COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.560   0.531   0.593  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.807   0.386  -0.241  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.993   0.058   0.668  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.216  -0.197  -0.174  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.884  -1.316  -0.037  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.107  -1.571  -0.880  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.945  -2.897  -1.626  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.900  -4.048  -0.618  1.00  0.00           C  
HETATM    9  C   UNL     1     -12.128  -3.097  -2.575  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.080   1.697  -0.982  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.122   2.851   0.021  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.967   1.947  -2.002  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.648   0.756   1.781  1.00  0.00           O  
HETATM   14  N   UNL     1      -4.347   0.406   0.019  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.139   0.420   0.847  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.870  -0.988   1.380  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.002  -1.403   2.322  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.799  -2.855   2.757  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.998  -0.496   3.554  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.967   0.877   0.018  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.124   1.162  -1.150  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.742   0.967   0.575  1.00  0.00           N  
HETATM   23  C   UNL     1       0.398   1.411  -0.231  1.00  0.00           C  
HETATM   24  C   UNL     1       0.450   2.940  -0.242  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.787   3.487  -0.956  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.735   5.017  -0.967  1.00  0.00           C  
HETATM   27  O   UNL     1       1.675   0.420   1.483  1.00  0.00           O  
HETATM   28  C   UNL     1       1.673   0.869   0.362  1.00  0.00           C  
HETATM   29  O   UNL     1       2.930   1.337  -1.563  1.00  0.00           O  
HETATM   30  N   UNL     1       4.073   0.402   0.094  1.00  0.00           N  
HETATM   31  C   UNL     1       5.310   0.419  -0.690  1.00  0.00           C  
HETATM   32  C   UNL     1       6.430  -0.175   0.125  1.00  0.00           C  
HETATM   33  O   UNL     1       6.215  -0.573   1.250  1.00  0.00           O  
HETATM   34  C   UNL     1       2.932   0.887  -0.436  1.00  0.00           C  
HETATM   35  N   UNL     1       7.669  -0.263  -0.396  1.00  0.00           N  
HETATM   36  CA  UNL     1       8.758  -0.840   0.396  1.00  0.00           C  
HETATM   37  C   UNL     1       9.816  -1.387  -0.527  1.00  0.00           C  
HETATM   38  C   UNL     1      10.439  -2.585  -0.231  1.00  0.00           C  
HETATM   39  C   UNL     1      10.160  -0.694  -1.672  1.00  0.00           C  
HETATM   40  C   UNL     1      11.410  -3.087  -1.078  1.00  0.00           C  
HETATM   41  C   UNL     1      11.130  -1.195  -2.519  1.00  0.00           C  
HETATM   42  C   UNL     1      11.757  -2.391  -2.220  1.00  0.00           C  
HETATM   43  C   UNL     1       9.360   0.226   1.275  1.00  0.00           C  
HETATM   44  OXT UNL     1      10.380  -0.076   2.093  1.00  0.00           O  
HETATM   45  O   UNL     1       8.924   1.352   1.242  1.00  0.00           O  
HETATM   46  H   UNL     1      -6.669  -0.418  -0.964  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.765  -0.831   1.256  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.181   0.898   1.337  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.542   0.542  -0.891  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.558  -2.055   0.679  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.987  -1.621  -0.238  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.228  -0.762  -1.600  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.018  -2.881  -2.199  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.785  -4.992  -1.149  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.057  -3.906   0.058  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.827  -4.064  -0.044  1.00  0.00           H  
HETATM   57  H   UNL     1     -12.160  -2.277  -3.293  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.013  -4.041  -3.106  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.055  -3.113  -2.002  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.038   1.629  -1.498  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.139   2.974   0.475  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.402   3.770  -0.494  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.856   2.632   0.797  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.926   1.117  -2.707  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.171   2.872  -2.542  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.012   2.032  -1.484  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.274   0.307  -0.944  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.281   1.104   1.684  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.817  -1.688   0.546  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.925  -0.997   1.923  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.957  -1.309   1.805  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.843  -2.950   3.273  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.605  -3.151   3.428  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.802  -3.501   1.878  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.143   0.539   3.245  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.805  -0.791   4.225  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.043  -0.590   4.071  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.616   0.739   1.509  1.00  0.00           H  
HETATM   79  H   UNL     1       0.286   1.044  -1.251  1.00  0.00           H  
HETATM   80  H   UNL     1       0.472   3.310   0.783  1.00  0.00           H  
HETATM   81  H   UNL     1       1.347   3.269  -0.767  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.809   3.117  -1.981  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.685   3.159  -0.432  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.617   5.407  -1.476  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.713   5.387   0.058  1.00  0.00           H  
HETATM   86  H   UNL     1       0.162   5.345  -1.492  1.00  0.00           H  
HETATM   87  H   UNL     1       4.074   0.041   0.994  1.00  0.00           H  
HETATM   88  H   UNL     1       5.172  -0.167  -1.599  1.00  0.00           H  
HETATM   89  H   UNL     1       5.558   1.447  -0.955  1.00  0.00           H  
HETATM   90  H   UNL     1       7.841   0.055  -1.296  1.00  0.00           H  
HETATM   91  HA  UNL     1       8.367  -1.646   1.018  1.00  0.00           H  
HETATM   92  H   UNL     1      10.168  -3.129   0.662  1.00  0.00           H  
HETATM   93  H   UNL     1       9.669   0.240  -1.906  1.00  0.00           H  
HETATM   94  H   UNL     1      11.898  -4.022  -0.846  1.00  0.00           H  
HETATM   95  H   UNL     1      11.399  -0.654  -3.414  1.00  0.00           H  
HETATM   96  H   UNL     1      12.516  -2.782  -2.882  1.00  0.00           H  
HETATM   97  HXT UNL     1      10.733   0.641   2.638  1.00  0.00           H  
CONECT    1    2   13   13   14                                       
CONECT    2    1   10    3   46                                       
CONECT    3    2    4   47   48                                       
CONECT    4    3    5    5   49                                       
CONECT    5    4    4    6   50                                       
CONECT    6    5    7   51   52                                       
CONECT    7    6    8    9   53                                       
CONECT    8    7   54   55   56                                       
CONECT    9    7   57   58   59                                       
CONECT   10    2   12   11   60                                       
CONECT   11   10   61   62   63                                       
CONECT   12   10   64   65   66                                       
CONECT   13    1    1                                                 
CONECT   14    1   15   67                                            
CONECT   15   14   20   16   68                                       
CONECT   16   15   17   69   70                                       
CONECT   17   16   19   18   71                                       
CONECT   18   17   72   73   74                                       
CONECT   19   17   75   76   77                                       
CONECT   20   15   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   78                                            
CONECT   23   22   24   28   79                                       
CONECT   24   23   25   80   81                                       
CONECT   25   24   26   82   83                                       
CONECT   26   25   84   85   86                                       
CONECT   27   28   28                                                 
CONECT   28   23   27   27   34                                       
CONECT   29   34   34                                                 
CONECT   30   31   34   87                                            
CONECT   31   30   32   88   89                                       
CONECT   32   31   33   33   35                                       
CONECT   33   32   32                                                 
CONECT   34   28   29   29   30                                       
CONECT   35   32   36   90                                            
CONECT   36   35   37   43   91                                       
CONECT   37   36   38   39   39                                       
CONECT   38   37   40   40   92                                       
CONECT   39   37   37   41   93                                       
CONECT   40   38   38   42   94                                       
CONECT   41   39   42   42   95                                       
CONECT   42   40   41   41   96                                       
CONECT   43   36   45   45   44                                       
CONECT   44   43   97                                                 
CONECT   45   43   43                                                 
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   44                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
