REMARK  Name = BDB056399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.056   4.702  -0.059  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -0.563   3.610  -0.292  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -1.785   3.579  -0.900  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -2.190   4.481  -1.099  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -2.614   2.506  -0.928  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -3.787   2.583  -1.271  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -1.978   1.258  -0.487  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -0.566   1.283  -0.019  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.091   0.073   0.326  0.00  0.00    -0.292 N 
ATOM     10  C   LIG    1       -0.686  -1.146   0.412  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -2.023  -1.137  -0.060  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.804  -2.304  -0.063  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.292  -3.495   0.434  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.010  -3.516   0.969  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -0.217  -2.357   0.980  0.00  0.00    +0.065 A 
ATOM     16 CL   LIG    1        1.282  -2.517   1.835  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -2.644   0.101  -0.531  0.00  0.00    +0.027 A 
ATOM     18  N   LIG    1        0.046   2.436   0.043  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  19
ATOM     19  C   LIG    1        1.520   0.071   0.183  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        2.330   0.817   1.050  0.00  0.00    +0.064 A 
ATOM     21  C   LIG    1        3.712   0.806   0.893  0.00  0.00    +0.125 A 
ATOM     22  F   LIG    1        4.478   1.514   1.734  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        4.315   0.068  -0.119  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        3.524  -0.672  -0.995  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        2.135  -0.670  -0.847  0.00  0.00    +0.026 A 
ENDBRANCH   9  19
TORSDOF 1