COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1     -10.431  -1.511  -1.841  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.393  -0.743  -1.229  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.447  -0.141  -2.297  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.556  -0.864  -3.525  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.039  -0.312  -1.694  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.359   1.052  -1.567  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.014   0.874  -1.117  1.00  0.00           O  
HETATM    8  P   UNL     1      -4.001   2.102  -0.873  1.00  0.00           P  
HETATM    9  O   UNL     1      -4.546   3.014   0.337  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.544   1.529  -0.498  1.00  0.00           O  
HETATM   11  P   UNL     1      -1.070   2.173  -0.440  1.00  0.00           P  
HETATM   12  O   UNL     1      -0.886   3.088  -1.590  1.00  0.00           O  
HETATM   13  O   UNL     1       0.032   1.000  -0.506  1.00  0.00           O  
HETATM   14  C   UNL     1       1.436   1.255  -0.580  1.00  0.00           C  
HETATM   15  C   UNL     1       2.121   0.120  -1.345  1.00  0.00           C  
HETATM   16  O   UNL     1       1.851  -1.125  -0.697  1.00  0.00           O  
HETATM   17  O   UNL     1       1.976   1.330   0.741  1.00  0.00           O  
HETATM   18  C   UNL     1       3.377   1.609   0.784  1.00  0.00           C  
HETATM   19  C   UNL     1       4.140   0.488   0.072  1.00  0.00           C  
HETATM   20  C   UNL     1       3.632   0.369  -1.368  1.00  0.00           C  
HETATM   21  O   UNL     1       3.906   1.581  -2.073  1.00  0.00           O  
HETATM   22  N   UNL     1       5.575   0.801   0.062  1.00  0.00           N  
HETATM   23  C   UNL     1       6.219   0.362   1.308  1.00  0.00           C  
HETATM   24  C   UNL     1       7.687   0.699   1.261  1.00  0.00           C  
HETATM   25  C   UNL     1       8.152   1.922   1.732  1.00  0.00           C  
HETATM   26  O   UNL     1       7.288   2.838   2.244  1.00  0.00           O  
HETATM   27  C   UNL     1       9.511   2.194   1.671  1.00  0.00           C  
HETATM   28  C   UNL     1      10.031   3.515   2.178  1.00  0.00           C  
HETATM   29  N   UNL     1      10.353   1.309   1.176  1.00  0.00           N  
HETATM   30  C   UNL     1       9.944   0.141   0.722  1.00  0.00           C  
HETATM   31  C   UNL     1       8.607  -0.204   0.753  1.00  0.00           C  
HETATM   32  C   UNL     1       8.152  -1.543   0.231  1.00  0.00           C  
HETATM   33  O   UNL     1       9.282  -2.278  -0.243  1.00  0.00           O  
HETATM   34  P   UNL     1       9.166  -3.756  -0.872  1.00  0.00           P  
HETATM   35  O   UNL     1      10.608  -4.222  -1.416  1.00  0.00           O  
HETATM   36  O   UNL     1       8.663  -4.783   0.262  1.00  0.00           O  
HETATM   37  O   UNL     1       8.197  -3.741  -1.990  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.897   2.995   0.933  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.909   2.918  -2.104  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.200  -0.904  -0.394  1.00  0.00           O  
HETATM   41  C   UNL     1      -8.434  -1.654  -0.421  1.00  0.00           C  
HETATM   42  N   UNL     1      -8.942  -1.863   0.937  1.00  0.00           N  
HETATM   43  C   UNL     1      -9.321  -3.116   1.334  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.790  -3.308   2.586  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.026  -0.821   1.784  1.00  0.00           C  
HETATM   46  N   UNL     1      -9.489  -0.984   3.037  1.00  0.00           N  
HETATM   47  C   UNL     1      -9.878  -2.202   3.465  1.00  0.00           C  
HETATM   48  O   UNL     1     -10.298  -2.351   4.598  1.00  0.00           O  
HETATM   49  O   UNL     1      -8.678   0.283   1.413  1.00  0.00           O  
HETATM   50  H   UNL     1     -11.030  -0.992  -2.394  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.812   0.039  -0.596  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.670   0.914  -2.453  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.439  -0.839  -3.919  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.441  -0.967  -2.328  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.354   1.548  -2.538  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.904   1.665  -0.849  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.632   2.544   1.177  1.00  0.00           H  
HETATM   58  H   UNL     1       1.608   2.198  -1.097  1.00  0.00           H  
HETATM   59  H   UNL     1       1.742   0.089  -2.367  1.00  0.00           H  
HETATM   60  H   UNL     1       0.911  -1.344  -0.642  1.00  0.00           H  
HETATM   61  H   UNL     1       3.575   2.557   0.284  1.00  0.00           H  
HETATM   62  H   UNL     1       3.704   1.669   1.821  1.00  0.00           H  
HETATM   63  H   UNL     1       3.976  -0.454   0.596  1.00  0.00           H  
HETATM   64  H   UNL     1       4.131  -0.464  -1.863  1.00  0.00           H  
HETATM   65  H   UNL     1       3.605   1.578  -2.992  1.00  0.00           H  
HETATM   66  H   UNL     1       5.730   1.785  -0.097  1.00  0.00           H  
HETATM   67  H   UNL     1       5.756   0.870   2.154  1.00  0.00           H  
HETATM   68  H   UNL     1       6.097  -0.715   1.420  1.00  0.00           H  
HETATM   69  H   UNL     1       7.144   2.753   3.196  1.00  0.00           H  
HETATM   70  H   UNL     1      10.279   3.427   3.236  1.00  0.00           H  
HETATM   71  H   UNL     1      10.923   3.794   1.617  1.00  0.00           H  
HETATM   72  H   UNL     1       9.266   4.281   2.047  1.00  0.00           H  
HETATM   73  H   UNL     1      10.665  -0.558   0.323  1.00  0.00           H  
HETATM   74  H   UNL     1       7.667  -2.100   1.033  1.00  0.00           H  
HETATM   75  H   UNL     1       7.446  -1.394  -0.586  1.00  0.00           H  
HETATM   76  H   UNL     1      10.612  -5.105  -1.810  1.00  0.00           H  
HETATM   77  H   UNL     1       9.251  -4.844   1.027  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.005   2.458   1.729  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.291  -2.608  -0.929  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.247  -3.948   0.649  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.093  -4.292   2.911  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.543  -0.222   3.635  1.00  0.00           H  
CONECT    1    2   50                                                 
CONECT    2   41    3    1   51                                       
CONECT    3    2    5    4   52                                       
CONECT    4    3   53                                                 
CONECT    5    3    6   40   54                                       
CONECT    6    5    7   55   56                                       
CONECT    7    6    8                                                 
CONECT    8   10    7   39   39                                       
CONECT    8    9                                                      
CONECT    9    8   57                                                 
CONECT   10   11    8                                                 
CONECT   11   12   12   38   13                                       
CONECT   11   10                                                      
CONECT   12   11   11                                                 
CONECT   13   11   14                                                 
CONECT   14   17   13   15   58                                       
CONECT   15   14   20   16   59                                       
CONECT   16   15   60                                                 
CONECT   17   18   14                                                 
CONECT   18   17   19   61   62                                       
CONECT   19   18   22   20   63                                       
CONECT   20   19   15   21   64                                       
CONECT   21   20   65                                                 
CONECT   22   23   19   66                                            
CONECT   23   24   22   67   68                                       
CONECT   24   31   23   25   25                                       
CONECT   25   24   24   27   26                                       
CONECT   26   25   69                                                 
CONECT   27   29   29   25   28                                       
CONECT   28   27   70   71   72                                       
CONECT   29   30   27   27                                            
CONECT   30   31   31   29   73                                       
CONECT   31   32   30   30   24                                       
CONECT   32   33   31   74   75                                       
CONECT   33   34   32                                                 
CONECT   34   37   37   36   35                                       
CONECT   34   33                                                      
CONECT   35   34   76                                                 
CONECT   36   34   77                                                 
CONECT   37   34   34                                                 
CONECT   38   11   78                                                 
CONECT   39    8    8                                                 
CONECT   40   41    5                                                 
CONECT   41   42    2   40   79                                       
CONECT   42   43   45   41                                            
CONECT   43   44   44   42   80                                       
CONECT   44   47   43   43   81                                       
CONECT   45   46   42   49   49                                       
CONECT   46   47   45   82                                            
CONECT   47   48   48   44   46                                       
CONECT   48   47   47                                                 
CONECT   49   45   45                                                 
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    9                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   30                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   41                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   46                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
