REMARK  Name = BDB046128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.382   0.480   1.207  0.00  0.00    -0.488 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.238  -1.025  -0.247  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        3.057  -0.668   1.093  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.829  -0.167   1.532  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.764  -0.007   0.644  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        0.933  -0.376  -0.690  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.162  -0.878  -1.133  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        4.564  -1.569  -0.733  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.715  -0.547  -0.788  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.316   0.680  -1.620  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        5.372   1.854  -1.288  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        4.936   0.363  -2.879  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        4.722   1.236  -3.272  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        6.134  -0.262   0.549  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        8.506  -0.707   0.717  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        7.418   0.350   0.647  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.389   1.020   0.346  0.00  0.00    +0.257 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.434  -0.028   0.080  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -3.778   0.121   0.086  0.00  0.00    -0.011 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.373   1.460   0.303  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1       -5.077   1.724   1.484  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -5.653   2.979   1.698  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -5.528   3.970   0.726  0.00  0.00    +0.018 A 
ATOM     24 BR   LIG    1       -6.308   5.668   1.013  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1       -4.837   3.718  -0.458  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -4.261   2.463  -0.670  0.00  0.00    +0.009 A 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     27  C   LIG    1       -4.610  -1.091  -0.142  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1       -4.417  -2.260   0.610  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -5.220  -3.384   0.398  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.229  -3.349  -0.561  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.440  -2.190  -1.306  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -5.637  -1.067  -1.095  0.00  0.00    +0.008 A 
ENDBRANCH  19  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11