REMARK  Name = BDB021152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.025  -0.387  -0.463  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.002  -1.203  -0.852  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        0.930  -2.234  -1.492  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.240  -0.595  -0.360  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        1.886   0.556   0.332  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        2.838   1.364   0.927  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        4.180   0.986   0.810  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        4.538  -0.180   0.108  0.00  0.00    +0.022 A 
ATOM      9 CL   LIG    1        2.451   2.797   1.786  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        3.560  -0.984  -0.486  0.00  0.00    +0.054 A 
ATOM     11 CL   LIG    1        4.049  -2.392  -1.337  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        0.426   0.664   0.281  0.00  0.00    +0.256 C 
ATOM     13  O   LIG    1       -0.236   1.520   0.832  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1       -4.865   0.616   1.266  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -3.864   0.246   0.659  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -3.303  -0.975   0.916  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.679  -1.402   1.754  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -1.987  -1.262   0.668  0.00  0.00    +0.240 C 
ATOM     19  O   LIG    1       -1.328  -1.931   1.462  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -1.428  -0.735  -0.657  0.00  0.00    +0.171 C 
ATOM     21  C   LIG    1       -2.285   0.358  -1.299  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -3.135   1.142  -0.311  0.00  0.00    +0.098 C 
ENDBRANCH   1  20
TORSDOF 1