REMARK  Name = BDB006223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.695   0.667  -0.200  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.054   1.796   0.702  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1        0.061   2.320   1.407  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1        0.140   3.312   2.111  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.153   1.445   1.035  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        2.434   1.346   1.361  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.849   0.281   0.631  0.00  0.00    -0.264 N 
ATOM      8  C   LIG    1        1.852  -0.293  -0.151  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.743   0.482   0.119  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -1.893  -1.093  -2.351  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.936  -1.469  -0.893  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.392  -0.646   0.124  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.512  -1.073   1.468  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.147  -2.271   1.798  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.678  -3.065   0.792  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.464  -4.542   1.190  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.580  -2.670  -0.541  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.377   2.315   0.790  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -2.864   2.914   1.965  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -2.127   2.905   3.086  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -4.164   3.424   2.027  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -4.759   4.140   3.478  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.008   3.335   0.923  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.554   2.719  -0.239  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.253   2.207  -0.302  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        1.977  -1.499  -1.038  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.041  -2.797  -0.234  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        3.108  -1.408  -2.058  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        4.261  -0.171   0.718  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1        5.338   0.401  -0.175  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1        5.357   0.702   1.291  0.00  0.00    +0.029 C 
ENDBRANCH   7  29
TORSDOF 4