REMARK  Name = BDB046144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.500  -1.485   0.351  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        3.361  -1.188  -0.000  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1        2.832   0.171   0.258  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        1.472   0.520   0.252  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        1.042   1.814   0.533  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        1.975   2.820   0.826  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.332   2.497   0.847  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.322   1.906   0.475  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1       -0.764   0.691   0.214  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        0.303  -0.165   0.007  0.00  0.00    -0.322 N 
ATOM     11  C   LIG    1        0.216  -1.532  -0.466  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1        1.375  -1.923  -1.371  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        3.749   1.194   0.573  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1        2.605  -2.134  -0.641  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1        3.134  -2.980  -0.824  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1       -2.179   0.330   0.117  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -2.712  -0.750   0.836  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -4.066  -1.074   0.726  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.901  -0.316  -0.094  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.387   0.772  -0.796  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.033   1.097  -0.685  0.00  0.00    +0.011 A 
ENDBRANCH   9  16
TORSDOF 1