REMARK  Name = BDB017047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.582   0.367   0.506  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.059  -0.723   1.173  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1       -0.170  -0.382   1.491  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.466   0.879   1.058  0.00  0.00    -0.332 N 
ATOM      5  C   LIG    1        0.643   1.377   0.435  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.074  -0.557  -0.431  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        3.789  -0.657   0.101  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        2.934   0.427  -0.034  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.299   1.577  -0.660  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        4.549   1.643  -1.164  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        5.467   0.615  -1.077  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        5.727  -2.767   0.262  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.986  -1.713  -0.287  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.191  -1.494  -0.843  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.678  -2.329  -0.674  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.717   1.583   1.276  0.00  0.00    +0.157 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.811   1.070   0.372  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1       -3.872   0.312   0.894  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -4.891  -0.179   0.058  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1       -4.844   0.113  -1.312  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -3.795   0.864  -1.840  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.784   1.339  -1.004  0.00  0.00    +0.005 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -6.037  -0.974   0.634  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1       -7.060  -0.177   1.050  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -6.582  -1.853  -0.252  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -5.677  -1.715   1.720  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6