REMARK  Name = BDB044039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.075  -1.365  -0.543  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        2.088  -0.495   0.219  0.00  0.00    +0.175 C 
ATOM      3  O   LIG    1        0.785  -1.129   0.195  0.00  0.00    -0.488 OA
ATOM      4  C   LIG    1       -0.102  -0.082   0.177  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1        0.506   1.127  -0.143  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.234   2.291  -0.260  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -1.606   2.213  -0.035  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -2.231   1.004   0.287  0.00  0.00    +0.055 A 
ATOM      9  F   LIG    1       -2.348   3.324  -0.133  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -1.471  -0.169   0.389  0.00  0.00    +0.081 A 
ATOM     11  C   LIG    1        1.952   0.909  -0.384  0.00  0.00    +0.083 C 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -2.115  -1.452   0.750  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -1.598  -2.264   1.503  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1       -3.343  -1.690   0.193  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1       -3.672  -1.176  -0.612  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -3.718  -2.619   0.340  0.00  0.00    +0.145 HD
ENDBRANCH  10  12
TORSDOF 1