REMARK  Name = BDB056386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.716  -3.715  -2.763  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        1.891  -2.828  -1.933  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1        3.144  -2.655  -1.419  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1        3.847  -3.279  -1.784  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1        3.583  -1.519  -0.821  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        4.769  -1.290  -0.621  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        2.506  -0.585  -0.469  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        1.102  -0.925  -0.823  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.037  -0.093  -0.387  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1        0.355   1.217   0.138  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        1.700   1.500   0.492  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        2.047   2.710   1.108  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        1.081   3.675   1.351  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.226   3.455   0.931  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -0.603   2.253   0.289  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1        2.768   0.548   0.190  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1        0.881  -2.010  -1.518  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.166  -0.783  -0.007  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -1.545  -0.872   1.345  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -2.706  -1.556   1.717  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -3.497  -2.160   0.742  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -4.926  -3.000   1.201  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -3.135  -2.090  -0.601  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -1.974  -1.407  -0.973  0.00  0.00    +0.027 A 
ENDBRANCH   9  18
BRANCH  15  25
ATOM     25  C   LIG    1       -2.010   2.193  -0.268  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1       -2.528   3.439  -0.498  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.104   1.557  -1.467  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -2.895   1.597   0.573  0.00  0.00    -0.166 F 
ENDBRANCH  15  25
TORSDOF 2