REMARK  Name = BDB056380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.538   0.194   0.410  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -1.266  -1.021   0.116  0.00  0.00    +0.067 A 
ATOM      3  C   LIG    1       -2.477  -0.928  -0.618  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -3.166  -2.079  -1.027  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.691  -3.337  -0.686  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.555  -3.447   0.108  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -3.056   0.375  -0.941  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -2.488   1.501  -0.499  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1       -3.094   2.810  -0.773  0.00  0.00    +0.263 A 
ATOM     10  O   LIG    1       -4.178   2.952  -1.326  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -2.356   3.857  -0.324  0.00  0.00    -0.273 N 
ATOM     12  H   LIG    1       -2.787   4.767  -0.373  0.00  0.00    +0.174 HD
ATOM     13  C   LIG    1       -1.341   3.748   0.582  0.00  0.00    +0.350 A 
ATOM     14  O   LIG    1       -1.030   4.741   1.233  0.00  0.00    -0.245 OA
ATOM     15  N   LIG    1       -0.716   2.546   0.741  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -0.850  -2.305   0.552  0.00  0.00    +0.079 A 
ATOM     17  C   LIG    1       -1.207   1.437   0.254  0.00  0.00    +0.156 A 
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1        5.207   0.433  -0.000  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        3.710   0.394   0.093  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        3.056   0.929   1.207  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        1.664   0.864   1.311  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        0.896   0.249   0.311  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        1.560  -0.292  -0.802  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        2.953  -0.227  -0.906  0.00  0.00    +0.005 A 
ENDBRANCH   1  22
BRANCH  16  25
ATOM     25  C   LIG    1        0.274  -2.541   1.540  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1        0.374  -1.591   2.507  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        1.494  -2.650   0.951  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        0.113  -3.714   2.228  0.00  0.00    -0.166 F 
ENDBRANCH  16  25
TORSDOF 2