REMARK  Name = BDB031245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.463   1.357  -0.707  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1        4.353   0.883  -0.542  0.00  0.00    +0.325 A 
ATOM      3  N   LIG    1        3.129   1.560  -0.644  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1        3.048   2.536  -0.875  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        2.099   0.662  -0.384  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        2.670  -0.579  -0.118  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        1.911  -1.683   0.175  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.520  -1.501   0.195  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.086  -0.239  -0.073  0.00  0.00    -0.013 A 
ATOM     10  C   LIG    1        0.738   0.865  -0.370  0.00  0.00    +0.036 A 
ATOM     11  N   LIG    1        4.050  -0.446  -0.213  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        4.745  -1.163  -0.079  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.554  -0.090  -0.035  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.407  -0.958  -0.739  0.00  0.00    +0.131 A 
ATOM     15  F   LIG    1       -1.897  -1.952  -1.482  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -3.796  -0.817  -0.705  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -4.367   0.207   0.045  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -3.540   1.073   0.750  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1       -4.084   2.058   1.476  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -2.153   0.935   0.717  0.00  0.00    +0.049 A 
ENDBRANCH   9  13
TORSDOF 1