REMARK  Name = BDB046961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.286   1.558   0.207  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1       -1.141   1.574   0.316  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.610   0.263   0.146  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.992  -0.032   0.186  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.602  -1.372  -0.007  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -2.874  -2.523   0.122  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -3.450  -3.353   0.041  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -1.524  -2.662   0.613  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -0.518  -1.960  -0.279  0.00  0.00    +0.141 C 
ATOM     10  O   LIG    1       -4.798  -1.475  -0.276  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.881   1.041   0.399  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.431   2.343   0.574  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.489  -0.522  -0.058  0.00  0.00    -0.337 N 
ATOM     14  C   LIG    1       -2.067   2.618   0.533  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        0.662   0.243  -0.027  0.00  0.00    +0.055 A 
ENDROOT
BRANCH  15  16
ATOM     16  C   LIG    1        2.006  -0.288  -0.239  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        2.783  -0.696   0.853  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.069  -1.198   0.647  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.572  -1.285  -0.647  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        5.805  -1.768  -0.843  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.814  -0.878  -1.740  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        2.528  -0.376  -1.536  0.00  0.00    +0.013 A 
ENDBRANCH  15  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.187   2.746   0.321  0.00  0.00    +0.227 C 
BRANCH  23  25
ATOM     24  O   LIG    1        0.974   4.651  -0.897  0.00  0.00    -0.149 OA
ATOM     25  N   LIG    1        1.290   3.459  -0.987  0.00  0.00    -0.064 NA
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 3