COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       9.609  -0.150   0.732  1.00  0.00           C  
HETATM    2  O   UNK A   0       9.737   0.034   1.926  1.00  0.00           O  
HETATM    3  O   UNK A   0      10.698  -0.293  -0.048  1.00  0.00           O  
HETATM    4  C   UNK A   0      11.992  -0.215   0.607  1.00  0.00           C  
HETATM    5  C   UNK A   0      13.084  -0.396  -0.416  1.00  0.00           C  
HETATM    6  C   UNK A   0      13.607   0.704  -1.070  1.00  0.00           C  
HETATM    7  C   UNK A   0      14.609   0.538  -2.009  1.00  0.00           C  
HETATM    8  C   UNK A   0      15.087  -0.728  -2.292  1.00  0.00           C  
HETATM    9  C   UNK A   0      14.565  -1.827  -1.637  1.00  0.00           C  
HETATM   10  C   UNK A   0      13.566  -1.661  -0.696  1.00  0.00           C  
ATOM     11  N   THR A   1       8.378  -0.218   0.188  1.00  0.00           N  
ATOM     12  CA  THR A   1       7.193  -0.069   1.037  1.00  0.00           C  
ATOM     13  C   THR A   1       6.038   0.425   0.205  1.00  0.00           C  
ATOM     14  O   THR A   1       6.177   0.588  -0.989  1.00  0.00           O  
ATOM     15  CB  THR A   1       6.835  -1.422   1.655  1.00  0.00           C  
ATOM     16  OG1 THR A   1       6.570  -2.365   0.614  1.00  0.00           O  
ATOM     17  CG2 THR A   1       8.004  -1.919   2.508  1.00  0.00           C  
HETATM   18  N   UNK A   2       4.851   0.686   0.787  1.00  0.00           N  
HETATM   19  C   UNK A   2       3.698   1.061  -0.035  1.00  0.00           C  
HETATM   20  C   UNK A   2       2.426   0.708   0.692  1.00  0.00           C  
HETATM   21  O   UNK A   2       2.478   0.194   1.789  1.00  0.00           O  
HETATM   22  C   UNK A   2       3.731   2.567  -0.304  1.00  0.00           C  
HETATM   23  O   UNK A   2       3.564   3.274   0.927  1.00  0.00           O  
HETATM   24  N   UNK A   2       1.232   0.964   0.123  1.00  0.00           N  
HETATM   25  C   UNK A   2      -0.005   0.621   0.830  1.00  0.00           C  
HETATM   26  C   UNK A   2      -1.114   0.416  -0.169  1.00  0.00           C  
HETATM   27  O   UNK A   2      -0.894   0.543  -1.355  1.00  0.00           O  
HETATM   28  C   UNK A   2      -0.380   1.758   1.782  1.00  0.00           C  
HETATM   29  N   UNK A   2      -2.352   0.090   0.255  1.00  0.00           N  
HETATM   30  C   UNK A   2      -3.430  -0.109  -0.716  1.00  0.00           C  
HETATM   31  C   UNK A   2      -4.758   0.147  -0.052  1.00  0.00           C  
HETATM   32  O   UNK A   2      -4.827   0.225   1.157  1.00  0.00           O  
HETATM   33  C   UNK A   2      -3.389  -1.548  -1.235  1.00  0.00           C  
HETATM   34  C   UNK A   2      -4.508  -1.752  -2.259  1.00  0.00           C  
HETATM   35  C   UNK A   2      -2.036  -1.812  -1.899  1.00  0.00           C  
HETATM   36  N   UNK A   2      -5.870   0.291  -0.800  1.00  0.00           N  
HETATM   37  C   UNK A   2      -7.140   0.648  -0.164  1.00  0.00           C  
HETATM   38  C   UNK A   2      -8.282   0.092  -0.976  1.00  0.00           C  
HETATM   39  O   UNK A   2      -8.099  -0.250  -2.125  1.00  0.00           O  
HETATM   40  C   UNK A   2      -7.263   2.171  -0.087  1.00  0.00           C  
HETATM   41  C   UNK A   2      -8.537   2.542   0.674  1.00  0.00           C  
HETATM   42  C   UNK A   2      -8.400   2.114   2.136  1.00  0.00           C  
HETATM   43  C   UNK A   2      -8.750   4.056   0.604  1.00  0.00           C  
HETATM   44  C   UNK A   2     -11.231   0.732  -1.956  1.00  0.00           C  
HETATM   45  N   UNK A   2     -10.726   1.895  -1.784  1.00  0.00           N  
HETATM   46  C   UNK A   2     -10.640  -0.459  -1.245  1.00  0.00           C  
HETATM   47  N   UNK A   2      -9.506  -0.025  -0.425  1.00  0.00           N  
HETATM   48  C   UNK A   2     -11.703  -1.098  -0.349  1.00  0.00           C  
HETATM   49  C   UNK A   2     -11.142  -2.377   0.275  1.00  0.00           C  
HETATM   50  C   UNK A   2     -12.189  -3.006   1.158  1.00  0.00           C  
HETATM   51  O   UNK A   2     -13.276  -2.483   1.276  1.00  0.00           O  
HETATM   52  N   UNK A   2     -11.916  -4.150   1.816  1.00  0.00           N  
HETATM   53  H   UNK A   0      12.099   0.759   1.084  1.00  0.00           H  
HETATM   54  H   UNK A   0      12.066  -1.000   1.360  1.00  0.00           H  
HETATM   55  H   UNK A   0      13.233   1.692  -0.849  1.00  0.00           H  
HETATM   56  H   UNK A   0      15.017   1.397  -2.520  1.00  0.00           H  
HETATM   57  H   UNK A   0      15.869  -0.857  -3.026  1.00  0.00           H  
HETATM   58  H   UNK A   0      14.939  -2.816  -1.859  1.00  0.00           H  
HETATM   59  H   UNK A   0      13.161  -2.520  -0.182  1.00  0.00           H  
ATOM     60  H   THR A   1       8.276  -0.365  -0.765  1.00  0.00           H  
ATOM     61  HA  THR A   1       7.403   0.649   1.830  1.00  0.00           H  
ATOM     62  HB  THR A   1       5.949  -1.312   2.280  1.00  0.00           H  
ATOM     63  HG1 THR A   1       5.839  -2.114   0.033  1.00  0.00           H  
ATOM     64 HG21 THR A   1       8.275  -1.152   3.234  1.00  0.00           H  
ATOM     65 HG22 THR A   1       7.710  -2.828   3.032  1.00  0.00           H  
ATOM     66 HG23 THR A   1       8.859  -2.130   1.865  1.00  0.00           H  
HETATM   67  H   UNK A   2       4.760   0.626   1.751  1.00  0.00           H  
HETATM   68  H   UNK A   2       3.737   0.522  -0.982  1.00  0.00           H  
HETATM   69  H   UNK A   2       4.689   2.835  -0.750  1.00  0.00           H  
HETATM   70  H   UNK A   2       2.925   2.832  -0.988  1.00  0.00           H  
HETATM   71  H   UNK A   2       3.575   4.236   0.832  1.00  0.00           H  
HETATM   72  H   UNK A   2       1.191   1.375  -0.755  1.00  0.00           H  
HETATM   73  H   UNK A   2       0.145  -0.296   1.400  1.00  0.00           H  
HETATM   74  H   UNK A   2      -1.300   1.503   2.308  1.00  0.00           H  
HETATM   75  H   UNK A   2       0.423   1.907   2.505  1.00  0.00           H  
HETATM   76  H   UNK A   2      -0.530   2.675   1.212  1.00  0.00           H  
HETATM   77  H   UNK A   2      -2.528  -0.012   1.204  1.00  0.00           H  
HETATM   78  H   UNK A   2      -3.301   0.582  -1.549  1.00  0.00           H  
HETATM   79  H   UNK A   2      -3.527  -2.238  -0.403  1.00  0.00           H  
HETATM   80  H   UNK A   2      -4.390  -1.038  -3.074  1.00  0.00           H  
HETATM   81  H   UNK A   2      -4.457  -2.767  -2.654  1.00  0.00           H  
HETATM   82  H   UNK A   2      -5.473  -1.598  -1.777  1.00  0.00           H  
HETATM   83  H   UNK A   2      -1.239  -1.666  -1.170  1.00  0.00           H  
HETATM   84  H   UNK A   2      -2.007  -2.837  -2.269  1.00  0.00           H  
HETATM   85  H   UNK A   2      -1.898  -1.121  -2.731  1.00  0.00           H  
HETATM   86  H   UNK A   2      -5.828   0.159  -1.760  1.00  0.00           H  
HETATM   87  H   UNK A   2      -7.173   0.229   0.842  1.00  0.00           H  
HETATM   88  H   UNK A   2      -6.396   2.579   0.433  1.00  0.00           H  
HETATM   89  H   UNK A   2      -7.309   2.583  -1.095  1.00  0.00           H  
HETATM   90  H   UNK A   2      -9.390   2.034   0.225  1.00  0.00           H  
HETATM   91  H   UNK A   2      -9.264   2.466   2.701  1.00  0.00           H  
HETATM   92  H   UNK A   2      -8.348   1.026   2.193  1.00  0.00           H  
HETATM   93  H   UNK A   2      -7.491   2.544   2.558  1.00  0.00           H  
HETATM   94  H   UNK A   2      -8.847   4.361  -0.438  1.00  0.00           H  
HETATM   95  H   UNK A   2      -9.657   4.320   1.147  1.00  0.00           H  
HETATM   96  H   UNK A   2      -7.897   4.564   1.053  1.00  0.00           H  
HETATM   97  H   UNK A   2     -12.081   0.603  -2.610  1.00  0.00           H  
HETATM   98  H   UNK A   2     -11.107   2.661  -2.241  1.00  0.00           H  
HETATM   99  H   UNK A   2     -10.299  -1.188  -1.980  1.00  0.00           H  
HETATM  100  H   UNK A   2      -9.637   0.179   0.514  1.00  0.00           H  
HETATM  101  H   UNK A   2     -11.980  -0.399   0.440  1.00  0.00           H  
HETATM  102  H   UNK A   2     -12.583  -1.340  -0.945  1.00  0.00           H  
HETATM  103  H   UNK A   2     -10.865  -3.075  -0.514  1.00  0.00           H  
HETATM  104  H   UNK A   2     -10.262  -2.134   0.871  1.00  0.00           H  
HETATM  105  H   UNK A   2     -11.046  -4.568   1.722  1.00  0.00           H  
HETATM  106  H   UNK A   2     -12.590  -4.555   2.384  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   53   54                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   55                                       
CONECT    7    6    8    8   56                                       
CONECT    8    7    7    9   57                                       
CONECT    9    8   10   10   58                                       
CONECT   10    5    9    9   59                                       
CONECT   11   12   60    1                                            
CONECT   12   11   13   15   61                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   62                                       
CONECT   16   15   63                                                 
CONECT   17   15   64   65   66                                       
CONECT   18   19   67   13                                            
CONECT   19   18   20   22   68                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   69   70                                       
CONECT   23   22   71                                                 
CONECT   24   25   72   20                                            
CONECT   25   24   26   28   73                                       
CONECT   26   25   27   27   29                                       
CONECT   27   26   26                                                 
CONECT   28   25   74   75   76                                       
CONECT   29   30   77   26                                            
CONECT   30   29   31   33   78                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31                                                 
CONECT   33   30   34   35   79                                       
CONECT   34   33   80   81   82                                       
CONECT   35   33   83   84   85                                       
CONECT   36   37   86   31                                            
CONECT   37   36   38   40   87                                       
CONECT   38   37   39   39   47                                       
CONECT   39   38   38                                                 
CONECT   40   37   41   88   89                                       
CONECT   41   40   42   43   90                                       
CONECT   42   41   91   92   93                                       
CONECT   43   41   94   95   96                                       
CONECT   44   46   45   45   97                                       
CONECT   45   44   44   98                                            
CONECT   46   48   47   44   99                                       
CONECT   47   46  100   38                                            
CONECT   48   49   46  101  102                                       
CONECT   49   50   48  103  104                                       
CONECT   50   51   51   52   49                                       
CONECT   51   50   50                                                 
CONECT   52   50  105  106                                            
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   48                                                      
CONECT  102   48                                                      
CONECT  103   49                                                      
CONECT  104   49                                                      
CONECT  105   52                                                      
CONECT  106   52                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
