COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       7.511   0.543   1.204  1.00  0.00           C  
HETATM    2  O   UNK A   0       6.667   1.011   1.938  1.00  0.00           O  
HETATM    3  C   UNK A   0       8.842   0.112   1.765  1.00  0.00           C  
HETATM    4  N   UNK A   0       7.258   0.404  -0.112  1.00  0.00           N  
HETATM    5  C   UNK A   0       6.006   0.776  -0.788  1.00  0.00           C  
HETATM    6  C   UNK A   0       4.854   0.007  -0.193  1.00  0.00           C  
HETATM    7  O   UNK A   0       5.065  -0.998   0.452  1.00  0.00           O  
HETATM    8  C   UNK A   0       6.165   0.412  -2.279  1.00  0.00           C  
HETATM    9  C   UNK A   0       7.282  -0.663  -2.258  1.00  0.00           C  
HETATM   10  C   UNK A   0       8.192  -0.141  -1.114  1.00  0.00           C  
ATOM     11  N   THR A   1       3.590   0.436  -0.377  1.00  0.00           N  
ATOM     12  CA  THR A   1       2.471  -0.311   0.201  1.00  0.00           C  
ATOM     13  C   THR A   1       1.222  -0.044  -0.599  1.00  0.00           C  
ATOM     14  O   THR A   1       1.263   0.698  -1.557  1.00  0.00           O  
ATOM     15  CB  THR A   1       2.255   0.134   1.649  1.00  0.00           C  
ATOM     16  OG1 THR A   1       1.846   1.503   1.671  1.00  0.00           O  
ATOM     17  CG2 THR A   1       3.561  -0.022   2.431  1.00  0.00           C  
HETATM   18  N   UNK A   2       0.059  -0.629  -0.248  1.00  0.00           N  
HETATM   19  C   UNK A   2      -1.155  -0.369  -1.026  1.00  0.00           C  
HETATM   20  C   UNK A   2      -2.365  -0.591  -0.156  1.00  0.00           C  
HETATM   21  O   UNK A   2      -2.227  -0.932   1.000  1.00  0.00           O  
HETATM   22  C   UNK A   2      -1.207  -1.319  -2.224  1.00  0.00           C  
HETATM   23  O   UNK A   2      -1.336  -2.664  -1.759  1.00  0.00           O  
HETATM   24  C   UNK A   2      -5.150  -2.109   0.171  1.00  0.00           C  
HETATM   25  N   UNK A   2      -3.601  -0.409  -0.662  1.00  0.00           N  
HETATM   26  O   UNK A   2      -6.298  -2.319   0.996  1.00  0.00           O  
HETATM   27  C   UNK A   2      -4.778  -0.625   0.184  1.00  0.00           C  
HETATM   28  C   UNK A   2      -5.950   0.199  -0.353  1.00  0.00           C  
HETATM   29  C   UNK A   2      -5.632   1.667  -0.227  1.00  0.00           C  
HETATM   30  O   UNK A   2      -4.761   5.684   0.118  1.00  0.00           O  
HETATM   31  C   UNK A   2      -5.049   4.361   0.004  1.00  0.00           C  
HETATM   32  C   UNK A   2      -4.994   2.326  -1.262  1.00  0.00           C  
HETATM   33  C   UNK A   2      -5.983   2.353   0.921  1.00  0.00           C  
HETATM   34  C   UNK A   2      -4.702   3.671  -1.149  1.00  0.00           C  
HETATM   35  C   UNK A   2      -5.693   3.698   1.039  1.00  0.00           C  
HETATM   36  C   UNK A   2      -3.978  -2.933   0.709  1.00  0.00           C  
HETATM   37 CL   UNK A   2      -4.359  -4.689   0.558  1.00  0.00          Cl  
HETATM   38  H   UNK A   0       8.861   0.296   2.839  1.00  0.00           H  
HETATM   39  H   UNK A   0       8.989  -0.951   1.576  1.00  0.00           H  
HETATM   40  H   UNK A   0       9.640   0.680   1.285  1.00  0.00           H  
HETATM   41  H   UNK A   0       5.831   1.846  -0.681  1.00  0.00           H  
HETATM   42  H   UNK A   0       5.238  -0.002  -2.676  1.00  0.00           H  
HETATM   43  H   UNK A   0       6.477   1.282  -2.857  1.00  0.00           H  
HETATM   44  H   UNK A   0       6.875  -1.646  -2.020  1.00  0.00           H  
HETATM   45  H   UNK A   0       7.822  -0.685  -3.205  1.00  0.00           H  
HETATM   46  H   UNK A   0       8.854   0.642  -1.481  1.00  0.00           H  
HETATM   47  H   UNK A   0       8.771  -0.960  -0.687  1.00  0.00           H  
ATOM     48  H   THR A   1       3.422   1.240  -0.893  1.00  0.00           H  
ATOM     49  HA  THR A   1       2.695  -1.377   0.178  1.00  0.00           H  
ATOM     50  HB  THR A   1       1.481  -0.483   2.107  1.00  0.00           H  
ATOM     51  HG1 THR A   1       2.488   2.111   1.278  1.00  0.00           H  
ATOM     52 HG21 THR A   1       4.334   0.595   1.973  1.00  0.00           H  
ATOM     53 HG22 THR A   1       3.407   0.295   3.462  1.00  0.00           H  
ATOM     54 HG23 THR A   1       3.872  -1.066   2.414  1.00  0.00           H  
HETATM   55  H   UNK A   2       0.027  -1.222   0.518  1.00  0.00           H  
HETATM   56  H   UNK A   2      -1.146   0.662  -1.380  1.00  0.00           H  
HETATM   57  H   UNK A   2      -2.062  -1.067  -2.850  1.00  0.00           H  
HETATM   58  H   UNK A   2      -0.290  -1.222  -2.805  1.00  0.00           H  
HETATM   59  H   UNK A   2      -1.375  -3.323  -2.467  1.00  0.00           H  
HETATM   60  H   UNK A   2      -3.712  -0.136  -1.586  1.00  0.00           H  
HETATM   61  H   UNK A   2      -4.554  -0.315   1.204  1.00  0.00           H  
HETATM   62  H   UNK A   2      -6.117  -0.048  -1.402  1.00  0.00           H  
HETATM   63  H   UNK A   2      -6.848  -0.029   0.221  1.00  0.00           H  
HETATM   64  H   UNK A   2      -5.462   6.268  -0.205  1.00  0.00           H  
HETATM   65  H   UNK A   2      -4.724   1.789  -2.159  1.00  0.00           H  
HETATM   66  H   UNK A   2      -6.485   1.836   1.726  1.00  0.00           H  
HETATM   67  H   UNK A   2      -4.200   4.185  -1.956  1.00  0.00           H  
HETATM   68  H   UNK A   2      -5.964   4.233   1.937  1.00  0.00           H  
HETATM   69  H   UNK A   2      -6.170  -2.065   1.921  1.00  0.00           H  
HETATM   70  H   UNK A   2      -5.374  -2.419  -0.849  1.00  0.00           H  
HETATM   71  H   UNK A   2      -3.080  -2.705   0.134  1.00  0.00           H  
HETATM   72  H   UNK A   2      -3.811  -2.686   1.757  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   38   39   40                                       
CONECT    4    5   10    1                                            
CONECT    5    4    6    8   41                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   42   43                                       
CONECT    9    8   10   44   45                                       
CONECT   10    4    9   46   47                                       
CONECT   11   12   48    6                                            
CONECT   12   11   13   15   49                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   50                                       
CONECT   16   15   51                                                 
CONECT   17   15   52   53   54                                       
CONECT   18   19   55   13                                            
CONECT   19   18   20   22   56                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   57   58                                       
CONECT   23   22   59                                                 
CONECT   24   26   27   70   36                                       
CONECT   25   27   60   20                                            
CONECT   26   24   69                                                 
CONECT   27   24   25   28   61                                       
CONECT   28   27   29   62   63                                       
CONECT   29   28   32   32   33                                       
CONECT   30   31   64                                                 
CONECT   31   30   34   34   35                                       
CONECT   32   29   29   34   65                                       
CONECT   33   29   35   35   66                                       
CONECT   34   31   31   32   67                                       
CONECT   35   31   33   33   68                                       
CONECT   36   37   71   72   24                                       
CONECT   37   36                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   26                                                      
CONECT   70   24                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
