REMARK  Name = BDB047572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.783   0.383  -0.040  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        0.149   1.603   0.245  0.00  0.00    +0.158 A 
ATOM      3  C   LIG    1       -1.232   1.675   0.439  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.002   0.516   0.349  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.380  -0.703   0.066  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.006  -0.774  -0.129  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.810  -0.787  -0.500  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1        2.141   0.433  -0.210  0.00  0.00    -0.491 OA
ENDBRANCH   1   8
BRANCH   2   9
ATOM      9  O   LIG    1        0.905   2.742   0.334  0.00  0.00    -0.503 OA
ATOM     10  H   LIG    1        0.331   3.497   0.534  0.00  0.00    +0.292 HD
ENDBRANCH   2   9
BRANCH   5  11
ATOM     11  C   LIG    1       -2.202  -1.926  -0.028  0.00  0.00    +0.258 C 
ATOM     12  O   LIG    1       -1.713  -3.022  -0.274  0.00  0.00    -0.296 OA
ENDBRANCH   5  11
TORSDOF 3