REMARK  Name = BDB016937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.416  -0.313  -0.044  0.00  0.00    +0.092 A 
ATOM      2  N   LIG    1       -0.624  -1.651   0.045  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -1.888  -2.111  -0.068  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -2.985  -1.292  -0.241  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -2.755   0.080  -0.303  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -1.460   0.585  -0.219  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.547   0.201   0.106  0.00  0.00    +0.151 C 
ATOM      8  N   LIG    1        3.124   0.424   0.158  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        2.141  -0.498  -0.088  0.00  0.00    +0.114 A 
ATOM     10 BR   LIG    1        2.431  -2.311  -0.596  0.00  0.00    -0.028 Br
ATOM     11  C   LIG    1        0.950   0.184   0.087  0.00  0.00    +0.121 A 
ATOM     12  N   LIG    1        1.214   1.506   0.417  0.00  0.00    -0.233 NA
ATOM     13  C   LIG    1        2.522   1.611   0.454  0.00  0.00    +0.200 A 
ENDBRANCH   1  11
BRANCH   5  14
ATOM     14  C   LIG    1       -3.871   1.024  -0.494  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1       -3.847   1.931  -1.305  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.901   0.784   0.344  0.00  0.00    -0.477 OA
ATOM     17  H   LIG    1       -4.707   0.145   1.056  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   5  14
TORSDOF 3