REMARK  Name = BDB051424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.549   0.681  -0.894  0.00  0.00    +0.034 C 
ATOM      2  C   LIG    1       -1.275  -0.572  -0.053  0.00  0.00    +0.112 C 
ATOM      3  C   LIG    1       -2.514  -1.478  -0.068  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.972  -0.245   1.412  0.00  0.00    +0.321 C 
ATOM      5  O   LIG    1       -0.363  -0.935   2.216  0.00  0.00    -0.249 OA
BRANCH   4   6
ATOM      6  O   LIG    1       -1.525   0.911   1.838  0.00  0.00    -0.480 OA
ATOM      7  H   LIG    1       -1.278   0.956   2.786  0.00  0.00    +0.295 HD
ENDBRANCH   4   6
ENDBRANCH   2   4
BRANCH   2   8
ATOM      8  S   LIG    1        0.111  -1.543  -0.795  0.00  0.00    -0.101 S 
BRANCH   8   9
ATOM      9  C   LIG    1        1.469  -0.437  -0.691  0.00  0.00    +0.047 A 
ATOM     10  S   LIG    1        1.987   0.495  -2.032  0.00  0.00    -0.070 S 
ATOM     11  C   LIG    1        3.244   1.181  -1.132  0.00  0.00    +0.079 A 
ATOM     12 CL   LIG    1        4.285   2.336  -1.861  0.00  0.00    -0.076 Cl
ATOM     13  C   LIG    1        3.314   0.713   0.154  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        2.284  -0.243   0.407  0.00  0.00    +0.024 A 
ENDBRANCH   8   9
ENDBRANCH   2   8
TORSDOF 4