REMARK  Name = BDB044038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.173  -1.279  -0.027  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        1.968  -0.572  -0.625  0.00  0.00    +0.175 C 
ATOM      3  O   LIG    1        0.760  -1.162  -0.084  0.00  0.00    -0.488 OA
ATOM      4  C   LIG    1       -0.115  -0.114   0.044  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1        0.501   1.122  -0.124  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.221   2.299  -0.037  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -1.587   2.206   0.218  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -2.219   0.971   0.393  0.00  0.00    +0.055 A 
ATOM      9  F   LIG    1       -2.313   3.327   0.310  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -1.474  -0.214   0.307  0.00  0.00    +0.081 A 
ATOM     11  C   LIG    1        1.956   0.931  -0.324  0.00  0.00    +0.083 C 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -2.125  -1.527   0.516  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -1.587  -2.450   1.110  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1       -3.388  -1.666   0.004  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1       -3.755  -1.036  -0.695  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -3.775  -2.601   0.041  0.00  0.00    +0.145 HD
ENDBRANCH  10  12
TORSDOF 1