REMARK  Name = BDB008451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.646   2.946   0.301  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.649   2.224   0.196  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        1.869   0.772   0.098  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        0.803  -0.118  -0.015  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.033  -1.496  -0.093  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.323  -2.032  -0.068  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.379  -1.127   0.041  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1        4.633  -1.599   0.070  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -0.199  -2.116  -0.186  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -0.340  -3.116  -0.252  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -1.181  -1.164  -0.165  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -2.645  -1.397  -0.234  0.00  0.00    +0.135 C 
ATOM     13  N   LIG    1       -3.335  -0.254   0.384  0.00  0.00    -0.305 NA
ATOM     14  H   LIG    1       -3.121  -0.252   1.382  0.00  0.00    +0.123 HD
ATOM     15  C   LIG    1       -2.885   1.049  -0.184  0.00  0.00    +0.139 C 
ATOM     16  C   LIG    1       -1.363   1.263  -0.036  0.00  0.00    +0.085 A 
ATOM     17  N   LIG    1       -0.894   2.464   0.073  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1       -0.576   0.069  -0.073  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        3.172   0.245   0.124  0.00  0.00    +0.052 A 
ATOM     20  N   LIG    1        0.412   2.841   0.183  0.00  0.00    -0.242 N 
ATOM     21  H   LIG    1        0.515   3.850   0.262  0.00  0.00    +0.192 HD
ENDROOT
TORSDOF 0