REMARK  Name = BDB062905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.069   0.337  -0.171  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        0.735   0.416  -0.586  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -0.306   0.064   0.286  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        0.028  -0.354   1.585  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        1.361  -0.415   2.006  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.385  -0.065   1.130  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.703   0.129  -0.137  0.00  0.00    +0.135 A 
ATOM      8  O   LIG    1       -1.924   0.412  -1.457  0.00  0.00    -0.463 OA
ATOM      9  C   LIG    1       -3.266   0.427  -1.653  0.00  0.00    +0.196 A 
ATOM     10  C   LIG    1       -3.925   0.155  -0.479  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -2.919  -0.038   0.499  0.00  0.00    +0.050 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     12  O   LIG    1        3.069   1.701  -1.843  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        3.132   0.719  -1.127  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        4.155  -0.162  -1.141  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        3.987  -0.983  -0.642  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 3