REMARK  Name = BDB047728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.487  -0.258  -0.367  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1        1.232   0.858  -0.772  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        2.582   0.969  -0.431  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        3.191  -0.035   0.319  0.00  0.00    +0.041 A 
ATOM      5 CL   LIG    1        4.853   0.102   0.741  0.00  0.00    -0.084 Cl
ATOM      6  C   LIG    1        2.462  -1.148   0.731  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        1.112  -1.259   0.390  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -0.978  -0.366  -0.715  0.00  0.00    +0.046 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.851   0.274   0.361  0.00  0.00    +0.125 C 
BRANCH   9  11
ATOM     10  O   LIG    1       -3.765  -0.359  -0.991  0.00  0.00    -0.251 OA
ATOM     11  C   LIG    1       -3.314   0.166   0.014  0.00  0.00    +0.305 C 
BRANCH  11  12
ATOM     12  O   LIG    1       -4.108   0.728   0.955  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1       -3.620   1.113   1.707  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   1   8
TORSDOF 4