REMARK  Name = BDB033815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.258  -2.097   0.218  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1       -0.302  -1.023   0.399  0.00  0.00    +0.235 A 
ATOM      3  C   LIG    1       -1.662  -0.796  -0.107  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -2.307   0.391   0.216  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1       -3.603   0.618  -0.252  0.00  0.00    +0.202 A 
ATOM      6  C   LIG    1       -4.243  -0.341  -1.040  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1       -3.596  -1.533  -1.364  0.00  0.00    +0.050 A 
ATOM      8  O   LIG    1       -1.729   1.363   0.990  0.00  0.00    -0.443 OA
ATOM      9  C   LIG    1       -0.416   1.191   1.423  0.00  0.00    +0.254 A 
ATOM     10  C   LIG    1       -2.301  -1.762  -0.894  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        0.327   0.103   1.147  0.00  0.00    +0.222 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        0.085   2.359   2.219  0.00  0.00    +0.454 C 
ATOM     13  F   LIG    1        1.283   2.169   2.823  0.00  0.00    -0.163 F 
ATOM     14  F   LIG    1       -0.792   2.692   3.202  0.00  0.00    -0.163 F 
ATOM     15  F   LIG    1        0.216   3.459   1.431  0.00  0.00    -0.163 F 
ENDBRANCH   9  12
BRANCH   6  16
ATOM     16  O   LIG    1       -5.510  -0.100  -1.490  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1       -5.819  -0.857  -2.013  0.00  0.00    +0.292 HD
ENDBRANCH   6  16
BRANCH   5  18
ATOM     18  O   LIG    1       -4.262   1.779   0.056  0.00  0.00    -0.501 OA
ATOM     19  H   LIG    1       -3.686   2.315   0.626  0.00  0.00    +0.292 HD
ENDBRANCH   5  18
BRANCH  11  20
ATOM     20  O   LIG    1        1.629  -0.033   1.600  0.00  0.00    -0.448 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.615  -0.215   0.657  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1        2.693   0.541  -0.516  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        3.746   0.328  -1.408  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.723  -0.627  -1.122  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.653  -1.367   0.059  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.603  -1.155   0.952  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 5