REMARK  Name = BDB026389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.721  -0.398   0.491  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.384  -1.646   0.010  0.00  0.00    +0.404 C 
ATOM      3  O   LIG    1       -1.161  -2.505  -0.373  0.00  0.00    -0.226 OA
ATOM      4  O   LIG    1        0.975  -1.792  -0.013  0.00  0.00    -0.441 OA
ATOM      5  C   LIG    1        1.563  -0.620   0.573  0.00  0.00    +0.226 C 
ATOM      6  C   LIG    1        0.458   0.419   0.511  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   1  13
ATOM      7  O   LIG    1       -5.962   0.508  -0.968  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -4.810   0.347  -0.576  0.00  0.00    +0.219 C 
ATOM      9  N   LIG    1       -3.745   0.504  -1.427  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -3.974   0.714  -2.389  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -2.404   0.456  -1.125  0.00  0.00    +0.240 C 
ATOM     12  O   LIG    1       -1.562   0.720  -1.982  0.00  0.00    -0.273 OA
ATOM     13  C   LIG    1       -2.055   0.176   0.347  0.00  0.00    +0.166 C 
ATOM     14  C   LIG    1       -3.152  -0.660   1.007  0.00  0.00    +0.041 C 
ATOM     15  C   LIG    1       -4.485   0.058   0.871  0.00  0.00    +0.098 C 
ENDBRANCH   1  13
BRANCH   5  16
ATOM     16  C   LIG    1        2.819  -0.203  -0.155  0.00  0.00    -0.006 A 
ATOM     17  C   LIG    1        2.925  -0.314  -1.551  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.082   0.100  -2.213  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        5.143   0.631  -1.484  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        6.710   1.192  -2.379  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        5.056   0.753  -0.099  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        3.897   0.340   0.563  0.00  0.00    +0.008 A 
ENDBRANCH   5  16
TORSDOF 2