REMARK  Name = BDB051875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.988   2.028   1.956  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -0.502   1.210   1.185  0.00  0.00    +0.194 A 
ATOM      3  C   LIG    1       -1.288   0.247   0.373  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.547  -0.607  -0.449  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1       -1.181  -1.549  -1.252  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -2.568  -1.647  -1.242  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.341  -0.807  -0.430  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -4.740  -0.938  -0.450  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.551  -0.127   0.338  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.971   0.828   1.157  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.580   0.971   1.187  0.00  0.00    +0.009 A 
ATOM     12  O   LIG    1        0.822  -0.597  -0.537  0.00  0.00    -0.454 OA
ATOM     13  C   LIG    1        1.553   0.300   0.220  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1       -2.716   0.164   0.400  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1        0.966   1.174   1.048  0.00  0.00    +0.098 A 
ENDROOT
BRANCH  13  16
ATOM     16  C   LIG    1        3.031   0.204   0.028  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1        3.600  -0.734  -0.857  0.00  0.00    +0.134 A 
ATOM     18  F   LIG    1        2.832  -1.579  -1.564  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        4.980  -0.837  -1.047  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        5.843   0.002  -0.353  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        5.319   0.940   0.529  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.933   1.039   0.717  0.00  0.00    +0.014 A 
ENDBRANCH  13  16
TORSDOF 1