REMARK  Name = BDB044037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.158  -1.306   0.150  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        1.994  -0.590  -0.515  0.00  0.00    +0.175 C 
ATOM      3  O   LIG    1        0.753  -1.169  -0.042  0.00  0.00    -0.488 OA
ATOM      4  C   LIG    1       -0.119  -0.113   0.038  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1        0.516   1.118  -0.096  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.200   2.301  -0.049  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -1.578   2.219   0.129  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -2.230   0.990   0.269  0.00  0.00    +0.055 A 
ATOM      9  F   LIG    1       -2.299   3.348   0.181  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -1.492  -0.201   0.225  0.00  0.00    +0.081 A 
ATOM     11  C   LIG    1        1.978   0.914  -0.214  0.00  0.00    +0.083 C 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -2.165  -1.509   0.397  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -1.668  -2.436   1.020  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1       -3.398  -1.637  -0.185  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1       -3.720  -1.004  -0.903  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -3.795  -2.568  -0.169  0.00  0.00    +0.145 HD
ENDBRANCH  10  12
TORSDOF 1