REMARK  Name = BDB000221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.554  -0.581  -0.099  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -0.158  -0.410   0.017  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.351   0.893  -0.167  0.00  0.00    -0.013 A 
ATOM      4  C   LIG    1        1.733   1.124  -0.054  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        2.611   0.079   0.233  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.122  -1.212   0.406  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.533   1.933  -0.465  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -1.882   1.646  -0.571  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        0.752  -1.456   0.298  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -2.408   0.418  -0.394  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.163  -1.829   0.083  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.162  -1.668  -0.017  0.00  0.00    +0.144 HD
ATOM     13  H   LIG    1       -1.937  -2.201   0.998  0.00  0.00    +0.144 HD
ENDBRANCH   1  11
TORSDOF 1