REMARK  Name = BDB000226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.642  -1.112   2.037  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1        1.087  -0.454   0.757  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        0.282   0.086  -0.188  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        0.893   0.684  -1.370  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        2.224   0.719  -1.556  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        3.099   0.123  -0.514  0.00  0.00    +0.266 A 
ATOM      7  O   LIG    1        4.322   0.110  -0.601  0.00  0.00    -0.267 OA
ATOM      8  N   LIG    1        2.456  -0.423   0.573  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        3.069  -0.825   1.274  0.00  0.00    +0.169 HD
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1       -1.184   0.075  -0.035  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1       -1.939  -0.986  -0.536  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -3.313  -0.943  -0.378  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1       -3.966   0.069   0.231  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -3.215   1.088   0.700  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -1.836   1.139   0.592  0.00  0.00    +0.028 A 
ENDBRANCH   3  10
BRANCH   5  16
ATOM     16  C   LIG    1        2.803   1.304  -2.711  0.00  0.00    +0.105 C 
ATOM     17  N   LIG    1        3.217   1.797  -3.677  0.00  0.00    -0.191 NA
ENDBRANCH   5  16
TORSDOF 2