REMARK  Name = BDB062090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.386   0.380   1.158  0.00  0.00    +0.234 A 
ATOM      2  N   LIG    1        0.473  -0.451   0.616  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -0.791   0.044   0.469  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -1.127   1.346   0.899  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1       -0.185   2.175   1.437  0.00  0.00    -0.248 NA
ATOM      6  C   LIG    1        1.063   1.665   1.556  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.719  -0.894  -0.189  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.463  -0.529  -1.325  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -3.342  -1.431  -1.934  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -3.479  -2.717  -1.420  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -4.667  -3.936  -2.241  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -2.740  -3.112  -0.309  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -1.864  -2.207   0.298  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -2.478   1.934   0.846  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.679   3.197   0.260  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.952   3.773   0.195  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -5.043   3.093   0.728  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -6.765   3.865   0.640  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -4.872   1.850   1.330  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -3.596   1.279   1.394  0.00  0.00    +0.011 A 
ENDBRANCH   4  14
BRANCH   1  21
ATOM     21  O   LIG    1        2.687  -0.037   1.339  0.00  0.00    -0.474 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.934  -1.351   0.818  0.00  0.00    +0.249 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.396  -1.708   1.097  0.00  0.00    +0.145 C 
BRANCH  23  26
ATOM     24  C   LIG    1        6.493  -0.083  -1.610  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1        5.613  -1.118  -0.964  0.00  0.00    +0.210 C 
ATOM     26  N   LIG    1        5.325  -0.868   0.358  0.00  0.00    -0.312 N 
ATOM     27  H   LIG    1        5.520   0.052   0.733  0.00  0.00    +0.149 HD
ATOM     28  O   LIG    1        5.185  -2.089  -1.578  0.00  0.00    -0.276 OA
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6