REMARK  Name = BDB063716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.890  -0.643  -0.098  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1       -1.963  -1.835   0.112  0.00  0.00    +0.108 C 
ATOM      3  S   LIG    1       -0.193  -1.402   0.136  0.00  0.00    -0.131 S 
ATOM      4  C   LIG    1       -0.287  -0.501  -1.433  0.00  0.00    +0.169 C 
ATOM      5  N   LIG    1       -1.222   0.586  -1.263  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -0.357   1.601  -1.474  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1       -0.460   2.802  -1.388  0.00  0.00    -0.273 OA
ATOM      8  CA  LIG    1        0.795   0.583  -1.730  0.00  0.00    +0.191 C 
ATOM      9  CA  LIG    1       -2.459   0.499  -0.695  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1        1.958   0.678  -0.816  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        1.967   1.337  -0.042  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1        3.012  -0.205  -0.897  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        3.063  -1.068  -1.771  0.00  0.00    -0.267 OA
BRANCH  12  14
ATOM     14  C   LIG    1        4.022  -0.023   0.121  0.00  0.00    +0.191 A 
ATOM     15  O   LIG    1        3.868   0.973   1.050  0.00  0.00    -0.444 OA
ATOM     16  C   LIG    1        4.945   0.920   1.878  0.00  0.00    +0.171 A 
ATOM     17 BR   LIG    1        5.221   2.093   3.349  0.00  0.00    -0.008 Br
ATOM     18  C   LIG    1        5.794  -0.094   1.499  0.00  0.00    +0.058 A 
ATOM     19  C   LIG    1        5.200  -0.703   0.366  0.00  0.00    +0.056 A 
ENDBRANCH  12  14
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1       -4.835  -1.937   0.830  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -4.258  -0.801   0.414  0.00  0.00    -0.001 C 
ENDBRANCH   1  21
BRANCH   9  22
ATOM     22  C   LIG    1       -3.308   1.724  -0.780  0.00  0.00    +0.352 C 
ATOM     23  O   LIG    1       -3.912   2.267   0.127  0.00  0.00    -0.244 OA
BRANCH  22  24
ATOM     24  OXT LIG    1       -3.364   2.183  -2.046  0.00  0.00    -0.476 OA
ATOM     25  HXT LIG    1       -3.863   3.022  -1.968  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH   9  22
TORSDOF 5