REMARK  Name = BDB041954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.400   0.322  -0.002  0.00  0.00    -0.221 N 
ATOM      2  C   LIG    1        1.336   1.283  -0.276  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.169   2.460  -0.532  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.640   0.627  -0.221  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        2.426  -0.697   0.118  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.466  -1.593   0.260  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.760  -1.109   0.043  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.979   0.241  -0.304  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.908   1.130  -0.439  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.985  -0.881   0.280  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        0.461  -1.927   0.611  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  20
ATOM     12  C   LIG    1       -4.399  -0.555  -0.938  0.00  0.00    +0.133 C 
ATOM     13  N   LIG    1       -3.358  -0.005  -0.089  0.00  0.00    -0.286 N 
ATOM     14  C   LIG    1       -3.696   0.411   1.189  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -4.848   0.496   1.604  0.00  0.00    -0.252 OA
ATOM     16  N   LIG    1       -2.642   0.738   2.003  0.00  0.00    -0.238 N 
ATOM     17  H   LIG    1       -2.880   0.961   2.959  0.00  0.00    +0.159 HD
ATOM     18  C   LIG    1       -1.313   0.820   1.664  0.00  0.00    +0.243 C 
ATOM     19  O   LIG    1       -0.463   1.097   2.509  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -1.009   0.630   0.183  0.00  0.00    +0.188 C 
ATOM     21  C   LIG    1       -1.983  -0.408  -0.359  0.00  0.00    +0.141 C 
ENDBRANCH   1  20
TORSDOF 1