REMARK  Name = BDB047182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.746  -1.092   0.503  0.00  0.00    +0.088 A 
ATOM      2  C   LIG    1       -1.492  -1.798   1.681  0.00  0.00    +0.147 A 
ATOM      3  F   LIG    1       -2.360  -1.812   2.703  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1       -0.268  -2.436   1.876  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        0.726  -2.363   0.901  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.508  -1.633  -0.275  0.00  0.00    -0.039 A 
ATOM      7  C   LIG    1       -0.739  -1.014  -0.471  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.217   2.272  -0.931  0.00  0.00    +0.049 C 
ATOM      9  C   LIG    1       -4.555   1.069  -0.362  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.204   0.762  -0.387  0.00  0.00    +0.203 A 
ATOM     11  N   LIG    1       -3.001  -0.449   0.285  0.00  0.00    -0.249 N 
ATOM     12  C   LIG    1       -4.253  -0.922   0.673  0.00  0.00    +0.200 A 
ATOM     13  C   LIG    1       -5.204   0.009   0.318  0.00  0.00    +0.074 A 
BRANCH  10  14
ATOM     14  O   LIG    1       -2.192   1.476  -0.884  0.00  0.00    -0.493 OA
ATOM     15  H   LIG    1       -2.567   2.299  -1.242  0.00  0.00    +0.294 HD
ENDBRANCH  10  14
BRANCH  12  16
ATOM     16  O   LIG    1       -4.421  -2.121   1.226  0.00  0.00    -0.493 OA
ATOM     17  H   LIG    1       -5.362  -2.219   1.448  0.00  0.00    +0.294 HD
ENDBRANCH  12  16
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  C   LIG    1        1.577  -1.540  -1.340  0.00  0.00    +0.093 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.927  -1.078  -0.804  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1        3.144   0.353  -0.464  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        4.399   0.704   0.030  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        4.686   2.030   0.376  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        3.708   3.012   0.228  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.451   2.668  -0.266  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.428  -0.337   0.184  0.00  0.00    +0.272 A 
ATOM     26  O   LIG    1        6.547  -0.073   0.612  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        5.062  -1.608  -0.180  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1        5.759  -2.339  -0.081  0.00  0.00    +0.192 HD
ATOM     29  C   LIG    1        2.167   1.343  -0.614  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1        3.848  -1.986  -0.662  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 5