REMARK  Name = BDB000772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.705  -0.872   0.313  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1        0.946  -1.818   0.036  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   7
ATOM      3  F   LIG    1       -4.716   0.128  -0.350  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -3.404  -0.100  -0.203  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -2.970  -1.336   0.252  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.600  -1.568   0.403  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.653  -0.573   0.098  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -1.125   0.666  -0.355  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -2.495   0.902  -0.509  0.00  0.00    +0.040 A 
ENDBRANCH   1   7
BRANCH   1  10
ATOM     10  C   LIG    1        1.776  -0.058   0.467  0.00  0.00    +0.163 A 
ATOM     11  S   LIG    1        1.739   1.506   1.207  0.00  0.00    -0.059 S 
ATOM     12  C   LIG    1        3.431   1.650   1.009  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1        3.917   0.503   0.431  0.00  0.00    +0.115 A 
ATOM     14 BR   LIG    1        5.751   0.227   0.049  0.00  0.00    -0.028 Br
ATOM     15  N   LIG    1        2.985  -0.468   0.143  0.00  0.00    -0.218 NA
ENDBRANCH   1  10
TORSDOF 2