REMARK  Name = BDB051090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.491  -1.369   1.344  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.740  -2.603   0.750  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.993  -3.034   0.541  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.313  -3.432   0.374  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.631  -3.032   0.605  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.901  -1.806   1.229  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.830  -0.977   1.598  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.510   0.084   2.858  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.584  -0.468   1.762  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.623  -0.263   0.883  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        2.587  -0.229  -0.576  0.00  0.00    +0.116 C 
ATOM     12  C   LIG    1        3.929   0.545  -0.513  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1        3.946   1.783  -1.423  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1        5.369   2.239  -1.758  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1        6.357   1.927  -0.643  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        6.438   0.425  -0.358  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1        5.164  -0.339  -0.728  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        3.595   0.822   0.980  0.00  0.00    +0.116 C 
ENDBRANCH   1   9
BRANCH   6  19
ATOM     19  C   LIG    1       -3.326  -1.364   1.475  0.00  0.00    +0.093 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.954  -0.547   0.350  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1       -5.328  -0.013   0.552  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -5.886   0.732  -0.484  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -7.174   1.268  -0.366  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1       -7.909   1.053   0.799  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -7.358   0.305   1.840  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.105   0.950  -1.712  0.00  0.00    +0.272 A 
ATOM     27  O   LIG    1       -5.554   1.600  -2.649  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -3.856   0.383  -1.740  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1       -3.301   0.521  -2.579  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1       -6.071  -0.229   1.720  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1       -3.283  -0.347  -0.747  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 3