REMARK  Name = BDB063713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.804  -2.320   0.124  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1       -1.992  -3.041  -0.941  0.00  0.00    +0.108 C 
ATOM      3  S   LIG    1       -0.248  -2.496  -1.039  0.00  0.00    -0.131 S 
ATOM      4  C   LIG    1       -0.686  -0.741  -1.043  0.00  0.00    +0.169 C 
ATOM      5  N   LIG    1       -1.361  -0.454   0.200  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -0.670   0.658   0.515  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1       -0.829   1.518   1.346  0.00  0.00    -0.273 OA
ATOM      8  CA  LIG    1        0.396   0.293  -0.592  0.00  0.00    +0.191 C 
ATOM      9  CA  LIG    1       -2.462  -1.115   0.637  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1        1.679  -0.264  -0.089  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        1.766  -1.274   0.001  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1        2.914   0.345  -0.079  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        3.900  -0.382   0.046  0.00  0.00    -0.267 OA
BRANCH  12  14
ATOM     14  C   LIG    1        2.994   1.782  -0.234  0.00  0.00    +0.189 A 
ATOM     15  O   LIG    1        4.051   2.284  -0.948  0.00  0.00    -0.454 OA
ATOM     16  C   LIG    1        3.933   3.641  -0.970  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        2.821   4.026  -0.252  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        2.223   2.834   0.225  0.00  0.00    +0.055 A 
BRANCH  16  19
ATOM     19  C   LIG    1        4.980   4.380  -1.700  0.00  0.00    +0.154 C 
ATOM     20 BR   LIG    1        4.262   4.937  -3.421  0.00  0.00    -0.084 Br
ENDBRANCH  16  19
ENDBRANCH  12  14
ENDBRANCH   8  10
BRANCH   1  22
ATOM     21  C   LIG    1       -4.165  -3.543   1.786  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -3.976  -3.077   0.545  0.00  0.00    -0.001 C 
ENDBRANCH   1  22
BRANCH   9  23
ATOM     23  C   LIG    1       -3.252  -0.483   1.721  0.00  0.00    +0.352 C 
ATOM     24  O   LIG    1       -4.351   0.029   1.605  0.00  0.00    -0.244 OA
BRANCH  23  25
ATOM     25  OXT LIG    1       -2.591  -0.528   2.891  0.00  0.00    -0.476 OA
ATOM     26  HXT LIG    1       -3.155  -0.013   3.503  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   9  23
TORSDOF 6