REMARK  Name = BDB062872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.244  -1.282  -0.077  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.188  -0.062  -0.113  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1       -1.008   0.795   0.581  0.00  0.00    -0.295 N 
ATOM      4  H   LIG    1       -0.944   1.786   0.397  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.822   0.602  -0.952  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.180   0.508  -0.686  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.959  -0.131   0.364  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        4.327   0.113   0.136  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        4.441   0.933  -1.084  0.00  0.00    +0.194 C 
ATOM     10  O   LIG    1        5.462   1.348  -1.588  0.00  0.00    -0.287 OA
ATOM     11  C   LIG    1        5.343  -0.348   0.952  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        4.960  -1.096   2.060  0.00  0.00    +0.042 A 
ATOM     13 CL   LIG    1        6.162  -1.707   3.129  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        3.604  -1.357   2.324  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        2.595  -0.873   1.475  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        3.064   1.162  -1.566  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        2.663   1.891  -2.673  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.295   1.972  -2.924  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        0.379   1.333  -2.072  0.00  0.00    +0.014 A 
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  CA  LIG    1       -2.198   0.324   1.289  0.00  0.00    +0.213 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.327   0.023   0.314  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -4.294   1.008   0.043  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -5.321   0.770  -0.874  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.392  -0.451  -1.540  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.436  -1.433  -1.292  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.410  -1.197  -0.374  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -1.887  -0.735   2.364  0.00  0.00    +0.330 C 
ATOM     28  O   LIG    1       -0.843  -0.833   2.998  0.00  0.00    -0.249 OA
BRANCH  27  29
ATOM     29  OXT LIG    1       -2.924  -1.536   2.689  0.00  0.00    -0.479 OA
ATOM     30  HXT LIG    1       -2.555  -2.134   3.371  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH   3  20
TORSDOF 5