REMARK  Name = BDB056392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.956   3.867  -2.382  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -2.042   2.940  -1.581  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -3.235   2.736  -0.951  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -3.971   3.373  -1.215  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -3.620   1.553  -0.408  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -4.786   1.299  -0.130  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -2.517   0.603  -0.223  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -1.149   0.980  -0.670  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -0.049   0.131  -0.380  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1       -0.319  -1.220   0.061  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -1.629  -1.544   0.499  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -1.921  -2.804   1.040  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.933  -3.775   1.123  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.334  -3.507   0.620  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        0.653  -2.253   0.050  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1       -2.720  -0.580   0.366  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1       -0.995   2.109  -1.311  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        1.171   0.806  -0.022  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        1.648   0.773   1.301  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        2.824   1.439   1.652  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.538   2.150   0.688  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.075   2.198  -0.625  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        1.899   1.533  -0.977  0.00  0.00    +0.026 A 
ENDBRANCH   9  18
BRANCH  15  24
ATOM     24  C   LIG    1        2.011  -2.131  -0.609  0.00  0.00    +0.419 C 
ATOM     25  F   LIG    1        2.503  -3.349  -0.999  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        2.014  -1.385  -1.746  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        2.964  -1.620   0.213  0.00  0.00    -0.166 F 
ENDBRANCH  15  24
TORSDOF 2