REMARK  Name = BDB045860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.413  -0.287  -0.087  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.536  -1.273  -0.399  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.890  -0.942  -0.489  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -2.290   0.370  -0.260  0.00  0.00    +0.123 A 
ATOM      5  F   LIG    1       -3.587   0.688  -0.345  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -1.363   1.356   0.064  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -0.007   1.029   0.155  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  11
ATOM      8  N   LIG    1        2.786   0.288  -0.153  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        3.743  -0.036  -0.218  0.00  0.00    +0.145 HD
ATOM     10  H   LIG    1        2.573   1.181  -0.573  0.00  0.00    +0.145 HD
ATOM     11  C   LIG    1        1.842  -0.690  -0.001  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        2.171  -1.858   0.166  0.00  0.00    -0.270 OA
ENDBRANCH   1  11
TORSDOF 1