REMARK  Name = BDB064950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.170   0.934  -0.481  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.021   0.344   0.004  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.267   0.519  -0.618  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1        1.357   1.349  -1.736  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        0.216   1.974  -2.228  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.022   1.764  -1.611  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.445  -0.195  -0.104  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.492  -1.699  -0.100  0.00  0.00    +0.256 A 
ATOM      9  O   LIG    1        1.586  -2.394  -0.550  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1        3.630  -2.259   0.436  0.00  0.00    -0.328 N 
ATOM     11  H   LIG    1        3.651  -3.272   0.442  0.00  0.00    +0.168 HD
ATOM     12  C   LIG    1        4.686  -1.541   0.936  0.00  0.00    +0.098 A 
ATOM     13  C   LIG    1        4.668  -0.198   0.933  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        3.497   0.483   0.396  0.00  0.00    +0.027 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.794   0.645   1.461  0.00  0.00    +0.419 C 
ATOM     16  F   LIG    1        6.828  -0.099   1.932  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        5.390   1.446   2.479  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        6.303   1.457   0.499  0.00  0.00    -0.166 F 
ENDBRANCH  13  15
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.595   0.645   0.234  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1       -2.954   1.609   1.423  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -3.789   2.438   0.430  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.918   1.167  -0.430  0.00  0.00    +0.019 C 
BRANCH  19  25
ATOM     23  C   LIG    1       -2.290  -1.977  -1.619  0.00  0.00    +0.151 C 
ATOM     24  N   LIG    1       -2.586  -1.970  -0.213  0.00  0.00    -0.320 N 
ATOM     25  C   LIG    1       -2.731  -0.890   0.616  0.00  0.00    +0.144 A 
ATOM     26  N   LIG    1       -2.987  -1.323   1.834  0.00  0.00    -0.134 NA
ATOM     27  N   LIG    1       -3.009  -2.697   1.802  0.00  0.00    -0.138 NA
ATOM     28  C   LIG    1       -2.756  -3.070   0.570  0.00  0.00    +0.224 A 
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 4