REMARK  Name = BDB051552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.566   0.412   0.461  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        3.373  -0.954   0.321  0.00  0.00    -0.203 NA
ATOM      3  C   LIG    1        2.155  -1.380   0.163  0.00  0.00    +0.210 A 
ATOM      4  N   LIG    1        1.082  -0.504   0.134  0.00  0.00    -0.268 N 
ATOM      5  C   LIG    1        1.237   0.860   0.270  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1        0.081   1.496   0.212  0.00  0.00    -0.225 NA
ATOM      7  C   LIG    1       -0.841   0.504   0.033  0.00  0.00    +0.115 A 
ATOM      8  C   LIG    1       -2.270   0.607  -0.099  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.003  -0.584  -0.277  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -2.301  -1.913  -0.326  0.00  0.00    +0.258 A 
ATOM     11  N   LIG    1       -0.918  -1.930  -0.190  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -0.462  -2.833  -0.225  0.00  0.00    +0.170 HD
ATOM     13  O   LIG    1       -2.925  -2.958  -0.480  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -4.395  -0.531  -0.410  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -5.048   0.703  -0.366  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.318   1.881  -0.189  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.929   1.837  -0.056  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -0.257  -0.739  -0.019  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1        2.563   1.309   0.441  0.00  0.00    +0.114 A 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1        5.872  -0.072   0.646  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1        4.847   0.916   0.632  0.00  0.00    -0.480 OA
ENDBRANCH   1  21
TORSDOF 1