REMARK  Name = BDB017714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.770  -2.431  -0.832  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.987  -1.525  -0.564  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.347  -0.423   0.367  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.737  -0.447   0.949  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.142   0.888   1.588  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -5.992   1.485   2.392  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -4.819   1.577   1.540  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.034   2.105   1.921  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.468   0.553   0.673  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.114   0.534   0.074  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.792  -0.495  -0.824  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.535  -0.565  -1.435  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.554   0.396  -1.153  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -0.860   1.422  -0.255  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -2.119   1.482   0.346  0.00  0.00    +0.135 A 
ATOM     16  F   LIG    1       -2.343   2.481   1.217  0.00  0.00    -0.205 F 
ATOM     17  N   LIG    1       -3.737  -1.484  -1.113  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -3.512  -2.240  -1.746  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  19
ATOM     19  C   LIG    1        0.806   0.325  -1.817  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.508  -0.938  -1.547  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        2.717  -1.076  -2.393  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        4.025  -0.518  -1.782  0.00  0.00    +0.120 C 
ATOM     23  N   LIG    1        4.304  -1.096  -0.445  0.00  0.00    -0.327 N 
ATOM     24  C   LIG    1        3.170  -1.825   0.157  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        1.848  -1.075  -0.106  0.00  0.00    +0.103 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.178  -0.340   0.343  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        6.430   0.042  -0.178  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1        7.341   0.795   0.569  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        7.011   1.178   1.858  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        7.878   1.901   2.579  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        5.791   0.819   2.409  0.00  0.00    +0.040 A 
ATOM     32  C   LIG    1        4.885   0.063   1.656  0.00  0.00    +0.026 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  13  19
TORSDOF 3