REMARK  Name = BDB056391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.701   3.359  -1.240  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -2.570   3.121  -0.825  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -1.734   4.172  -0.584  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -2.115   5.082  -0.788  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -0.385   4.082  -0.457  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        0.350   5.061  -0.498  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        0.100   2.706  -0.295  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -0.871   1.579  -0.366  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -0.427   0.252  -0.157  0.00  0.00    -0.291 N 
ATOM     10  C   LIG    1        0.975   0.009   0.052  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1        1.879   1.091   0.098  0.00  0.00    -0.000 A 
ATOM     12  C   LIG    1        3.248   0.869   0.301  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.739  -0.428   0.446  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.873  -1.524   0.374  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        1.499  -1.293   0.180  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        1.397   2.461  -0.070  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1       -2.125   1.848  -0.618  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.415  -0.778  -0.049  0.00  0.00    +0.084 A 
ATOM     19  C   LIG    1       -1.646  -1.439   1.168  0.00  0.00    +0.147 A 
ATOM     20  F   LIG    1       -0.940  -1.104   2.259  0.00  0.00    -0.203 F 
ATOM     21  C   LIG    1       -2.603  -2.446   1.279  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1       -3.356  -2.807   0.163  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -3.150  -2.159  -1.054  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.188  -1.150  -1.161  0.00  0.00    +0.029 A 
ENDBRANCH   9  18
BRANCH  14  25
ATOM     25  C   LIG    1        3.393  -2.932   0.539  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        2.706  -3.842  -0.205  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        4.699  -3.065   0.174  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        3.317  -3.364   1.827  0.00  0.00    -0.166 F 
ENDBRANCH  14  25
TORSDOF 2