REMARK  Name = BDB046462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.491   0.478  -0.936  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1       -2.516   0.232   0.001  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -2.521  -1.014   0.659  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -1.569  -2.006   0.374  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -0.599  -1.747  -0.602  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.548  -0.514  -1.269  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.565   1.312   0.259  0.00  0.00    +0.370 C 
ATOM      8  F   LIG    1       -4.108   1.758  -0.924  0.00  0.00    -0.190 F 
ATOM      9  F   LIG    1       -2.978   2.424   0.817  0.00  0.00    -0.190 F 
BRANCH   7  10
ATOM     10  C   LIG    1       -4.746   0.912   1.170  0.00  0.00    +0.459 C 
ATOM     11  F   LIG    1       -4.339   0.577   2.423  0.00  0.00    -0.165 F 
ATOM     12  F   LIG    1       -5.638   1.926   1.315  0.00  0.00    -0.165 F 
ATOM     13  F   LIG    1       -5.438  -0.149   0.685  0.00  0.00    -0.165 F 
ENDBRANCH   7  10
ENDBRANCH   2   7
BRANCH   4  14
ATOM     14  C   LIG    1       -1.579  -3.352   1.082  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -2.867  -4.128   0.799  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -1.355  -3.195   2.588  0.00  0.00    +0.012 C 
ENDBRANCH   4  14
BRANCH   6  17
ATOM     17  C   LIG    1        0.470  -0.338  -2.331  0.00  0.00    -0.040 C 
ATOM     18  C   LIG    1        1.795  -0.254  -2.092  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -0.083  -0.274  -3.731  0.00  0.00    +0.044 C 
BRANCH  18  20
ATOM     20  C   LIG    1        2.445  -0.268  -0.795  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        3.779  -0.208  -0.649  0.00  0.00    +0.003 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.516  -0.206   0.619  0.00  0.00    -0.044 C 
ATOM     23  C   LIG    1        5.853  -0.029   0.577  0.00  0.00    +0.094 C 
ATOM     24  C   LIG    1        3.732  -0.442   1.886  0.00  0.00    +0.044 C 
BRANCH  23  25
ATOM     25  C   LIG    1        6.792   0.052   1.704  0.00  0.00    +0.330 C 
ATOM     26  O   LIG    1        7.951  -0.321   1.659  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        6.296   0.676   2.781  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        7.047   0.693   3.409  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  21  22
ENDBRANCH  18  20
ENDBRANCH   6  17
BRANCH   1  29
ATOM     29  O   LIG    1       -1.478   1.688  -1.588  0.00  0.00    -0.491 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -0.520   2.585  -1.009  0.00  0.00    +0.229 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -2.005   4.596  -1.439  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -0.651   3.948  -1.686  0.00  0.00    +0.038 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 11