REMARK  Name = BDB022014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.888  -2.866   0.587  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.274  -2.591   1.968  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.107  -1.937   1.898  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        1.258  -1.077   0.725  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        2.065   0.062   0.874  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        2.455   0.473   1.963  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.059  -1.723  -0.578  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.186  -2.973  -0.496  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.494   0.813  -0.327  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        1.565   1.448  -1.159  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        2.012   2.173  -2.265  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.377   2.269  -2.518  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1        3.802   2.966  -3.580  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        4.308   1.661  -1.682  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        3.867   0.935  -0.575  0.00  0.00    +0.016 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  O   LIG    1       -2.985  -2.256  -0.390  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -1.975  -1.858   0.186  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1       -1.678  -0.539   0.470  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1       -0.780  -0.365   0.915  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.479   0.599   0.242  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -1.976   1.830   0.686  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -2.705   3.005   0.487  0.00  0.00    +0.078 A 
ATOM     23 CL   LIG    1       -2.057   4.504   1.031  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -3.941   2.955  -0.150  0.00  0.00    +0.142 A 
ATOM     25  F   LIG    1       -4.656   4.071  -0.352  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1       -4.454   1.741  -0.588  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -3.724   0.564  -0.392  0.00  0.00    +0.026 A 
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 3