REMARK  Name = BDB000593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.351   2.795   1.538  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1       -0.816   1.906   0.916  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -1.416   0.647   0.479  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.435  -0.071  -0.205  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.735  -1.311  -0.739  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.034  -1.808  -0.564  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.010  -1.068   0.132  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.777   0.642  -0.239  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -2.704   0.183   0.666  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.647   1.862   0.412  0.00  0.00    +0.291 C 
ATOM     11  O   LIG    1        1.477   2.731   0.574  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        2.007   0.206  -0.867  0.00  0.00    +0.124 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.116  -0.150   0.130  0.00  0.00    +0.094 C 
ATOM     14  I   LIG    1        2.743  -2.009   1.130  0.00  0.00    -0.084 I 
ENDBRANCH  12  13
ENDBRANCH   8  12
TORSDOF 2