REMARK  Name = BDB064547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.145   0.466  -0.179  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        3.229  -0.538   0.190  0.00  0.00    +0.171 A 
ATOM      3  C   LIG    1        1.832  -0.295   0.126  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        1.363   0.972  -0.254  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.014   1.204  -0.309  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.921   0.185   0.007  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -2.378   0.366  -0.077  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -3.181  -0.549  -0.825  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -4.565  -0.351  -0.942  0.00  0.00    +0.073 A 
ATOM     10  C   LIG    1       -5.120   0.745  -0.318  0.00  0.00    +0.168 A 
ATOM     11  O   LIG    1       -6.436   1.081  -0.325  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1       -6.417   2.294   0.459  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1       -5.097   2.634   0.940  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1       -4.358   1.628   0.404  0.00  0.00    +0.167 A 
ATOM     15  N   LIG    1       -2.591  -1.684  -1.419  0.00  0.00    -0.342 N 
ATOM     16  H   LIG    1       -3.219  -2.108  -2.109  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -2.084  -2.693  -0.476  0.00  0.00    +0.123 C 
ATOM     18  C   LIG    1       -1.382  -2.130   0.764  0.00  0.00    +0.140 C 
ATOM     19  C   LIG    1       -2.995   1.471   0.542  0.00  0.00    +0.061 A 
ATOM     20  N   LIG    1       -0.449  -1.037   0.381  0.00  0.00    -0.344 N 
ATOM     21  C   LIG    1        2.281   1.976  -0.579  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        0.882  -1.276   0.433  0.00  0.00    +0.098 A 
ATOM     23  C   LIG    1        3.655   1.723  -0.547  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1        6.405   1.118  -0.646  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        5.475   0.146  -0.183  0.00  0.00    -0.491 OA
ENDBRANCH   1  25
BRANCH   2  26
ATOM     26  O   LIG    1        3.561  -1.819   0.578  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        4.769  -1.977   1.319  0.00  0.00    +0.277 C 
ENDBRANCH   2  26
TORSDOF 2