REMARK  Name = BDB055572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.448  -2.750   0.881  0.00  0.00    -0.246 OA
ATOM      2  C   LIG    1        0.767  -1.769   0.631  0.00  0.00    +0.334 A 
ATOM      3  N   LIG    1        1.141  -0.419   0.323  0.00  0.00    -0.231 N 
ATOM      4  C   LIG    1       -0.040   0.285   0.128  0.00  0.00    +0.226 A 
ATOM      5  C   LIG    1       -1.105  -0.529   0.266  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1       -0.635  -1.781   0.566  0.00  0.00    -0.303 N 
ATOM      7  H   LIG    1       -1.188  -2.599   0.765  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.490   0.001   0.163  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        3.536  -0.650   0.832  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        4.862  -0.230   0.684  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.167   0.843  -0.147  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        4.148   1.491  -0.836  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.822   1.071  -0.685  0.00  0.00    +0.026 A 
ENDBRANCH   3   8
BRANCH   5  14
ATOM     14  C   LIG    1       -2.539  -0.242   0.182  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -3.072   0.961   0.664  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.445   1.216   0.597  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.305   0.268   0.048  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.794  -0.933  -0.435  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.421  -1.187  -0.368  0.00  0.00    +0.010 A 
ENDBRANCH   5  14
BRANCH   4  20
ATOM     20  O   LIG    1       -0.065   1.635  -0.057  0.00  0.00    -0.492 OA
ATOM     21  H   LIG    1        0.727   1.974   0.394  0.00  0.00    +0.294 HD
ENDBRANCH   4  20
TORSDOF 3