REMARK  Name = BDB014282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.014   0.189   0.769  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -1.918   0.504  -0.038  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.844   1.728  -0.691  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.631   1.756  -1.417  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.022   0.556  -1.198  0.00  0.00    +0.023 A 
ATOM      6  N   LIG    1       -2.805   2.678  -0.599  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -3.855   2.354   0.184  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -0.778  -0.192  -0.365  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -0.570  -1.119  -0.010  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.010   1.161   0.871  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -4.101  -1.389   2.205  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.161  -1.085   1.495  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.128  -1.929   1.305  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -2.375  -2.707   1.851  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        1.330   0.051  -1.714  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.279  -0.362  -0.611  0.00  0.00    -0.039 A 
ATOM     17  C   LIG    1        2.590  -1.714  -0.406  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        3.455  -2.084   0.622  0.00  0.00    +0.142 A 
ATOM     19  F   LIG    1        3.727  -3.387   0.793  0.00  0.00    -0.204 F 
ATOM     20  C   LIG    1        4.020  -1.124   1.457  0.00  0.00    +0.076 A 
ATOM     21 CL   LIG    1        5.085  -1.581   2.729  0.00  0.00    -0.081 Cl
ATOM     22  C   LIG    1        3.720   0.224   1.264  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        2.853   0.602   0.234  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 4