REMARK  Name = BDB050001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.899  -0.167  -0.930  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        0.006  -0.174   0.159  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -0.912   0.901   0.245  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -1.820   0.934   1.313  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -1.814  -0.072   2.267  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.895  -1.086   2.122  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -0.927   1.926  -0.716  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.036   1.911  -1.780  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -0.004  -1.154   1.107  0.00  0.00    -0.254 NA
ATOM     10  C   LIG    1        0.874   0.868  -1.887  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        1.991  -2.260  -0.255  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        1.358  -2.291   0.541  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        2.675  -2.989  -0.388  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        1.922  -1.235  -1.151  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        2.688  -1.203  -2.109  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
TORSDOF 1