REMARK  Name = BDB064697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.253  -0.771  -2.349  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        2.471  -0.434  -1.465  0.00  0.00    +0.188 C 
ATOM      3  C   LIG    1        2.386   0.971  -0.973  0.00  0.00    +0.017 C 
ATOM      4  C   LIG    1        3.476   1.735  -1.180  0.00  0.00    +0.018 C 
ATOM      5  C   LIG    1        1.133   1.436  -0.290  0.00  0.00    +0.147 C 
ATOM      6  N   LIG    1        0.273   0.340   0.140  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -1.034   0.670   0.502  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1       -1.426   1.837   0.446  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        0.925  -0.918   0.457  0.00  0.00    +0.147 C 
ATOM     10  C   LIG    1        1.565  -1.409  -0.797  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.406  -2.613  -1.378  0.00  0.00    +0.018 C 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        3.583   3.138  -0.761  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1        4.136   3.527   0.469  0.00  0.00    +0.025 A 
ATOM     14 BR   LIG    1        4.812   2.259   1.714  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1        4.199   4.880   0.820  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        3.708   5.851  -0.053  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.157   5.474  -1.276  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.094   4.125  -1.629  0.00  0.00    +0.009 A 
ENDBRANCH   4  12
BRANCH  11  19
ATOM     19  C   LIG    1        0.533  -3.669  -0.855  0.00  0.00    -0.011 A 
ATOM     20  C   LIG    1       -0.781  -3.863  -1.309  0.00  0.00    +0.025 A 
ATOM     21 BR   LIG    1       -1.546  -2.783  -2.673  0.00  0.00    -0.050 Br
ATOM     22  C   LIG    1       -1.579  -4.870  -0.755  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -1.070  -5.691   0.251  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        0.236  -5.511   0.703  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        1.034  -4.506   0.154  0.00  0.00    +0.009 A 
ENDBRANCH  11  19
BRANCH   7  26
ATOM     26  C   LIG    1       -1.937  -0.468   0.968  0.00  0.00    +0.131 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.405  -0.117   1.034  0.00  0.00    -0.039 A 
ATOM     28  C   LIG    1       -3.967   0.380   2.218  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.323   0.705   2.275  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.128   0.541   1.150  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.578   0.059  -0.036  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.222  -0.267  -0.095  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 4