REMARK  Name = BDB051905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.039   0.319  -0.164  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1        2.652   0.890  -0.187  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1        1.617  -0.057  -0.058  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        0.238   0.166  -0.041  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -0.358  -1.091   0.094  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -1.768  -1.163   0.141  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -2.558  -0.006   0.059  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -1.930   1.234  -0.077  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1        0.730  -1.987   0.158  0.00  0.00    +0.145 A 
ATOM     10  C   LIG    1       -0.528   1.349  -0.130  0.00  0.00    +0.061 A 
ATOM     11  N   LIG    1        1.911  -1.379   0.073  0.00  0.00    -0.171 NA
ATOM     12  O   LIG    1        2.387   2.080  -0.307  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   8  13
ATOM     13  N   LIG    1       -2.753   2.451  -0.168  0.00  0.00    +0.057 N 
ATOM     14  O   LIG    1       -3.976   2.303  -0.298  0.00  0.00    -0.126 OA
ATOM     15  O   LIG    1       -2.175   3.543  -0.110  0.00  0.00    -0.126 OA
ENDBRANCH   8  13
BRANCH   6  16
ATOM     16  N   LIG    1       -2.407  -2.464   0.292  0.00  0.00    +0.057 N 
ATOM     17  O   LIG    1       -3.510  -2.489   0.853  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1       -1.817  -3.456  -0.155  0.00  0.00    -0.126 OA
ENDBRANCH   6  16
TORSDOF 2