REMARK  Name = BDB050727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.366  -0.002   0.039  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        0.516   1.366  -0.163  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1        1.564   2.030   0.348  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1       -0.426   2.054  -0.915  0.00  0.00    +0.159 A 
ATOM      5  F   LIG    1       -0.273   3.366  -1.140  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1       -1.536   1.399  -1.446  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -1.727   0.029  -1.212  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -0.759  -0.668  -0.473  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1        7.521   0.275  -0.936  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1        6.924  -0.292   0.327  0.00  0.00    +0.213 C 
ATOM     11  N   LIG    1        5.538  -0.387   0.388  0.00  0.00    -0.299 N 
ATOM     12  C   LIG    1        4.946  -0.769   1.675  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        3.571  -1.429   1.527  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        2.682  -0.668   0.645  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1        1.312  -0.765   0.875  0.00  0.00    +0.250 C 
ATOM     16  O   LIG    1        0.823  -1.469   1.757  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        3.273  -0.338  -0.657  0.00  0.00    +0.127 C 
ATOM     18  C   LIG    1        4.640   0.344  -0.515  0.00  0.00    +0.126 C 
ATOM     19  O   LIG    1        7.657  -0.663   1.244  0.00  0.00    -0.276 OA
ENDBRANCH   1  15
BRANCH   7  20
ATOM     20  C   LIG    1       -2.933  -0.696  -1.767  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.254  -0.017  -1.430  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1       -4.853  -0.177  -0.080  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -6.056   0.484   0.163  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -6.685   0.389   1.410  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -6.104  -0.372   2.422  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.902  -1.036   2.187  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.664   1.288  -0.910  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1       -7.723   1.883  -0.743  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.976   1.329  -2.098  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1       -6.383   1.879  -2.849  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1       -4.275  -0.943   0.940  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1       -4.801   0.701  -2.367  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 3