REMARK  Name = BDB031289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.468  -1.666   1.300  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1        4.494  -1.084   0.858  0.00  0.00    +0.325 A 
ATOM      3  N   LIG    1        3.156  -1.297   1.220  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1        2.865  -1.973   1.907  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        2.351  -0.432   0.486  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        3.179   0.330  -0.334  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        2.684   1.295  -1.174  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        1.294   1.481  -1.174  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        0.440   0.695  -0.349  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        0.984  -0.275   0.508  0.00  0.00    +0.054 A 
ATOM     11  N   LIG    1        4.490  -0.071  -0.111  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        5.324   0.289  -0.546  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1       -0.968   0.928  -0.375  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1       -2.006   0.050  -0.073  0.00  0.00    +0.073 A 
ATOM     15  C   LIG    1       -3.162   0.830  -0.177  0.00  0.00    +0.089 A 
ATOM     16  C   LIG    1       -4.419   0.261   0.085  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -4.497  -1.094   0.418  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -3.345  -1.874   0.472  0.00  0.00    +0.002 A 
ATOM     19  N   LIG    1       -2.872   2.107  -0.566  0.00  0.00    -0.235 NA
ATOM     20  C   LIG    1       -2.082  -1.324   0.219  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -1.567   2.128  -0.703  0.00  0.00    +0.205 A 
ENDBRANCH   9  13
TORSDOF 1