REMARK  Name = BDB000622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.746  -0.117   0.393  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.543  -0.082   0.267  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1        1.672   1.186   0.040  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        2.044   2.333  -0.048  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1        0.295   0.695  -0.046  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.345  -0.689   0.110  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -0.801  -1.453   0.077  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.016  -0.782  -0.119  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -2.052   0.620  -0.276  0.00  0.00    +0.014 A 
ATOM     10  I   LIG    1       -3.883   1.566  -0.566  0.00  0.00    -0.044 I 
ATOM     11  C   LIG    1       -0.884   1.384  -0.241  0.00  0.00    +0.028 A 
ATOM     12  N   LIG    1        1.650  -1.136   0.292  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1        1.941  -2.094   0.426  0.00  0.00    +0.155 HD
ENDROOT
TORSDOF 0