REMARK  Name = BDB020228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.650  -0.278  -3.128  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        2.368  -0.342  -1.714  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.136  -0.233  -1.124  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.376  -0.343   0.239  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.290  -0.243   1.123  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.002  -0.048   0.604  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -1.249   0.020  -0.771  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        2.784  -0.530   0.358  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1       -0.152  -0.042  -1.650  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        3.378  -0.536  -0.844  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.569  -0.725   1.623  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.615   0.569   2.417  0.00  0.00    +0.228 C 
ATOM     13  O   LIG    1        2.719   0.902   3.193  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1        4.713   1.374   2.245  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1        4.721   2.220   2.798  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        5.922   1.023   1.704  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        6.907   1.742   1.847  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        5.969  -0.263   0.918  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1        4.983  -1.290   1.459  0.00  0.00    +0.028 C 
ENDBRANCH   8  11
BRANCH   7  20
ATOM     20  N   LIG    1       -2.508   0.274  -1.327  0.00  0.00    -0.341 N 
ATOM     21  H   LIG    1       -2.575  -0.089  -2.274  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.746   0.151  -0.549  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1       -4.906  -0.279  -1.471  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -6.239   0.363  -1.083  0.00  0.00    +0.082 C 
ATOM     25  N   LIG    1       -6.392   0.476   0.363  0.00  0.00    -0.316 NA
ATOM     26  H   LIG    1       -6.343  -0.452   0.784  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -5.365   1.340   0.956  0.00  0.00    +0.082 C 
ATOM     28  C   LIG    1       -4.087   1.481   0.125  0.00  0.00    +0.037 C 
ENDBRANCH  20  22
ENDBRANCH   7  20
TORSDOF 3