REMARK  Name = BDB050602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.810  -0.457  -0.254  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -2.083   0.985  -0.395  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -0.875   1.708  -0.319  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -0.847   3.090  -0.422  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -2.060   3.758  -0.606  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -3.257   3.036  -0.683  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -4.407   3.700  -0.861  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        0.174   0.702  -0.134  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1        1.483   0.967  -0.006  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -3.287   1.647  -0.581  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -0.478  -0.597  -0.107  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.529  -0.045   0.176  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        3.218  -0.115   1.392  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.221  -1.069   1.578  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.542  -1.954   0.550  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.865  -1.884  -0.667  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.863  -0.930  -0.855  0.00  0.00    +0.008 A 
ENDBRANCH   9  12
BRANCH   1  18
ATOM     18  C   LIG    1       -2.894  -1.482  -0.283  0.00  0.00    +0.156 C 
BRANCH  18  20
ATOM     19  O   LIG    1       -2.520  -3.864  -0.527  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1       -2.467  -2.865   0.175  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.045  -2.907   1.461  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -2.023  -2.029   1.890  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4