REMARK  Name = BDB056236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.662   1.146  -2.593  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        2.203   0.689  -1.553  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        3.055   0.123  -0.496  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        2.416  -0.406   0.627  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        3.201  -0.953   1.644  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        4.596  -0.971   1.536  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        5.219  -0.440   0.406  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        1.018  -0.408   0.772  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        0.300   0.121  -0.167  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1        4.449   0.110  -0.618  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1        0.854   0.665  -1.304  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        0.282   1.010  -2.059  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.184   0.146  -0.062  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -1.950   1.153  -0.661  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.344   1.142  -0.537  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -3.991   0.127   0.186  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -3.215  -0.865   0.802  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -1.822  -0.855   0.680  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -5.494   0.132   0.338  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1       -6.019  -1.114   0.504  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -5.903   0.858   1.413  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -6.135   0.664  -0.740  0.00  0.00    -0.166 F 
ENDBRANCH  16  19
ENDBRANCH   9  13
TORSDOF 2