REMARK  Name = BDB041962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.091  -1.835  -0.454  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -0.654  -0.479  -0.099  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1       -2.067  -0.327   0.054  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.576   0.979   0.246  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -3.944   1.162   0.389  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -4.841   0.094   0.353  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.361  -1.194   0.170  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.794   2.063   0.292  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -0.458   1.887   0.173  0.00  0.00    +0.135 A 
ATOM     10  C   LIG    1       -2.990  -1.402   0.022  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        0.176   0.655   0.020  0.00  0.00    +0.059 A 
ENDROOT
BRANCH  11  12
ATOM     12  N   LIG    1        1.605   0.567   0.023  0.00  0.00    -0.253 N 
ATOM     13  C   LIG    1        2.393   1.563  -0.557  0.00  0.00    +0.313 C 
ATOM     14  O   LIG    1        1.986   2.465  -1.283  0.00  0.00    -0.252 OA
ATOM     15  N   LIG    1        3.743   1.454  -0.315  0.00  0.00    -0.240 N 
ATOM     16  H   LIG    1        4.313   2.157  -0.763  0.00  0.00    +0.159 HD
ATOM     17  C   LIG    1        4.402   0.318   0.070  0.00  0.00    +0.222 C 
ATOM     18  O   LIG    1        5.620   0.213  -0.045  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        3.542  -0.814   0.555  0.00  0.00    +0.115 C 
ATOM     20  C   LIG    1        2.230  -0.253   1.058  0.00  0.00    +0.124 C 
ENDBRANCH  11  12
TORSDOF 1