REMARK  Name = BDB053226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.810  -1.028   0.094  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        1.230  -0.951  -1.258  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        2.106  -1.944  -1.755  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        2.559  -1.896  -3.171  0.00  0.00    +0.257 A 
ATOM      5  N   LIG    1        2.086  -0.850  -3.928  0.00  0.00    -0.329 N 
ATOM      6  H   LIG    1        2.407  -0.830  -4.889  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1        1.252   0.122  -3.457  0.00  0.00    +0.086 A 
ATOM      8  O   LIG    1        3.311  -2.740  -3.645  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        2.563  -2.987  -0.944  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.150  -3.055   0.378  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.817   0.119  -2.192  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.281  -2.087   0.888  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1       -0.085  -0.509   2.913  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -0.498   0.094   1.931  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1       -0.092  -0.063   0.617  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -0.423   0.636  -0.028  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1       -1.519   1.160   2.143  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -2.554   1.380   1.224  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -3.494   2.387   1.462  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -3.405   3.163   2.618  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -4.564   4.402   2.905  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -2.389   2.937   3.545  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -1.448   1.931   3.311  0.00  0.00    +0.014 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
TORSDOF 2