REMARK  Name = BDB050068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.674   0.496  -0.121  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -1.349   0.235   0.273  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -0.606  -0.798  -0.315  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -1.219  -1.587  -1.299  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -2.537  -1.345  -1.693  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.262  -0.310  -1.105  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.771  -1.081   0.095  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1        1.746  -0.138   0.375  0.00  0.00    -0.211 N 
ATOM      9  C   LIG    1        2.902  -0.834   0.703  0.00  0.00    +0.155 A 
ATOM     10  C   LIG    1        4.049  -0.077   1.029  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        3.980   1.259   1.000  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1        2.679   1.868   0.621  0.00  0.00    +0.150 A 
ATOM     13 CL   LIG    1        2.551   3.589   0.569  0.00  0.00    -0.060 Cl
ATOM     14  N   LIG    1        2.725  -2.134   0.646  0.00  0.00    -0.234 NA
ATOM     15  N   LIG    1        1.599   1.220   0.320  0.00  0.00    -0.153 NA
ATOM     16  C   LIG    1        1.419  -2.294   0.268  0.00  0.00    +0.141 A 
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  F   LIG    1       -4.133   1.165   1.642  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1       -3.462   1.599   0.539  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1       -2.690   2.640   0.958  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.406   2.145  -0.279  0.00  0.00    -0.166 F 
ENDBRANCH   1  18
TORSDOF 2