REMARK  Name = BDB020214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.692   0.341  -0.380  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -3.258   0.451  -0.458  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -2.357  -0.065   0.441  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -1.117   0.319  -0.066  0.00  0.00    +0.093 A 
ATOM      5  C   LIG    1        0.070  -0.033   0.612  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -0.073  -0.798   1.790  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -1.329  -1.171   2.279  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1       -1.265   1.023  -1.240  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -2.502  -0.809   1.615  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -2.561   1.089  -1.443  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.430   0.353   0.066  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1        2.388   0.926   1.107  0.00  0.00    +0.227 C 
ATOM     13  O   LIG    1        2.038   1.507   2.132  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1        3.730   0.805   0.821  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1        4.360   1.201   1.505  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1        4.319   0.160  -0.237  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.541   0.110  -0.347  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.389  -0.425  -1.270  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1        2.070  -0.845  -0.642  0.00  0.00    +0.027 C 
ENDBRANCH   5  11
TORSDOF 1