COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1      -0.413  -4.017  -1.007  1.00  0.00           C  
HETATM    2  C   UNK     1      -0.710  -4.324   0.462  1.00  0.00           C  
HETATM    3  C   UNK     1      -1.996  -5.146   0.562  1.00  0.00           C  
HETATM    4  C   UNK     1       0.452  -5.119   1.062  1.00  0.00           C  
HETATM    5  C   UNK     1      -0.881  -3.013   1.232  1.00  0.00           C  
HETATM    6  N   UNK     1      -2.146  -2.347   0.824  1.00  0.00           N  
HETATM    7  C   UNK     1      -2.199  -1.879  -0.465  1.00  0.00           C  
HETATM    8  O   UNK     1      -1.269  -2.053  -1.224  1.00  0.00           O  
HETATM    9  C   UNK     1      -3.432  -1.147  -0.921  1.00  0.00           C  
HETATM   10  N   UNK     1      -3.574   0.082  -0.137  1.00  0.00           N  
HETATM   11  C   UNK     1      -4.187   0.049   1.063  1.00  0.00           C  
HETATM   12  O   UNK     1      -4.622  -0.998   1.493  1.00  0.00           O  
HETATM   13  C   UNK     1      -4.333   1.314   1.870  1.00  0.00           C  
HETATM   14  O   UNK     1      -4.906   1.004   3.141  1.00  0.00           O  
HETATM   15  C   UNK     1      -5.243   2.292   1.125  1.00  0.00           C  
HETATM   16  C   UNK     1      -6.654   1.706   1.031  1.00  0.00           C  
HETATM   17  C   UNK     1      -5.292   3.621   1.881  1.00  0.00           C  
HETATM   18  C   UNK     1      -3.366  -0.786  -2.404  1.00  0.00           C  
HETATM   19  C   UNK     1      -2.012  -0.237  -2.753  1.00  0.00           C  
HETATM   20  C   UNK     1      -1.170   0.170  -1.722  1.00  0.00           C  
HETATM   21  C   UNK     1       0.125   0.542  -2.005  1.00  0.00           C  
HETATM   22  C   UNK     1      -1.579  -0.106  -4.062  1.00  0.00           C  
HETATM   23  C   UNK     1      -0.296   0.335  -4.336  1.00  0.00           C  
HETATM   24  C   UNK     1       0.592   0.633  -3.301  1.00  0.00           C  
HETATM   25  O   UNK     1       1.912   0.958  -3.327  1.00  0.00           O  
HETATM   26  C   UNK     1       2.514   0.780  -2.033  1.00  0.00           C  
HETATM   27  N   UNK     1       3.231   2.004  -1.656  1.00  0.00           N  
HETATM   28  C   UNK     1       2.439   2.774  -0.796  1.00  0.00           C  
HETATM   29  C   UNK     1       2.658   4.058  -0.295  1.00  0.00           C  
HETATM   30  C   UNK     1       1.733   4.651   0.537  1.00  0.00           C  
HETATM   31  C   UNK     1       0.576   3.976   0.891  1.00  0.00           C  
HETATM   32  F   UNK     1      -0.332   4.560   1.702  1.00  0.00           F  
HETATM   33  C   UNK     1       0.356   2.698   0.406  1.00  0.00           C  
HETATM   34  C   UNK     1       1.281   2.098  -0.429  1.00  0.00           C  
HETATM   35  C   UNK     1       1.317   0.741  -1.068  1.00  0.00           C  
HETATM   36  C   UNK     1       1.251  -0.411  -0.102  1.00  0.00           C  
HETATM   37  O   UNK     1       0.050  -1.029   0.070  1.00  0.00           O  
HETATM   38  C   UNK     1       0.249  -2.065   0.896  1.00  0.00           C  
HETATM   39  N   UNK     1       1.483  -2.075   1.293  1.00  0.00           N  
HETATM   40  C   UNK     1       2.136  -1.034   0.684  1.00  0.00           C  
HETATM   41  C   UNK     1       3.556  -0.669   0.865  1.00  0.00           C  
HETATM   42  N   UNK     1       4.415  -1.288   1.641  1.00  0.00           N  
HETATM   43  O   UNK     1       4.187   0.352   0.258  1.00  0.00           O  
HETATM   44  C   UNK     1       5.469   0.349   0.679  1.00  0.00           C  
HETATM   45  C   UNK     1       5.603  -0.671   1.545  1.00  0.00           C  
HETATM   46  C   UNK     1       6.865  -1.058   2.271  1.00  0.00           C  
HETATM   47  O   UNK     1       7.920  -0.168   1.900  1.00  0.00           O  
HETATM   48  H   UNK     1      -1.346  -3.808  -1.530  1.00  0.00           H  
HETATM   49  H   UNK     1       0.243  -3.149  -1.072  1.00  0.00           H  
HETATM   50  H   UNK     1       0.076  -4.876  -1.466  1.00  0.00           H  
HETATM   51  H   UNK     1      -1.874  -6.080   0.013  1.00  0.00           H  
HETATM   52  H   UNK     1      -2.207  -5.364   1.609  1.00  0.00           H  
HETATM   53  H   UNK     1      -2.823  -4.579   0.135  1.00  0.00           H  
HETATM   54  H   UNK     1       1.368  -4.533   0.990  1.00  0.00           H  
HETATM   55  H   UNK     1       0.241  -5.337   2.108  1.00  0.00           H  
HETATM   56  H   UNK     1       0.574  -6.053   0.513  1.00  0.00           H  
HETATM   57  H   UNK     1      -0.894  -3.210   2.304  1.00  0.00           H  
HETATM   58  H   UNK     1      -2.892  -2.250   1.435  1.00  0.00           H  
HETATM   59  H   UNK     1      -4.304  -1.779  -0.750  1.00  0.00           H  
HETATM   60  H   UNK     1      -3.226   0.920  -0.481  1.00  0.00           H  
HETATM   61  H   UNK     1      -3.353   1.768   2.014  1.00  0.00           H  
HETATM   62  H   UNK     1      -5.782   0.596   3.089  1.00  0.00           H  
HETATM   63  H   UNK     1      -4.853   2.460   0.121  1.00  0.00           H  
HETATM   64  H   UNK     1      -7.045   1.539   2.035  1.00  0.00           H  
HETATM   65  H   UNK     1      -7.302   2.403   0.501  1.00  0.00           H  
HETATM   66  H   UNK     1      -6.619   0.760   0.492  1.00  0.00           H  
HETATM   67  H   UNK     1      -4.287   4.038   1.947  1.00  0.00           H  
HETATM   68  H   UNK     1      -5.940   4.318   1.350  1.00  0.00           H  
HETATM   69  H   UNK     1      -5.683   3.454   2.885  1.00  0.00           H  
HETATM   70  H   UNK     1      -3.558  -1.678  -3.000  1.00  0.00           H  
HETATM   71  H   UNK     1      -4.125  -0.035  -2.625  1.00  0.00           H  
HETATM   72  H   UNK     1      -1.531   0.195  -0.704  1.00  0.00           H  
HETATM   73  H   UNK     1      -2.247  -0.351  -4.874  1.00  0.00           H  
HETATM   74  H   UNK     1       0.021   0.449  -5.362  1.00  0.00           H  
HETATM   75  H   UNK     1       3.134  -0.106  -1.986  1.00  0.00           H  
HETATM   76  H   UNK     1       4.121   2.245  -1.959  1.00  0.00           H  
HETATM   77  H   UNK     1       3.559   4.590  -0.562  1.00  0.00           H  
HETATM   78  H   UNK     1       1.911   5.647   0.916  1.00  0.00           H  
HETATM   79  H   UNK     1      -0.542   2.166   0.682  1.00  0.00           H  
HETATM   80  H   UNK     1       6.242   1.041   0.380  1.00  0.00           H  
HETATM   81  H   UNK     1       6.699  -0.997   3.346  1.00  0.00           H  
HETATM   82  H   UNK     1       7.140  -2.078   2.003  1.00  0.00           H  
HETATM   83  H   UNK     1       8.765  -0.358   2.331  1.00  0.00           H  
CONECT    1    2   48   49   50                                       
CONECT    2    5    4    3    1                                       
CONECT    3    2   51   52   53                                       
CONECT    4    2   54   55   56                                       
CONECT    5   38    6    2   57                                       
CONECT    6    7    5   58                                            
CONECT    7    8    8    9    6                                       
CONECT    8    7    7                                                 
CONECT    9   18    7   10   59                                       
CONECT   10    9   11   60                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   15   61                                       
CONECT   14   13   62                                                 
CONECT   15   13   16   17   63                                       
CONECT   16   15   64   65   66                                       
CONECT   17   15   67   68   69                                       
CONECT   18   19    9   70   71                                       
CONECT   19   20   20   22   18                                       
CONECT   20   21   19   19   72                                       
CONECT   21   35   24   24   20                                       
CONECT   22   23   23   19   73                                       
CONECT   23   24   22   22   74                                       
CONECT   24   25   21   21   23                                       
CONECT   25   26   24                                                 
CONECT   26   27   25   35   75                                       
CONECT   27   28   26   76                                            
CONECT   28   29   27   34   34                                       
CONECT   29   30   30   28   77                                       
CONECT   30   29   29   31   78                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31                                                      
CONECT   33   31   31   34   79                                       
CONECT   34   28   28   33   35                                       
CONECT   35   34   26   21   36                                       
CONECT   36   35   40   40   37                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   39    5                                       
CONECT   39   40   38   38                                            
CONECT   40   41   36   36   39                                       
CONECT   41   43   42   42   40                                       
CONECT   42   45   41   41                                            
CONECT   43   44   41                                                 
CONECT   44   43   45   45   80                                       
CONECT   45   44   44   46   42                                       
CONECT   46   45   47   81   82                                       
CONECT   47   46   83                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   33                                                      
CONECT   80   44                                                      
CONECT   81   46                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
