REMARK  Name = BDB000771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.686  -0.933  -0.090  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1        0.801  -1.937  -0.005  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   7
ATOM      3  F   LIG    1       -4.628   0.459  -0.896  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -3.346   0.133  -0.685  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -2.821  -1.003  -1.282  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.483  -1.339  -1.058  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.660  -0.549  -0.234  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -1.220   0.595   0.349  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -2.559   0.934   0.129  0.00  0.00    +0.040 A 
ENDBRANCH   1   7
BRANCH   1  10
ATOM     10  C   LIG    1        1.772  -0.225   0.302  0.00  0.00    +0.163 A 
ATOM     11  S   LIG    1        2.017   1.466   0.013  0.00  0.00    -0.045 S 
ATOM     12  C   LIG    1        3.541   1.365   0.740  0.00  0.00    +0.076 A 
ATOM     13 BR   LIG    1        4.725   2.838   0.964  0.00  0.00    -0.041 Br
ATOM     14  C   LIG    1        3.809   0.081   1.133  0.00  0.00    +0.136 A 
ATOM     15  N   LIG    1        2.802  -0.827   0.863  0.00  0.00    -0.232 NA
ENDBRANCH   1  10
TORSDOF 2