REMARK  Name = BDB062870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.222  -1.291  -0.074  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.178  -0.070  -0.108  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1       -1.017   0.777   0.577  0.00  0.00    -0.295 N 
ATOM      4  H   LIG    1       -0.961   1.769   0.394  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.833   0.607  -0.934  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.190   0.530  -0.652  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.963  -0.099   0.408  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1        4.332   0.162   0.196  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.449   0.984  -1.023  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        5.471   1.412  -1.515  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        5.342  -0.286   1.024  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        4.949  -1.036   2.123  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1        5.879  -1.500   2.967  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        3.598  -1.317   2.374  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        2.594  -0.847   1.515  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        3.076   1.194  -1.521  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        2.679   1.918  -2.634  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.313   1.982  -2.901  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        0.395   1.331  -2.060  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  CA  LIG    1       -2.211   0.292   1.268  0.00  0.00    +0.213 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.324  -0.018   0.278  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.298   0.957  -0.004  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -5.309   0.710  -0.935  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.359  -0.510  -1.605  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.396  -1.482  -1.346  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.385  -1.238  -0.415  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -1.903  -0.766   2.346  0.00  0.00    +0.330 C 
ATOM     28  O   LIG    1       -0.867  -0.852   2.994  0.00  0.00    -0.249 OA
BRANCH  27  29
ATOM     29  OXT LIG    1       -2.935  -1.579   2.653  0.00  0.00    -0.479 OA
ATOM     30  HXT LIG    1       -2.568  -2.175   3.339  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH   3  20
TORSDOF 5