REMARK  Name = BDB058161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.872   1.755  -2.127  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        2.319   1.090  -1.259  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        3.065   0.230  -0.329  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        2.323  -0.512   0.593  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        3.007  -1.340   1.486  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        4.402  -1.423   1.454  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        5.129  -0.675   0.526  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.921  -0.458   0.655  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        0.297   0.329  -0.163  0.00  0.00    +0.142 A 
ATOM     10  C   LIG    1        4.461   0.156  -0.372  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1        0.956   1.095  -1.099  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        0.456   1.649  -1.777  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.186   0.426  -0.140  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -1.920  -0.696   0.273  0.00  0.00    +0.061 A 
ATOM     15  C   LIG    1       -3.295  -0.594   0.290  0.00  0.00    +0.167 A 
ATOM     16  O   LIG    1       -4.160  -1.579   0.652  0.00  0.00    -0.453 OA
ATOM     17  C   LIG    1       -5.426  -0.907   0.482  0.00  0.00    +0.466 C 
ATOM     18  O   LIG    1       -5.293   0.453   0.017  0.00  0.00    -0.453 OA
ATOM     19  C   LIG    1       -3.942   0.564  -0.073  0.00  0.00    +0.166 A 
ATOM     20  C   LIG    1       -3.251   1.689  -0.469  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -1.853   1.619  -0.499  0.00  0.00    +0.015 A 
ENDBRANCH   9  13
TORSDOF 1