REMARK  Name = BDB029423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.109   1.563  -0.724  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.049   1.022  -0.459  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -2.788   1.491  -0.809  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -2.649   2.346  -1.327  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -1.792   0.642  -0.355  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.363  -0.432   0.320  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -1.570  -1.417   0.870  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.182  -1.297   0.725  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.410  -0.205   0.037  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1       -0.428   0.783  -0.513  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -3.856  -0.288   0.314  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.871  -0.110  -0.097  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        2.489   0.066  -1.338  0.00  0.00    +0.122 A 
ATOM     14  N   LIG    1        3.826   0.167  -1.533  0.00  0.00    -0.227 NA
ATOM     15  C   LIG    1        4.598   0.086  -0.432  0.00  0.00    +0.213 A 
ATOM     16  F   LIG    1        5.924   0.184  -0.595  0.00  0.00    -0.184 F 
ATOM     17  C   LIG    1        4.102  -0.090   0.847  0.00  0.00    +0.060 A 
ATOM     18  C   LIG    1        2.721  -0.189   1.014  0.00  0.00    +0.014 A 
ENDBRANCH   9  12
TORSDOF 1