REMARK  Name = BDB057079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.726   0.486  -1.327  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        2.245  -0.417  -0.657  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        0.906  -0.760  -0.715  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        0.528  -1.119   0.150  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        2.913  -1.237   0.225  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        2.418  -2.076   0.486  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.020   0.009  -1.547  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1       -0.339   1.363  -0.897  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.698   1.880  -1.355  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -2.813   0.986  -1.007  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1       -2.414  -0.426  -0.875  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -1.290  -0.801  -1.837  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -3.536   1.460   0.189  0.00  0.00    +0.121 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.854   0.746   0.418  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1       -5.117  -0.052   1.542  0.00  0.00    +0.045 A 
ATOM     16 CL   LIG    1       -3.944  -0.320   2.783  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -6.361  -0.676   1.694  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -7.355  -0.515   0.729  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -7.108   0.269  -0.393  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.870   0.894  -0.547  0.00  0.00    +0.006 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  21
ATOM     21  C   LIG    1        4.261  -1.150   0.626  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        5.096  -0.074   0.314  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        6.431  -0.042   0.756  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        6.924  -1.114   1.513  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        6.096  -2.187   1.835  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.771  -2.202   1.396  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.319   1.121   0.388  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        8.428   1.217   1.176  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.691   2.325   0.491  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.779   1.041  -0.890  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH   5  21
TORSDOF 5