REMARK  Name = BDB050621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.411  -0.587   0.116  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -2.840   0.703  -0.459  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -1.724   1.386  -0.982  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -1.847   2.629  -1.584  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -3.120   3.197  -1.659  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -4.227   2.516  -1.137  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -5.438   3.083  -1.220  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.575   0.513  -0.730  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1        0.694   0.788  -1.067  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -4.104   1.266  -0.533  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -1.077  -0.670  -0.051  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.840  -0.098  -0.799  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1        2.772   0.175   0.241  0.00  0.00    -0.008 A 
ATOM     14  C   LIG    1        3.857  -0.716   0.432  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        4.795  -0.471   1.451  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        4.676   0.638   2.286  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.616   1.518   2.115  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.978  -1.837  -0.404  0.00  0.00    +0.131 A 
ATOM     19  F   LIG    1        5.000  -2.691  -0.238  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        3.062  -2.099  -1.416  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        2.676   1.290   1.107  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.995  -1.230  -1.615  0.00  0.00    +0.011 A 
ENDBRANCH   9  12
BRANCH   1  23
ATOM     23  C   LIG    1       -3.375  -1.535   0.750  0.00  0.00    +0.156 C 
BRANCH  23  25
ATOM     24  O   LIG    1       -2.025  -3.541   0.363  0.00  0.00    -0.251 OA
ATOM     25  C   LIG    1       -2.846  -2.937   1.037  0.00  0.00    +0.309 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -3.439  -3.514   2.111  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1       -4.093  -2.954   2.568  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 4