REMARK  Name = BDB052554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.467   2.648   0.548  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        2.415   2.032   0.420  0.00  0.00    +0.256 A 
ATOM      3  C   LIG    1        2.382   0.579   0.122  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        1.141  -0.066  -0.012  0.00  0.00    -0.004 A 
ATOM      5  C   LIG    1        1.133  -1.440  -0.294  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        2.332  -2.146  -0.437  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.555  -1.491  -0.301  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.117   0.705   0.144  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.015   2.019   0.414  0.00  0.00    +0.095 A 
ATOM     10  C   LIG    1        3.583  -0.127  -0.021  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        1.193   2.652   0.545  0.00  0.00    -0.328 N 
ATOM     12  H   LIG    1        1.227   3.644   0.749  0.00  0.00    +0.168 HD
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.484   0.162   0.031  0.00  0.00    -0.016 A 
ATOM     14  C   LIG    1       -2.139  -0.340   1.162  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.433  -0.853   1.054  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.077  -0.867  -0.183  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.429  -0.368  -1.314  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.136   0.146  -1.208  0.00  0.00    +0.008 A 
ENDBRANCH   8  13
TORSDOF 1