REMARK  Name = BDB033079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.593   0.983   0.555  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.471  -0.107   0.417  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.334   0.142   1.546  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.698   0.866   2.541  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.160   1.164   3.630  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.693   1.208   2.065  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.348  -1.243   0.936  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.654  -0.359   0.140  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        1.861   0.740  -0.118  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        2.273   1.530  -0.596  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.968  -0.439  -0.554  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        4.992  -1.227  -0.005  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        6.241  -1.305  -0.620  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.476  -0.612  -1.806  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        5.454   0.149  -2.372  0.00  0.00    +0.019 A 
ATOM     16 BR   LIG    1        5.765   1.070  -3.995  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        4.202   0.238  -1.759  0.00  0.00    +0.032 A 
BRANCH  12  18
ATOM     18  O   LIG    1        4.843  -1.957   1.145  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        3.890  -1.947   1.391  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.619  -0.509   1.713  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.677   0.115   0.827  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.233  -0.547  -0.291  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -5.206   0.118  -1.063  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -5.623   1.409  -0.740  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.075   2.059   0.360  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.111   1.419   1.137  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.819  -1.950  -0.678  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -4.435  -2.413  -1.802  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -2.483  -2.051  -0.925  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.093  -2.862   0.295  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6