REMARK  Name = BDB022025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.154  -2.421  -2.224  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.571  -1.518  -1.629  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        2.151  -0.614  -0.758  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        1.535   0.048  -0.306  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.066  -1.331  -1.830  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1       -0.715  -1.602  -0.539  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -2.100  -0.969  -0.590  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1       -2.018   0.483  -0.765  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -2.836   1.399  -0.100  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1       -2.554   2.590   0.007  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.866   1.021  -1.480  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -0.267   0.028  -2.468  0.00  0.00    +0.032 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -4.104   0.930   0.505  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -5.036   0.205  -0.248  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -6.234  -0.205   0.340  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1       -6.501   0.125   1.670  0.00  0.00    +0.018 A 
ATOM     17 BR   LIG    1       -8.124  -0.431   2.463  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1       -5.587   0.869   2.416  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1       -4.388   1.280   1.830  0.00  0.00    +0.014 A 
ENDBRANCH   9  13
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1        3.511  -0.524  -0.395  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.859   0.463   0.538  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        5.192   0.637   0.969  0.00  0.00    +0.075 A 
ATOM     23  C   LIG    1        6.179  -0.201   0.443  0.00  0.00    +0.053 A 
ATOM     24 CL   LIG    1        7.836  -0.072   0.903  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        5.840  -1.185  -0.488  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        4.514  -1.345  -0.905  0.00  0.00    +0.025 A 
BRANCH  22  27
ATOM     27  C   LIG    1        5.523   1.706   1.974  0.00  0.00    +0.419 C 
ATOM     28  F   LIG    1        6.062   1.213   3.123  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        4.426   2.417   2.370  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.399   2.634   1.500  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH   3  20
TORSDOF 4