REMARK  Name = BDB026401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.531  -0.248  -0.466  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.188   0.401  -1.631  0.00  0.00    +0.404 C 
ATOM      3  O   LIG    1       -0.870   1.212  -2.234  0.00  0.00    -0.226 OA
ATOM      4  O   LIG    1        1.051  -0.001  -2.046  0.00  0.00    -0.441 OA
ATOM      5  C   LIG    1        1.577  -0.942  -1.098  0.00  0.00    +0.226 C 
ATOM      6  C   LIG    1        0.372  -1.344  -0.262  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   1  13
ATOM      7  O   LIG    1       -5.962   0.406   0.237  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -4.744   0.272   0.155  0.00  0.00    +0.219 C 
ATOM      9  N   LIG    1       -4.191  -0.663  -0.683  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -4.843  -1.193  -1.246  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -2.868  -1.020  -0.798  0.00  0.00    +0.240 C 
ATOM     12  O   LIG    1       -2.538  -1.973  -1.504  0.00  0.00    -0.273 OA
ATOM     13  C   LIG    1       -1.881  -0.244   0.090  0.00  0.00    +0.166 C 
ATOM     14  C   LIG    1       -2.414   1.158   0.386  0.00  0.00    +0.041 C 
ATOM     15  C   LIG    1       -3.788   1.050   1.029  0.00  0.00    +0.098 C 
ENDBRANCH   1  13
BRANCH   5  16
ATOM     16  C   LIG    1        2.707  -0.353  -0.273  0.00  0.00    -0.005 A 
ATOM     17  C   LIG    1        2.882   1.032  -0.119  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        3.923   1.528   0.668  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1        4.139   3.396   0.867  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        4.802   0.660   1.311  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        4.641  -0.716   1.165  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.601  -1.219   0.381  0.00  0.00    +0.007 A 
ENDBRANCH   5  16
TORSDOF 2