COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.498  -1.064  -2.002  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.681  -0.937  -3.365  1.00  0.00           C  
HETATM    3  C   UNL     1       0.121  -0.070  -4.093  1.00  0.00           C  
HETATM    4  C   UNL     1       1.104   0.665  -3.450  1.00  0.00           C  
HETATM    5  C   UNL     1       1.280   0.538  -2.085  1.00  0.00           C  
HETATM    6  C   UNL     1       0.483  -0.329  -1.363  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.128  -0.816  -5.794  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.377  -0.722  -7.277  1.00  0.00           C  
HETATM    9  C   UNL     1       0.680  -0.471   0.123  1.00  0.00           C  
HETATM   10  C   UNL     1       1.692  -1.585   0.400  1.00  0.00           C  
HETATM   11  C   UNL     1       1.889  -1.726   1.887  1.00  0.00           C  
HETATM   12  N   UNL     1       2.846  -1.011   2.511  1.00  0.00           N  
HETATM   13  N   UNL     1       1.191  -2.847  -0.148  1.00  0.00           N  
HETATM   14  C   UNL     1       0.021  -3.355   0.288  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.493  -4.653  -0.275  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.616  -2.766   1.135  1.00  0.00           O  
HETATM   17  O   UNL     1       1.187  -2.484   2.522  1.00  0.00           O  
HETATM   18  C   UNL     1       3.038  -1.148   3.957  1.00  0.00           C  
HETATM   19  C   UNL     1       4.404  -0.582   4.351  1.00  0.00           C  
HETATM   20  C   UNL     1       4.758   0.615   3.488  1.00  0.00           C  
HETATM   21  C   UNL     1       3.863   1.820   3.715  1.00  0.00           C  
HETATM   22  C   UNL     1       2.436   1.535   3.245  1.00  0.00           C  
HETATM   23  N   UNL     1       1.698   0.890   4.344  1.00  0.00           N  
HETATM   24  C   UNL     1       1.963  -0.373   4.689  1.00  0.00           C  
HETATM   25  C   UNL     1       0.663   1.638   5.062  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.666   1.433   4.384  1.00  0.00           C  
HETATM   27  O   UNL     1       1.344  -0.895   5.592  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.056   0.057  -5.435  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.069   2.299   3.383  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.284   2.114   2.754  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.110   1.059   3.137  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.701   0.193   4.150  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.482   0.384   4.768  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.419   0.857   2.469  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.857  -0.428   2.162  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.079  -0.610   1.546  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.862   0.482   1.222  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.430   1.762   1.520  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.213   1.955   2.141  1.00  0.00           C  
HETATM   40  P   UNL     1       2.156   1.799  -4.398  1.00  0.00           P  
HETATM   41  O   UNL     1       1.472   3.256  -4.441  1.00  0.00           O  
HETATM   42  O   UNL     1       2.314   1.288  -5.778  1.00  0.00           O  
HETATM   43  O   UNL     1       3.601   1.905  -3.696  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.345  -1.460  -7.844  1.00  0.00           O  
HETATM   45  O   UNL     1      -0.706   0.017  -7.957  1.00  0.00           O  
HETATM   46  H   UNL     1      -1.123  -1.739  -1.435  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.447  -1.511  -3.864  1.00  0.00           H  
HETATM   48  H   UNL     1       2.045   1.111  -1.584  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.863  -1.842  -5.535  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.030  -0.527  -5.255  1.00  0.00           H  
HETATM   51  H   UNL     1       1.053   0.467   0.531  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.270  -0.720   0.594  1.00  0.00           H  
HETATM   53  H   UNL     1       2.643  -1.336  -0.070  1.00  0.00           H  
HETATM   54  H   UNL     1       3.407  -0.404   2.003  1.00  0.00           H  
HETATM   55  H   UNL     1       1.701  -3.318  -0.825  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.445  -4.902   0.195  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.636  -4.551  -1.351  1.00  0.00           H  
HETATM   58  H   UNL     1       0.227  -5.447  -0.078  1.00  0.00           H  
HETATM   59  H   UNL     1       2.984  -2.201   4.235  1.00  0.00           H  
HETATM   60  H   UNL     1       5.163  -1.353   4.222  1.00  0.00           H  
HETATM   61  H   UNL     1       4.378  -0.275   5.396  1.00  0.00           H  
HETATM   62  H   UNL     1       4.688   0.323   2.440  1.00  0.00           H  
HETATM   63  H   UNL     1       5.788   0.903   3.698  1.00  0.00           H  
HETATM   64  H   UNL     1       4.260   2.671   3.161  1.00  0.00           H  
HETATM   65  H   UNL     1       3.849   2.061   4.778  1.00  0.00           H  
HETATM   66  H   UNL     1       2.461   0.870   2.382  1.00  0.00           H  
HETATM   67  H   UNL     1       1.946   2.471   2.975  1.00  0.00           H  
HETATM   68  H   UNL     1       0.913   2.699   5.060  1.00  0.00           H  
HETATM   69  H   UNL     1       0.605   1.281   6.091  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.428   3.116   3.087  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.596   2.787   1.970  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.337  -0.626   4.450  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.164  -0.285   5.552  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.246  -1.282   2.414  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.422  -1.607   1.312  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.816   0.335   0.736  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.046   2.612   1.265  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.876   2.954   2.373  1.00  0.00           H  
HETATM   79  H   UNL     1       2.062   3.827  -4.953  1.00  0.00           H  
HETATM   80  H   UNL     1       3.453   2.241  -2.802  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.505  -1.399  -8.795  1.00  0.00           H  
CONECT    1    2    6    6   46                                       
CONECT    2    1    3    3   47                                       
CONECT    3    2    2    4   28                                       
CONECT    4    3    5    5   40                                       
CONECT    5    4    4    6   48                                       
CONECT    6    1    1    5    9                                       
CONECT    7    8   28   49   50                                       
CONECT    8    7   44   45   45                                       
CONECT    9    6   10   51   52                                       
CONECT   10    9   11   13   53                                       
CONECT   11   10   12   17   17                                       
CONECT   12   11   18   54                                            
CONECT   13   10   14   55                                            
CONECT   14   13   15   16   16                                       
CONECT   15   14   56   57   58                                       
CONECT   16   14   14                                                 
CONECT   17   11   11                                                 
CONECT   18   12   19   24   59                                       
CONECT   19   18   20   60   61                                       
CONECT   20   19   21   62   63                                       
CONECT   21   20   22   64   65                                       
CONECT   22   21   23   66   67                                       
CONECT   23   22   24   25                                            
CONECT   24   18   23   27   27                                       
CONECT   25   23   26   68   69                                       
CONECT   26   25   29   33   33                                       
CONECT   27   24   24                                                 
CONECT   28    3    7                                                 
CONECT   29   26   30   30   70                                       
CONECT   30   29   29   31   71                                       
CONECT   31   30   32   32   34                                       
CONECT   32   31   31   33   72                                       
CONECT   33   26   26   32   73                                       
CONECT   34   31   35   39   39                                       
CONECT   35   34   36   36   74                                       
CONECT   36   35   35   37   75                                       
CONECT   37   36   38   38   76                                       
CONECT   38   37   37   39   77                                       
CONECT   39   34   34   38   78                                       
CONECT   40    4   41   42   42                                       
CONECT   40   43                                                      
CONECT   41   40   79                                                 
CONECT   42   40   40                                                 
CONECT   43   40   80                                                 
CONECT   44    8   81                                                 
CONECT   45    8    8                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   41                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
