COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       0.896  -4.292  -1.401  1.00  0.00           C  
HETATM    2  C   UNK A   0       1.500  -3.072  -0.754  1.00  0.00           C  
HETATM    3  O   UNK A   0       2.065  -3.169   0.314  1.00  0.00           O  
HETATM    4  N   UNK A   1       1.412  -1.873  -1.363  1.00  0.00           N  
HETATM    5  C   UNK A   1       2.000  -0.687  -0.734  1.00  0.00           C  
HETATM    6  C   UNK A   1       1.347  -0.457   0.630  1.00  0.00           C  
HETATM    7  C   UNK A   1      -0.111  -0.127   0.440  1.00  0.00           C  
HETATM    8  C   UNK A   1      -1.051  -1.140   0.419  1.00  0.00           C  
HETATM    9  C   UNK A   1      -2.389  -0.840   0.245  1.00  0.00           C  
HETATM   10  C   UNK A   1      -0.507   1.190   0.293  1.00  0.00           C  
HETATM   11  C   UNK A   1      -1.843   1.495   0.113  1.00  0.00           C  
HETATM   12  C   UNK A   1      -2.788   0.480   0.091  1.00  0.00           C  
HETATM   13  O   UNK A   1      -4.103   0.778  -0.080  1.00  0.00           O  
HETATM   14  I   UNK A   1      -3.813  -2.377   0.213  1.00  0.00           I  
HETATM   15  I   UNK A   1      -2.440   3.490  -0.117  1.00  0.00           I  
HETATM   16  C   UNK A   1       3.481  -0.896  -0.554  1.00  0.00           C  
HETATM   17  O   UNK A   1       3.941  -2.018  -0.564  1.00  0.00           O  
ATOM     18  N   THR A   2       4.295   0.164  -0.380  1.00  0.00           N  
ATOM     19  CA  THR A   2       5.735  -0.039  -0.205  1.00  0.00           C  
ATOM     20  CB  THR A   2       6.034  -0.324   1.268  1.00  0.00           C  
ATOM     21  OG1 THR A   2       5.717   0.830   2.050  1.00  0.00           O  
ATOM     22  CG2 THR A   2       7.518  -0.659   1.432  1.00  0.00           C  
ATOM     23  C   THR A   2       6.474   1.201  -0.637  1.00  0.00           C  
ATOM     24  O   THR A   2       7.814   1.244  -0.564  1.00  0.00           O  
ATOM     25  OXT THR A   2       5.860   2.157  -1.049  1.00  0.00           O  
HETATM   26  H   UNK A   0       0.435  -4.010  -2.348  1.00  0.00           H  
HETATM   27  H   UNK A   0       1.676  -5.031  -1.582  1.00  0.00           H  
HETATM   28  H   UNK A   0       0.139  -4.716  -0.741  1.00  0.00           H  
HETATM   29  H   UNK A   1       0.960  -1.795  -2.218  1.00  0.00           H  
HETATM   30  H   UNK A   1       1.830   0.183  -1.369  1.00  0.00           H  
HETATM   31  H   UNK A   1       1.439  -1.360   1.234  1.00  0.00           H  
HETATM   32  H   UNK A   1       1.844   0.370   1.136  1.00  0.00           H  
HETATM   33  H   UNK A   1      -0.740  -2.168   0.539  1.00  0.00           H  
HETATM   34  H   UNK A   1       0.230   1.979   0.311  1.00  0.00           H  
HETATM   35  H   UNK A   1      -4.476   0.915   0.802  1.00  0.00           H  
ATOM     36  H   THR A   2       3.927   1.062  -0.372  1.00  0.00           H  
ATOM     37  HA  THR A   2       6.060  -0.885  -0.811  1.00  0.00           H  
ATOM     38  HB  THR A   2       5.432  -1.168   1.605  1.00  0.00           H  
ATOM     39  HG1 THR A   2       5.920   0.608   2.970  1.00  0.00           H  
ATOM     40 HG21 THR A   2       7.731  -0.861   2.482  1.00  0.00           H  
ATOM     41 HG22 THR A   2       7.760  -1.538   0.836  1.00  0.00           H  
ATOM     42 HG23 THR A   2       8.120   0.185   1.096  1.00  0.00           H  
ATOM     43  H   THR A   2       8.288   2.040  -0.841  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   29                                            
CONECT    5    4    6   16   30                                       
CONECT    6    5    7   31   32                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   12   12   14                                       
CONECT   10    7   11   11   34                                       
CONECT   11   10   10   12   15                                       
CONECT   12    9    9   11   13                                       
CONECT   13   12   35                                                 
CONECT   14    9                                                      
CONECT   15   11                                                      
CONECT   16    5   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   36                                            
CONECT   19   18   20   23   37                                       
CONECT   20   19   21   22   38                                       
CONECT   21   20   39                                                 
CONECT   22   20   40   41   42                                       
CONECT   23   19   24   25   25                                       
CONECT   24   23   43                                                 
CONECT   25   23   23                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
