REMARK  Name = BDB002871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.829  -2.649  -0.874  0.00  0.00    +0.151 C 
ATOM      2  N   LIG    1        0.566  -1.303  -0.344  0.00  0.00    -0.250 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.628  -0.433  -0.680  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1        2.618  -0.000   0.208  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1        3.588   0.913  -0.261  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        3.565   1.346  -1.577  0.00  0.00    +0.060 A 
ATOM      7 CL   LIG    1        4.737   2.449  -2.163  0.00  0.00    -0.082 Cl
ATOM      8  C   LIG    1        2.576   0.850  -2.396  0.00  0.00    +0.133 A 
ATOM      9  N   LIG    1        1.628  -0.021  -1.977  0.00  0.00    -0.237 NA
BRANCH   4  10
ATOM     10  C   LIG    1        2.708  -0.488   1.623  0.00  0.00    +0.421 C 
ATOM     11  F   LIG    1        2.664  -1.841   1.749  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1        1.728   0.024   2.420  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        3.877  -0.120   2.229  0.00  0.00    -0.166 F 
ENDBRANCH   4  10
ENDBRANCH   2   3
BRANCH   2  14
ATOM     14  N   LIG    1       -0.090  -1.204   0.915  0.00  0.00    -0.197 NA
ATOM     15  H   LIG    1        0.103  -0.322   1.396  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -1.550  -1.251   0.746  0.00  0.00    +0.295 C 
ATOM     17  C   LIG    1       -2.157   0.003   0.226  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -3.063   0.483   1.149  0.00  0.00    +0.067 A 
ATOM     19  C   LIG    1       -3.805   1.635   0.947  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -3.614   2.323  -0.251  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.702   1.845  -1.205  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.081  -0.410   2.296  0.00  0.00    +0.341 C 
ATOM     23  O   LIG    1       -3.768  -0.292   3.290  0.00  0.00    -0.245 OA
ATOM     24  C   LIG    1       -1.969   0.676  -0.972  0.00  0.00    +0.009 A 
ATOM     25  O   LIG    1       -2.179  -1.399   2.040  0.00  0.00    -0.436 OA
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 4