REMARK  Name = BDB056964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.165  -1.745   0.824  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.455  -0.666   0.303  0.00  0.00    +0.280 C 
ATOM      3  N   LIG    1        0.602   0.213   0.006  0.00  0.00    -0.176 N 
ATOM      4  C   LIG    1        1.969   0.023   0.134  0.00  0.00    +0.098 A 
ATOM      5  C   LIG    1        2.506   1.234  -0.285  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        3.897   1.413  -0.295  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        4.713   0.354   0.122  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        4.155  -0.855   0.540  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        1.503   2.091  -0.634  0.00  0.00    -0.129 NA
ATOM     10  C   LIG    1        2.768  -1.049   0.555  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1        0.348   1.469  -0.446  0.00  0.00    -0.057 NA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -1.899  -0.391   0.058  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -2.349   0.334  -1.053  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.719   0.544  -1.245  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -4.639   0.021  -0.338  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -6.322   0.281  -0.580  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -4.203  -0.718   0.760  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -2.836  -0.928   0.955  0.00  0.00    +0.015 A 
ENDBRANCH   2  12
TORSDOF 1