REMARK  Name = BDB050294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.295  -0.125   0.866  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.979  -0.436   0.487  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.933   0.457   0.755  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -1.204   1.659   1.419  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.510   1.976   1.794  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.550   1.090   1.517  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.476   0.144   0.372  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        1.441   0.630   1.097  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1        0.715  -0.734  -0.841  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1        2.697   0.222   0.619  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1        3.708   0.748   1.477  0.00  0.00    +0.298 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.054   0.308   0.960  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        5.540  -0.973   1.254  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        6.779  -1.391   0.763  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        7.550  -0.541  -0.044  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        7.060   0.739  -0.340  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        5.820   1.157   0.152  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  C   LIG    1        8.898  -0.984  -0.555  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        8.971  -2.326  -0.781  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        9.903  -0.698   0.320  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        9.248  -0.392  -1.731  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  C   LIG    1       -4.426  -1.081   0.559  0.00  0.00    +0.078 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.013  -0.857  -0.837  0.00  0.00    +0.230 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.895  -2.053  -1.193  0.00  0.00    +0.334 C 
ATOM     25  O   LIG    1       -5.486  -3.192  -1.357  0.00  0.00    -0.248 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -7.205  -1.714  -1.302  0.00  0.00    -0.479 OA
ATOM     27  H   LIG    1       -7.281  -0.748  -1.114  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
BRANCH  23  28
ATOM     28  O   LIG    1       -5.866   0.311  -0.831  0.00  0.00    -0.365 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -6.290   2.541  -1.567  0.00  0.00    +0.034 C 
ATOM     30  C   LIG    1       -5.378   1.338  -1.698  0.00  0.00    +0.157 C 
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 11