REMARK  Name = BDB025261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.063   0.203   0.253  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1       -0.821  -0.765  -0.358  0.00  0.00    +0.143 A 
ATOM      3  C   LIG    1       -2.162  -0.425  -0.202  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -3.118  -1.301  -0.744  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.656  -2.443  -1.397  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -1.288  -2.659  -1.489  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -2.201   0.811   0.507  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.213   1.674   0.962  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -2.826   2.836   1.628  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -1.474   3.089   1.808  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.460   2.298   1.390  0.00  0.00    -0.237 NA
ATOM     12  N   LIG    1       -0.327  -1.849  -0.993  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1       -0.881   1.181   0.761  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.113  -1.356  -0.582  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        3.985  -0.913  -0.383  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.098  -1.567   0.432  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.446  -2.408   0.872  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        1.927  -1.070   0.957  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        1.425  -1.608   1.944  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        1.391   0.212   0.329  0.00  0.00    +0.177 C 
ATOM     21  C   LIG    1        2.022   0.481  -1.040  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.536   0.419  -0.931  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1