REMARK  Name = BDB051447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.144   0.418   0.773  0.00  0.00    +0.215 C 
ATOM      2  C   LIG    1        0.102   0.821  -0.044  0.00  0.00    +0.113 C 
ATOM      3  C   LIG    1       -0.047   2.312  -0.339  0.00  0.00    +0.065 C 
ATOM      4  N   LIG    1        0.348   2.899  -1.425  0.00  0.00    -0.215 NA
ATOM      5  C   LIG    1        0.884   2.154  -2.414  0.00  0.00    +0.249 A 
ATOM      6  N   LIG    1        0.870   0.786  -2.404  0.00  0.00    -0.221 N 
ATOM      7  N   LIG    1        1.322   0.269  -3.564  0.00  0.00    -0.156 NA
ATOM      8  C   LIG    1        1.691   1.380  -4.204  0.00  0.00    +0.247 A 
ATOM      9  N   LIG    1        1.440   2.545  -3.540  0.00  0.00    -0.198 NA
ATOM     10  C   LIG    1       -0.636   3.136   0.745  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -1.158   2.498   1.868  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1       -1.658   3.252   2.929  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -1.667   4.646   2.852  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -1.167   5.286   1.718  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -0.648   4.534   0.663  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        0.273  -0.009  -1.341  0.00  0.00    +0.154 C 
ATOM     17  O   LIG    1       -1.193   1.142   2.017  0.00  0.00    -0.483 OA
ENDROOT
BRANCH   1  22
ATOM     18 BR   LIG    1       -1.345  -5.604   2.278  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -1.298  -3.764   1.847  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1       -2.281  -3.222   1.023  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -2.236  -1.866   0.687  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -1.203  -1.045   1.169  0.00  0.00    -0.007 A 
ATOM     23  C   LIG    1       -0.237  -1.606   2.021  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -0.280  -2.962   2.354  0.00  0.00    +0.015 A 
ENDBRANCH   1  22
BRANCH  16  25
ATOM     25  C   LIG    1        1.078  -1.291  -1.126  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        2.375  -1.268  -0.582  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.079  -2.455  -0.366  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        2.499  -3.675  -0.704  0.00  0.00    +0.018 A 
ATOM     29 BR   LIG    1        3.443  -5.282  -0.393  0.00  0.00    -0.050 Br
ATOM     30  C   LIG    1        1.230  -3.719  -1.272  0.00  0.00    +0.015 A 
ATOM     31  C   LIG    1        0.527  -2.532  -1.491  0.00  0.00    +0.007 A 
ENDBRANCH  16  25
TORSDOF 2