COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.846  -4.730   0.193  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.134  -4.487   1.143  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.692  -5.600   2.059  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.732  -3.222   1.378  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.156  -2.141   0.485  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.121  -0.809   1.241  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.058  -0.846   2.319  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.205  -2.064  -0.713  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.279  -3.369  -1.508  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.586  -0.973  -1.553  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.527   0.304  -0.913  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.490   0.323   0.276  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.388   1.609   0.969  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.106   2.666   0.538  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.000   3.989   1.251  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.836   2.551  -0.423  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.196   0.545  -0.452  1.00  0.00           O  
HETATM   18  P   UNL     1      -2.075   1.270  -1.351  1.00  0.00           P  
HETATM   19  O   UNL     1      -1.730   0.350  -2.626  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.584   2.581  -1.812  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.743   1.491  -0.473  1.00  0.00           O  
HETATM   22  P   UNL     1       0.532   2.465  -0.601  1.00  0.00           P  
HETATM   23  O   UNL     1       0.937   2.564  -2.021  1.00  0.00           O  
HETATM   24  O   UNL     1       0.148   3.928  -0.049  1.00  0.00           O  
HETATM   25  O   UNL     1       1.752   1.869   0.264  1.00  0.00           O  
HETATM   26  C   UNL     1       3.058   2.449   0.272  1.00  0.00           C  
HETATM   27  C   UNL     1       3.971   1.639   1.194  1.00  0.00           C  
HETATM   28  C   UNL     1       5.351   2.317   1.293  1.00  0.00           C  
HETATM   29  O   UNL     1       5.636   2.675   2.647  1.00  0.00           O  
HETATM   30  C   UNL     1       6.342   1.236   0.798  1.00  0.00           C  
HETATM   31  O   UNL     1       7.523   1.221   1.602  1.00  0.00           O  
HETATM   32  C   UNL     1       5.525  -0.066   0.991  1.00  0.00           C  
HETATM   33  O   UNL     1       4.179   0.326   0.646  1.00  0.00           O  
HETATM   34  N   UNL     1       6.006  -1.116   0.089  1.00  0.00           N  
HETATM   35  C   UNL     1       6.572  -2.225   0.599  1.00  0.00           C  
HETATM   36  O   UNL     1       6.677  -2.343   1.805  1.00  0.00           O  
HETATM   37  C   UNL     1       5.871  -0.962  -1.264  1.00  0.00           C  
HETATM   38  C   UNL     1       6.315  -1.929  -2.095  1.00  0.00           C  
HETATM   39  C   UNL     1       6.914  -3.088  -1.545  1.00  0.00           C  
HETATM   40  O   UNL     1       7.322  -3.974  -2.274  1.00  0.00           O  
HETATM   41  N   UNL     1       7.023  -3.205  -0.206  1.00  0.00           N  
HETATM   42  H   UNL     1      -3.754  -6.019   1.694  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.548  -5.207   3.065  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.455  -6.378   2.078  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.161  -3.027   2.138  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.169  -2.335   0.134  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.119  -0.639   1.635  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.089  -0.033   2.841  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.186  -1.912  -0.359  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.299  -3.521  -1.862  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.603  -3.315  -2.360  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.990  -4.202  -0.867  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.812   1.080  -1.624  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.511   0.179  -0.079  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.804   1.701   1.738  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.202   4.581   0.803  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.944   4.527   1.161  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.779   3.818   2.305  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.390  -0.527  -2.398  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.128   3.939   0.878  1.00  0.00           H  
HETATM   61  H   UNL     1       3.464   2.442  -0.739  1.00  0.00           H  
HETATM   62  H   UNL     1       2.997   3.476   0.632  1.00  0.00           H  
HETATM   63  H   UNL     1       3.522   1.560   2.184  1.00  0.00           H  
HETATM   64  H   UNL     1       5.391   3.197   0.651  1.00  0.00           H  
HETATM   65  H   UNL     1       6.493   3.106   2.768  1.00  0.00           H  
HETATM   66  H   UNL     1       6.590   1.388  -0.252  1.00  0.00           H  
HETATM   67  H   UNL     1       8.022   2.049   1.584  1.00  0.00           H  
HETATM   68  H   UNL     1       5.573  -0.400   2.027  1.00  0.00           H  
HETATM   69  H   UNL     1       5.412  -0.071  -1.665  1.00  0.00           H  
HETATM   70  H   UNL     1       6.215  -1.820  -3.164  1.00  0.00           H  
HETATM   71  H   UNL     1       7.432  -3.996   0.179  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   42   43   44                                       
CONECT    4    5    2   45                                            
CONECT    5    6    4    8   46                                       
CONECT    6   12    7    5   47                                       
CONECT    7    6   48                                                 
CONECT    8    5   10    9   49                                       
CONECT    9    8   50   51   52                                       
CONECT   10   11    8                                                 
CONECT   11   12   10   17   53                                       
CONECT   12   13   11    6   54                                       
CONECT   13   14   12   55                                            
CONECT   14   16   16   15   13                                       
CONECT   15   14   56   57   58                                       
CONECT   16   14   14                                                 
CONECT   17   11   18                                                 
CONECT   18   21   17   20   20                                       
CONECT   18   19                                                      
CONECT   19   18   59                                                 
CONECT   20   18   18                                                 
CONECT   21   22   18                                                 
CONECT   22   23   23   24   21                                       
CONECT   22   25                                                      
CONECT   23   22   22                                                 
CONECT   24   22   60                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   61   62                                       
CONECT   27   26   28   33   63                                       
CONECT   28   30   27   29   64                                       
CONECT   29   28   65                                                 
CONECT   30   28   31   32   66                                       
CONECT   31   30   67                                                 
CONECT   32   30   33   34   68                                       
CONECT   33   27   32                                                 
CONECT   34   37   32   35                                            
CONECT   35   34   41   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   38   38   34   69                                       
CONECT   38   37   37   39   70                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   35   71                                            
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   19                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   41                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
