REMARK  Name = BDB056383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.042   4.306  -1.277  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        2.098   3.220  -0.709  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1        3.247   2.891  -0.050  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1        3.981   3.581  -0.097  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1        3.608   1.629   0.295  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        4.746   1.336   0.643  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        2.518   0.653   0.182  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        1.190   1.098  -0.319  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.093   0.195  -0.328  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1        0.355  -1.212  -0.116  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        1.622  -1.599   0.393  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        1.893  -2.934   0.723  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.933  -3.914   0.521  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.283  -3.571  -0.059  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -0.578  -2.236  -0.421  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1        2.694  -0.618   0.554  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1        1.060   2.334  -0.723  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.184   0.779  -0.015  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -1.822   1.642  -0.918  0.00  0.00    +0.064 A 
ATOM     20  C   LIG    1       -3.050   2.207  -0.593  0.00  0.00    +0.125 A 
ATOM     21  F   LIG    1       -3.655   3.021  -1.468  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -3.665   1.940   0.625  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -3.041   1.094   1.538  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -1.807   0.517   1.221  0.00  0.00    +0.026 A 
ENDBRANCH   9  18
BRANCH  15  25
ATOM     25  C   LIG    1       -1.861  -2.012  -1.193  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1       -2.906  -1.651  -0.402  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.283  -3.144  -1.835  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -1.760  -1.079  -2.177  0.00  0.00    -0.166 F 
ENDBRANCH  15  25
TORSDOF 2