REMARK  Name = BDB061943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.061  -1.579   0.257  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -1.924  -0.901   1.238  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1       -1.487   0.354   1.700  0.00  0.00    +0.225 C 
ATOM      4  O   LIG    1       -0.643   1.027   1.119  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -3.264  -0.862   0.649  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -3.066  -1.053  -0.871  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -1.551  -1.038  -1.079  0.00  0.00    +0.065 C 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.870  -1.566   1.735  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1        0.451  -1.562   0.577  0.00  0.00    +0.234 C 
ATOM     10  N   LIG    1        1.290  -1.654  -0.514  0.00  0.00    -0.310 N 
ATOM     11  H   LIG    1        0.916  -1.502  -1.439  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.722  -1.505  -0.374  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.171  -0.169  -0.913  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        2.784   1.018  -0.270  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.183   2.260  -0.769  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        3.975   2.321  -1.913  0.00  0.00    +0.018 A 
ATOM     17 BR   LIG    1        4.516   4.000  -2.592  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1        4.369   1.153  -2.563  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        3.967  -0.089  -2.064  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   6  20
ATOM     20  O   LIG    1       -3.556  -2.328  -1.285  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1       -4.527  -2.309  -1.221  0.00  0.00    +0.210 HD
ENDBRANCH   6  20
BRANCH   3  22
ATOM     22  C   LIG    1       -2.108   0.756   3.008  0.00  0.00    +0.209 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.449   2.215   2.967  0.00  0.00    +0.398 C 
ATOM     24  F   LIG    1       -3.250   2.505   1.916  0.00  0.00    -0.170 F 
ATOM     25  F   LIG    1       -3.143   2.548   4.085  0.00  0.00    -0.170 F 
ATOM     26  F   LIG    1       -1.370   3.018   2.921  0.00  0.00    -0.170 F 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6