REMARK  Name = BDB042809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.496  -2.370  -1.220  0.00  0.00    -0.290 OA
ATOM      2  C   LIG    1       -3.443  -1.742  -1.137  0.00  0.00    +0.185 C 
ATOM      3  C   LIG    1       -2.566  -1.963   0.021  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -1.405  -1.212   0.151  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.527  -1.409   1.228  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.619  -0.634   1.393  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        1.294  -0.976   2.073  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        1.200  -0.009   0.191  0.00  0.00    +0.089 C 
ATOM      9  C   LIG    1        0.087   0.746  -0.585  0.00  0.00    +0.091 C 
ATOM     10  C   LIG    1       -0.887  -2.335   2.211  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -2.056  -3.082   2.079  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -2.373  -3.976   3.023  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.115  -0.164  -0.838  0.00  0.00    +0.055 C 
ATOM     14  N   LIG    1       -1.825   0.039  -1.891  0.00  0.00    -0.279 NA
ATOM     15  C   LIG    1       -2.897  -2.912   0.989  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1       -2.999  -0.777  -2.210  0.00  0.00    +0.221 C 
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -0.269   2.076   0.077  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        0.603   3.162  -0.107  0.00  0.00    +0.130 A 
ATOM     19  F   LIG    1        1.710   3.000  -0.849  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        0.364   4.404   0.466  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1       -0.769   4.570   1.247  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1       -1.015   5.760   1.809  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -1.652   3.517   1.460  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -1.403   2.270   0.879  0.00  0.00    +0.010 A 
ENDBRANCH   9  17
BRANCH   8  25
ATOM     25  C   LIG    1        1.948  -1.058  -0.686  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1        3.068  -1.771   0.065  0.00  0.00    +0.165 C 
ATOM     27  O   LIG    1        4.209  -0.905   0.013  0.00  0.00    -0.379 OA
ATOM     28  C   LIG    1        4.058  -0.031  -1.113  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1        2.769  -0.430  -1.806  0.00  0.00    +0.035 C 
ENDBRANCH   8  25
TORSDOF 2