REMARK  Name = BDB025309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.174  -0.028   0.345  0.00  0.00    -0.317 N 
ATOM      2  C   LIG    1       -0.142   1.312   0.418  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -1.507   1.449   0.174  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -2.044   2.746   0.210  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -1.176   3.801   0.486  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.167   3.526   0.705  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1       -2.016   0.145  -0.066  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.410  -0.289  -0.372  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -3.432  -1.720  -0.938  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1       -2.532  -2.669  -0.130  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1       -1.058  -2.224  -0.134  0.00  0.00    +0.054 C 
ATOM     12  N   LIG    1        0.739   2.301   0.676  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1       -0.962  -0.746   0.054  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.584   0.030   1.091  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.381  -0.062   0.866  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.453   0.244   1.827  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.835   0.498   2.728  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        2.135  -0.151   1.843  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        1.546  -0.267   2.917  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        1.527  -0.554   0.503  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1        2.422  -0.161  -0.678  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.845  -0.626  -0.428  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1