REMARK  Name = BDB020218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.996  -1.994  -1.043  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        3.760  -1.325  -0.721  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        2.502  -1.777  -1.076  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        2.198  -2.784  -1.684  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        1.548  -0.786  -0.563  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.265   0.220   0.081  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1        1.600   1.281   0.665  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.201   1.309   0.587  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -0.528   0.290  -0.076  0.00  0.00    -0.035 A 
ATOM     10  C   LIG    1        0.168  -0.782  -0.657  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        3.728  -0.067   0.004  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.048   0.314  -0.139  0.00  0.00    +0.106 C 
ATOM     13  C   LIG    1       -2.628   1.647  -0.613  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -2.054   2.414  -1.383  0.00  0.00    -0.275 OA
ATOM     15  N   LIG    1       -3.899   1.945  -0.175  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -4.285   2.817  -0.510  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -4.705   1.213   0.658  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.835   1.597   0.947  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.154  -0.106   1.139  0.00  0.00    +0.097 C 
ATOM     20  C   LIG    1       -2.636  -0.064   1.225  0.00  0.00    +0.026 C 
ENDBRANCH   9  12
TORSDOF 1