REMARK  Name = BDB031246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.430   1.607  -0.221  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1        4.334   1.077  -0.193  0.00  0.00    +0.325 A 
ATOM      3  N   LIG    1        3.090   1.726  -0.207  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1        2.982   2.726  -0.248  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        2.085   0.766  -0.165  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        2.691  -0.486  -0.124  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        1.962  -1.648  -0.080  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.567  -1.514  -0.077  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.075  -0.242  -0.118  0.00  0.00    -0.013 A 
ATOM     10  C   LIG    1        0.718   0.923  -0.163  0.00  0.00    +0.036 A 
ATOM     11  N   LIG    1        4.068  -0.298  -0.140  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        4.783  -1.007  -0.123  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.547  -0.145  -0.105  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -2.345  -0.869  -1.010  0.00  0.00    +0.134 A 
ATOM     15  F   LIG    1       -1.772  -1.669  -1.923  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -3.734  -0.780  -1.003  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1       -4.349   0.045  -0.076  0.00  0.00    +0.126 A 
ATOM     18  F   LIG    1       -5.685   0.139  -0.059  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -3.601   0.777   0.838  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -2.206   0.683   0.823  0.00  0.00    +0.014 A 
ENDBRANCH   9  13
TORSDOF 1