REMARK  Name = BDB002234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.438  -0.728   0.860  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -1.193  -0.114  -0.153  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -2.404  -0.677  -0.571  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -2.847  -1.861   0.037  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1       -2.105  -2.479   1.042  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.899  -1.911   1.453  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.858  -0.169   1.338  0.00  0.00    +0.339 C 
ATOM      8  O   LIG    1        1.543  -0.703   2.195  0.00  0.00    -0.245 OA
BRANCH   7   9
ATOM      9  O   LIG    1        1.148   0.986   0.690  0.00  0.00    -0.461 OA
BRANCH   9  10
ATOM     10  C   LIG    1        2.384   1.616   1.058  0.00  0.00    +0.232 C 
BRANCH  10  12
ATOM     11  C   LIG    1        3.376   1.215  -1.238  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1        3.553   1.038   0.264  0.00  0.00    +0.038 C 
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  13
ATOM     13  O   LIG    1       -3.214  -0.160  -1.548  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -2.796   1.037  -2.187  0.00  0.00    +0.277 C 
ENDBRANCH   3  13
BRANCH   4  15
ATOM     15  O   LIG    1       -4.032  -2.416  -0.369  0.00  0.00    -0.503 OA
ATOM     16  H   LIG    1       -4.199  -3.224   0.140  0.00  0.00    +0.292 HD
ENDBRANCH   4  15
TORSDOF 6