REMARK  Name = BDB027919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.981   0.748   0.454  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.763   0.601   0.472  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.072   0.571   1.657  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -3.639   0.595   2.493  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -1.752   0.235   1.837  0.00  0.00    +0.239 C 
ATOM      6  O   LIG    1       -1.309   0.005   2.963  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -0.877   0.186   0.570  0.00  0.00    +0.158 C 
ATOM      8  C   LIG    1       -1.714  -0.377  -0.576  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1       -2.941   0.495  -0.790  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        0.280  -0.688   0.818  0.00  0.00    -0.333 N 
ATOM     11  H   LIG    1        0.367  -0.899   1.818  0.00  0.00    +0.147 HD
BRANCH  10  12
ATOM     12  C   LIG    1        1.527  -0.418   0.248  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        1.710   0.339  -0.914  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        2.983   0.503  -1.469  0.00  0.00    +0.043 A 
ATOM     15 CL   LIG    1        3.175   1.463  -2.886  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        4.095  -0.105  -0.895  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.928  -0.895   0.237  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        2.654  -1.058   0.790  0.00  0.00    +0.023 A 
ENDBRANCH  10  12
ENDBRANCH   7  10
TORSDOF 2