COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.425  -4.567   0.972  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.912  -2.784   0.564  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.207  -2.029   0.708  1.00  0.00           C  
HETATM    4  N   UNL     1       6.045  -2.906   1.822  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.309  -2.755  -0.065  1.00  0.00           C  
HETATM    6  O   UNL     1       5.641   1.533   0.979  1.00  0.00           O  
HETATM    7  C   UNL     1       4.111  -3.265  -0.118  1.00  0.00           C  
HETATM    8  C   UNL     1       0.574  -3.675  -0.535  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.602  -4.624  -0.298  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.858  -3.850  -0.282  1.00  0.00           N  
HETATM   11  C   UNL     1       1.836  -4.271   0.091  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.929  -2.444   1.188  1.00  0.00           O  
HETATM   13  C   UNL     1       3.026  -4.061  -0.847  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.019   0.103   2.270  1.00  0.00           O  
HETATM   15  C   UNL     1       6.267  -3.826   0.925  1.00  0.00           C  
HETATM   16  N   UNL     1      -8.474   0.144  -2.454  1.00  0.00           N  
HETATM   17  N   UNL     1       5.345  -4.055  -0.068  1.00  0.00           N  
HETATM   18  C   UNL     1       4.371  -1.976  -0.853  1.00  0.00           C  
HETATM   19  O   UNL     1       4.184  -1.902  -2.049  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.629  -2.070   0.178  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.040  -1.046  -0.654  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.251  -0.417  -0.430  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.698   0.700  -1.337  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.050  -0.813   0.626  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.640  -1.837   1.458  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.431  -2.469   1.231  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.988   0.345   1.082  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.885   1.765   0.592  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.247   1.783  -0.798  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.786   1.339  -0.696  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.113   1.478  -2.062  1.00  0.00           C  
HETATM   32  C   UNL     1       1.347   1.034  -1.959  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.312   3.544   0.971  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.417   4.380   1.849  1.00  0.00           C  
HETATM   35  C   UNL     1       0.777   4.841   1.053  1.00  0.00           C  
HETATM   36  C   UNL     1       1.964   4.137   1.124  1.00  0.00           C  
HETATM   37  C   UNL     1       3.061   4.557   0.396  1.00  0.00           C  
HETATM   38  C   UNL     1       4.356   3.789   0.475  1.00  0.00           C  
HETATM   39  C   UNL     1       5.011   1.530  -0.058  1.00  0.00           C  
HETATM   40  C   UNL     1       5.040   0.327  -0.962  1.00  0.00           C  
HETATM   41  C   UNL     1       2.971   5.682  -0.403  1.00  0.00           C  
HETATM   42  C   UNL     1       1.784   6.386  -0.473  1.00  0.00           C  
HETATM   43  C   UNL     1       0.686   5.963   0.252  1.00  0.00           C  
HETATM   44  N   UNL     1      -3.046  -0.666   0.169  1.00  0.00           N  
HETATM   45  N   UNL     1       1.993   1.168  -3.272  1.00  0.00           N  
HETATM   46  N   UNL     1      -2.044   2.537   1.535  1.00  0.00           N  
HETATM   47  N   UNL     1       4.272   2.616  -0.417  1.00  0.00           N  
HETATM   48  N   UNL     1       4.818  -0.892  -0.153  1.00  0.00           N  
HETATM   49  O   UNL     1      -1.381   3.762  -0.220  1.00  0.00           O  
HETATM   50  H   UNL     1       8.076  -4.405   1.673  1.00  0.00           H  
HETATM   51  H   UNL     1       7.588  -5.254   0.307  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.479  -1.973   1.762  1.00  0.00           H  
HETATM   53  H   UNL     1       6.697  -2.745   2.522  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.080  -2.734  -1.131  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.369  -3.790   0.273  1.00  0.00           H  
HETATM   56  H   UNL     1       3.780  -3.044   0.897  1.00  0.00           H  
HETATM   57  H   UNL     1       0.726  -3.544  -1.606  1.00  0.00           H  
HETATM   58  H   UNL     1       0.360  -2.710  -0.076  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.640  -5.363  -1.099  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.474  -5.131   0.658  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.610  -4.089  -0.846  1.00  0.00           H  
HETATM   62  H   UNL     1       2.035  -3.780   1.044  1.00  0.00           H  
HETATM   63  H   UNL     1       1.689  -5.338   0.258  1.00  0.00           H  
HETATM   64  H   UNL     1       2.701  -3.509  -1.729  1.00  0.00           H  
HETATM   65  H   UNL     1       3.426  -5.029  -1.149  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.786   0.873  -3.077  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.941  -0.554  -2.952  1.00  0.00           H  
HETATM   68  H   UNL     1       5.510  -4.739  -0.735  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.416  -0.736  -1.479  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.825   1.224  -1.727  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.320   1.398  -0.775  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.996  -0.322   0.800  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.264  -2.146   2.283  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.110  -3.270   1.881  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.879   2.208   0.543  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.788   1.102  -1.455  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.292   2.793  -1.206  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.267   1.964   0.031  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.745   0.298  -0.375  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.633   0.853  -2.789  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.155   2.519  -2.383  1.00  0.00           H  
HETATM   82  H   UNL     1       1.867   1.659  -1.233  1.00  0.00           H  
HETATM   83  H   UNL     1       1.389  -0.007  -1.639  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.970   5.247   2.211  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.081   3.783   2.697  1.00  0.00           H  
HETATM   86  H   UNL     1       2.034   3.259   1.748  1.00  0.00           H  
HETATM   87  H   UNL     1       5.179   4.429   0.160  1.00  0.00           H  
HETATM   88  H   UNL     1       4.521   3.458   1.500  1.00  0.00           H  
HETATM   89  H   UNL     1       4.253   0.416  -1.711  1.00  0.00           H  
HETATM   90  H   UNL     1       6.009   0.265  -1.456  1.00  0.00           H  
HETATM   91  H   UNL     1       3.828   6.010  -0.972  1.00  0.00           H  
HETATM   92  H   UNL     1       1.714   7.267  -1.094  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.244   6.510   0.193  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.984  -0.497  -0.784  1.00  0.00           H  
HETATM   95  H   UNL     1       1.911   2.111  -3.621  1.00  0.00           H  
HETATM   96  H   UNL     1       2.960   0.881  -3.230  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.016   2.343   2.485  1.00  0.00           H  
HETATM   98  H   UNL     1       3.720   2.618  -1.214  1.00  0.00           H  
HETATM   99  H   UNL     1       4.978  -0.919   0.804  1.00  0.00           H  
CONECT    1   15   50   51                                            
CONECT    2    3   12   12   10                                       
CONECT    3    5   44    2   52                                       
CONECT    4   15   15   53                                            
CONECT    5   20    3   54   55                                       
CONECT    6   39   39                                                 
CONECT    7   18   17   13   56                                       
CONECT    8   11    9   57   58                                       
CONECT    9   10    8   59   60                                       
CONECT   10    2    9   61                                            
CONECT   11   13    8   62   63                                       
CONECT   12    2    2                                                 
CONECT   13    7   11   64   65                                       
CONECT   14   27   27                                                 
CONECT   15    4    4   17    1                                       
CONECT   16   23   66   67                                            
CONECT   17    7   15   68                                            
CONECT   18   19   19   48    7                                       
CONECT   19   18   18                                                 
CONECT   20   26   26   21    5                                       
CONECT   21   22   22   20   69                                       
CONECT   22   24   23   21   21                                       
CONECT   23   22   16   70   71                                       
CONECT   24   25   25   22   72                                       
CONECT   25   24   24   26   73                                       
CONECT   26   25   20   20   74                                       
CONECT   27   28   44   14   14                                       
CONECT   28   46   29   27   75                                       
CONECT   29   30   28   76   77                                       
CONECT   30   31   29   78   79                                       
CONECT   31   32   30   80   81                                       
CONECT   32   45   31   82   83                                       
CONECT   33   34   46   49   49                                       
CONECT   34   35   33   84   85                                       
CONECT   35   43   34   36   36                                       
CONECT   36   35   35   37   86                                       
CONECT   37   41   41   36   38                                       
CONECT   38   37   47   87   88                                       
CONECT   39    6    6   47   40                                       
CONECT   40   39   48   89   90                                       
CONECT   41   42   37   37   91                                       
CONECT   42   43   43   41   92                                       
CONECT   43   42   42   35   93                                       
CONECT   44    3   27   94                                            
CONECT   45   32   95   96                                            
CONECT   46   33   28   97                                            
CONECT   47   38   39   98                                            
CONECT   48   40   18   99                                            
CONECT   49   33   33                                                 
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   36                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
