REMARK  Name = BDB060519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.135   0.048   0.678  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.032   1.153   0.139  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -2.091   1.414  -1.228  0.00  0.00    -0.143 N 
ATOM      4  O   LIG    1       -1.464   0.731  -2.095  0.00  0.00    -0.164 OA
ATOM      5  C   LIG    1       -2.904   2.453  -1.675  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1       -3.667   3.228  -0.808  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.625   2.959   0.550  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.816   1.929   1.024  0.00  0.00    +0.026 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      9  C   LIG    1       -1.698  -1.380   0.623  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -2.509  -1.850  -0.422  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -2.987  -3.165  -0.426  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.653  -4.029   0.612  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -3.299  -5.805   0.603  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -1.839  -3.594   1.652  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -1.362  -2.281   1.654  0.00  0.00    +0.006 A 
ENDBRANCH   1   9
BRANCH   1  19
ATOM     16  C   LIG    1        3.070   0.460  -0.289  0.00  0.00    +0.132 A 
ATOM     17  C   LIG    1        2.293  -0.437  -1.015  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        0.937  -0.576  -0.710  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        0.347   0.183   0.313  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        1.150   1.109   1.009  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.506   1.252   0.707  0.00  0.00    +0.046 A 
BRANCH  16  22
ATOM     22  O   LIG    1        4.412   0.599  -0.668  0.00  0.00    -0.426 OA
BRANCH  22  24
ATOM     23  C   LIG    1        6.725   0.592  -0.267  0.00  0.00    +0.136 C 
ATOM     24  C   LIG    1        5.362   0.401   0.328  0.00  0.00    +0.309 C 
ATOM     25  O   LIG    1        5.157   0.116   1.501  0.00  0.00    -0.251 OA
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 5