COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.550   2.862   0.970  1.00  0.00           C  
HETATM    2  C   UNL     1       3.645  -0.594   1.530  1.00  0.00           C  
HETATM    3  C   UNL     1       2.784  -1.718  -0.578  1.00  0.00           C  
HETATM    4  C   UNL     1       0.802  -0.398  -1.552  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.565   2.051  -3.190  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.316   0.379  -3.140  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.867  -0.794  -2.327  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.331  -1.109  -0.561  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.179  -1.298  -2.958  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.592   3.134  -2.143  1.00  0.00           C  
HETATM   11  C   UNL     1       0.049   5.274  -1.263  1.00  0.00           C  
HETATM   12  C   UNL     1       1.428   5.910  -1.076  1.00  0.00           C  
HETATM   13  C   UNL     1       2.980   4.433   0.031  1.00  0.00           C  
HETATM   14  C   UNL     1       4.099   1.677   1.821  1.00  0.00           C  
HETATM   15  C   UNL     1       1.674  -0.845  -0.856  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.012  -0.268  -2.781  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.225  -1.151  -1.826  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.952   0.917   0.810  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.248   0.051   2.318  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.834  -0.993   1.473  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.073  -2.472   2.721  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.108  -0.261   3.384  1.00  0.00           C  
HETATM   23  C   UNL     1       4.193  -3.361  -0.783  1.00  0.00           C  
HETATM   24  C   UNL     1       4.603  -2.595   0.323  1.00  0.00           C  
HETATM   25  C   UNL     1       6.397  -4.003   0.606  1.00  0.00           C  
HETATM   26  C   UNL     1       4.958  -4.491  -1.130  1.00  0.00           C  
HETATM   27  C   UNL     1       5.010  -0.550   2.240  1.00  0.00           C  
HETATM   28  C   UNL     1       5.322   0.951   2.410  1.00  0.00           C  
HETATM   29  N   UNL     1       0.137   4.272  -2.352  1.00  0.00           N  
HETATM   30  N   UNL     1       2.027   5.396   0.173  1.00  0.00           N  
HETATM   31  N   UNL     1       3.587   3.968   1.158  1.00  0.00           N  
HETATM   32  N   UNL     1       3.675  -1.588   0.457  1.00  0.00           N  
HETATM   33  N   UNL     1      -1.015   0.786  -2.593  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.014  -0.417   0.535  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.677   1.189   1.856  1.00  0.00           N  
HETATM   36  N   UNL     1      -6.267  -2.226   1.710  1.00  0.00           N  
HETATM   37  N   UNL     1      -7.489  -1.525   3.542  1.00  0.00           N  
HETATM   38  N   UNL     1      -7.549   0.725   4.250  1.00  0.00           N  
HETATM   39  N   UNL     1       3.087  -2.777  -1.291  1.00  0.00           N  
HETATM   40  N   UNL     1       5.704  -2.948   0.978  1.00  0.00           N  
HETATM   41  N   UNL     1       6.044  -4.763  -0.412  1.00  0.00           N  
HETATM   42  N   UNL     1       4.589  -5.299  -2.191  1.00  0.00           N  
HETATM   43  O   UNL     1      -1.249   2.998  -1.132  1.00  0.00           O  
HETATM   44  O   UNL     1       3.279   4.002  -1.066  1.00  0.00           O  
HETATM   45  O   UNL     1       3.393   0.720   1.012  1.00  0.00           O  
HETATM   46  O   UNL     1      -3.173  -0.361  -0.991  1.00  0.00           O  
HETATM   47  O   UNL     1      -4.052  -2.666  -3.350  1.00  0.00           O  
HETATM   48  O   UNL     1      -6.103  -2.278  -1.793  1.00  0.00           O  
HETATM   49  O   UNL     1       5.474   1.274   3.794  1.00  0.00           O  
HETATM   50  O   UNL     1       4.928  -1.189   3.515  1.00  0.00           O  
HETATM   51  H   UNL     1       5.542   3.184   1.286  1.00  0.00           H  
HETATM   52  H   UNL     1       4.576   2.571  -0.080  1.00  0.00           H  
HETATM   53  H   UNL     1       2.869  -0.850   2.252  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.229   2.322  -4.011  1.00  0.00           H  
HETATM   55  H   UNL     1       0.451   1.934  -3.567  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.193   0.075  -4.180  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.011   1.217  -3.087  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.134  -1.600  -2.296  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.046  -2.116  -0.258  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.453  -0.681  -3.813  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.257   4.784  -0.339  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.675   6.043  -1.531  1.00  0.00           H  
HETATM   63  H   UNL     1       2.067   5.653  -1.920  1.00  0.00           H  
HETATM   64  H   UNL     1       1.324   6.994  -1.012  1.00  0.00           H  
HETATM   65  H   UNL     1       3.453   2.018   2.631  1.00  0.00           H  
HETATM   66  H   UNL     1       0.635  -0.010  -3.619  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.513  -1.214  -2.986  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.788  -0.224  -1.935  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.383   1.640   0.245  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.407  -3.486   2.886  1.00  0.00           H  
HETATM   71  H   UNL     1       7.290  -4.256   1.156  1.00  0.00           H  
HETATM   72  H   UNL     1       5.772  -1.028   1.625  1.00  0.00           H  
HETATM   73  H   UNL     1       6.224   1.217   1.858  1.00  0.00           H  
HETATM   74  H   UNL     1       0.669   4.412  -3.151  1.00  0.00           H  
HETATM   75  H   UNL     1       1.757   5.726   1.045  1.00  0.00           H  
HETATM   76  H   UNL     1       3.398   4.341   2.034  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.264   1.643   4.124  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.143   0.497   4.982  1.00  0.00           H  
HETATM   79  H   UNL     1       5.125  -6.075  -2.419  1.00  0.00           H  
HETATM   80  H   UNL     1       3.795  -5.089  -2.707  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.849  -3.036  -3.753  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.619  -2.399  -2.602  1.00  0.00           H  
HETATM   83  H   UNL     1       6.229   0.845   4.218  1.00  0.00           H  
HETATM   84  H   UNL     1       5.760  -1.191   4.008  1.00  0.00           H  
CONECT    1   31   14   51   52                                       
CONECT    2   32   45   27   53                                       
CONECT    3   39   39   15   32                                       
CONECT    4   15   15   15   16                                       
CONECT    5   10   33   54   55                                       
CONECT    6    7   33   56   57                                       
CONECT    7    9   46    6   58                                       
CONECT    8   17   34   46   59                                       
CONECT    9   17   47    7   60                                       
CONECT   10   29    5   43   43                                       
CONECT   11   29   12   61   62                                       
CONECT   12   11   30   63   64                                       
CONECT   13   44   44   30   31                                       
CONECT   14   45    1   28   65                                       
CONECT   15    3    4    4    4                                       
CONECT   16   33    4   66   67                                       
CONECT   17   48    9    8   68                                       
CONECT   18   35   35   34   69                                       
CONECT   19   35   22   22   20                                       
CONECT   20   19   34   36   36                                       
CONECT   21   37   37   36   70                                       
CONECT   22   38   19   19   37                                       
CONECT   23   26   39   24   24                                       
CONECT   24   23   23   40   32                                       
CONECT   25   41   40   40   71                                       
CONECT   26   42   41   41   23                                       
CONECT   27    2   28   50   72                                       
CONECT   28   14   27   49   73                                       
CONECT   29   11   10   74                                            
CONECT   30   12   13   75                                            
CONECT   31   13    1   76                                            
CONECT   32    3   24    2                                            
CONECT   33    6    5   16                                            
CONECT   34   18   20    8                                            
CONECT   35   19   18   18                                            
CONECT   36   20   20   21                                            
CONECT   37   22   21   21                                            
CONECT   38   22   77   78                                            
CONECT   39   23    3    3                                            
CONECT   40   25   25   24                                            
CONECT   41   26   26   25                                            
CONECT   42   26   79   80                                            
CONECT   43   10   10                                                 
CONECT   44   13   13                                                 
CONECT   45    2   14                                                 
CONECT   46    8    7                                                 
CONECT   47    9   81                                                 
CONECT   48   17   82                                                 
CONECT   49   28   83                                                 
CONECT   50   27   84                                                 
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   21                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   47                                                      
CONECT   82   48                                                      
CONECT   83   49                                                      
CONECT   84   50                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
