REMARK  Name = BDB062196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.761   0.665  -0.004  0.00  0.00    +0.187 C 
ATOM      2  N   LIG    1        3.437   0.093  -1.025  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        4.410   0.198  -1.247  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.568  -0.619  -1.784  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.790  -1.261  -2.791  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.278  -0.410  -1.071  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        0.140  -0.977  -1.490  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.489   0.403   0.022  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -1.187  -0.854  -0.864  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -1.626   0.329  -0.250  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -2.902   0.359   0.275  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -3.478   1.420   0.903  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -4.774   0.876   1.221  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -4.953  -0.484   0.774  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -3.744  -0.724   0.200  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -3.360  -1.898  -0.406  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -2.070  -1.957  -0.947  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  19
ATOM     18  C   LIG    1        4.762   1.345   1.291  0.00  0.00    +0.128 C 
ATOM     19  N   LIG    1        3.375   1.453   0.914  0.00  0.00    -0.320 N 
ATOM     20  H   LIG    1        2.748   1.686   1.680  0.00  0.00    +0.148 HD
ENDBRANCH   1  19
TORSDOF 2