REMARK  Name = BDB064541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.633   0.443  -1.419  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.158   0.286  -0.123  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.291   0.065   0.953  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        1.900  -0.004   0.754  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.378   0.151  -0.538  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -0.006   0.084  -0.718  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.856  -0.136   0.373  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -2.319  -0.180   0.248  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -3.143   0.579   1.121  0.00  0.00    +0.133 A 
ATOM     10  C   LIG    1       -4.533   0.604   1.005  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1       -5.094  -0.176   0.022  0.00  0.00    +0.170 A 
ATOM     12  O   LIG    1       -6.421  -0.296  -0.239  0.00  0.00    -0.452 OA
ATOM     13  C   LIG    1       -6.405  -1.207  -1.360  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -5.071  -1.631  -1.722  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -4.324  -0.936  -0.825  0.00  0.00    +0.167 A 
ATOM     16  O   LIG    1       -2.572   1.388   2.067  0.00  0.00    -0.489 OA
ATOM     17  C   LIG    1       -2.001   0.660   3.162  0.00  0.00    +0.250 C 
ATOM     18  C   LIG    1       -1.202  -0.587   2.785  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -2.945  -0.959  -0.742  0.00  0.00    +0.063 A 
ATOM     20  N   LIG    1       -0.325  -0.295   1.619  0.00  0.00    -0.343 N 
ATOM     21  C   LIG    1        1.014  -0.225   1.812  0.00  0.00    +0.095 A 
ATOM     22  C   LIG    1        2.250   0.375  -1.617  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  24
ATOM     23  C   LIG    1        4.076   0.847  -3.741  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        4.550   0.655  -2.415  0.00  0.00    -0.491 OA
ENDBRANCH   1  24
BRANCH   2  25
ATOM     25  O   LIG    1        5.522   0.364  -0.016  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.113   0.239   1.269  0.00  0.00    +0.277 C 
ENDBRANCH   2  25
TORSDOF 2