REMARK  Name = BDB042774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.511   2.795  -1.022  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.631   1.944  -1.031  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.590   0.881  -0.017  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.571  -0.063  -0.083  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.514  -1.141   0.809  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -0.475  -2.083   0.775  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1       -0.740  -2.978   1.187  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.189  -2.219  -0.525  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1        0.627  -0.872  -1.122  0.00  0.00    +0.087 C 
ATOM     10  C   LIG    1       -2.458  -1.186   1.839  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -3.469  -0.226   1.913  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -4.375  -0.305   2.895  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.550   0.095  -1.128  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -0.601   1.026  -2.035  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -3.554   0.804   0.987  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -1.641   1.907  -1.986  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -1.647   2.642  -2.688  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        1.869  -0.224  -0.515  0.00  0.00    -0.034 A 
ATOM     19  C   LIG    1        2.252  -0.393   0.823  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        3.391   0.240   1.321  0.00  0.00    +0.142 A 
ATOM     21  F   LIG    1        3.722   0.045   2.607  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        4.167   1.057   0.505  0.00  0.00    +0.076 A 
ATOM     23 CL   LIG    1        5.573   1.837   1.118  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1        3.799   1.248  -0.824  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        2.658   0.615  -1.327  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
TORSDOF 1