REMARK  Name = BDB049723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.292   0.170  -0.069  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1       -1.108  -0.975  -0.029  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -2.489  -0.893  -0.252  0.00  0.00    +0.078 A 
ATOM      4 CL   LIG    1       -3.444  -2.326  -0.192  0.00  0.00    -0.081 Cl
ATOM      5  C   LIG    1       -3.081   0.335  -0.519  0.00  0.00    +0.142 A 
ATOM      6  F   LIG    1       -4.400   0.434  -0.735  0.00  0.00    -0.204 F 
ATOM      7  C   LIG    1       -2.306   1.483  -0.565  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -0.926   1.400  -0.343  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  11
ATOM      9  O   LIG    1        1.471  -2.228   0.545  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        1.848  -1.070   0.436  0.00  0.00    +0.262 A 
ATOM     11  N   LIG    1        1.121   0.094   0.158  0.00  0.00    -0.246 N 
ATOM     12  S   LIG    1        2.129   1.490   0.111  0.00  0.00    -0.012 S 
ATOM     13  C   LIG    1        3.527   0.550   0.460  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1        3.284  -0.751   0.610  0.00  0.00    +0.079 A 
ENDBRANCH   1  11
TORSDOF 1