REMARK  Name = BDB056389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.143   4.327   0.893  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        1.214   3.589   0.580  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -0.027   4.136   0.427  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -0.087   5.126   0.606  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -1.190   3.438   0.420  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -2.285   3.975   0.533  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -1.007   1.985   0.291  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        0.370   1.429   0.260  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.560   0.042   0.072  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1       -0.592  -0.826   0.015  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -1.905  -0.288   0.058  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.029  -1.149  -0.007  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.827  -2.539  -0.093  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -1.545  -3.073  -0.106  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.442  -2.226  -0.047  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -2.062   1.169   0.184  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1        1.380   2.247   0.397  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        1.894  -0.433  -0.144  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        2.863  -0.342   0.869  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        4.163  -0.809   0.657  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        4.505  -1.369  -0.572  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        6.104  -1.948  -0.833  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        3.561  -1.462  -1.592  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        2.261  -0.994  -1.380  0.00  0.00    +0.027 A 
ENDBRANCH   9  18
BRANCH  12  25
ATOM     25  C   LIG    1       -4.450  -0.631   0.019  0.00  0.00    +0.418 C 
ATOM     26  F   LIG    1       -5.391  -1.613  -0.072  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -4.714   0.224  -1.007  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -4.738   0.047   1.164  0.00  0.00    -0.166 F 
ENDBRANCH  12  25
TORSDOF 2