00           H  
HETATM   48  H   UNL     1       0.378   0.669  -2.801  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.138  -0.351  -2.553  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.742   1.393  -0.303  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.929   0.361   1.597  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.272  -1.047   2.133  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.978  -2.160   1.257  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.326  -1.952  -0.242  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.715  -3.989  -0.724  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.072  -2.919  -1.153  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.553   2.265   2.045  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.570  -0.510   4.069  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.646  -3.617   2.606  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.772  -3.518  -3.066  1.00  0.00           H  
CONECT    1    2    6    9                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4   37                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    6   38                                       
CONECT    6    1    5    5   39                                       
CONECT    7    2    2                                                 
CONECT    8    4    4                                                 
CONECT    9    1   10   14   40                                       
CONECT   10    9   11   12   41                                       
CONECT   11   10   42                                                 
CONECT   12   10   13   15   43                                       
CONECT   13   12   14   16   44                                       
CONECT   14    9   13                                                 
CONECT   15   12   45                                                 
CONECT   16   13   17   46   47                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   48                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   22   25                                                      
CONECT   23   22   22                                                 
CONECT   24   22   49                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   35   50                                       
CONECT   27   26   28   32   51                                       
CONECT   28   27   29   33   52                                       
CONECT   29   28   30   34   53                                       
CONECT   30   29   31   35   54                                       
CONECT   31   30   36   55   56                                       
CONECT   32   27   57                                                 
CONECT   33   28   58                                                 
CONECT   34   29   59                                                 
CONECT   35   26   30                                                 
CONECT   36   31   60                                                 
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   20                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   36                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
