REMARK  Name = BDB020237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.468  -1.687  -1.781  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.809  -0.898  -0.621  0.00  0.00    -0.330 N 
ATOM      3  C   LIG    1        2.086  -0.778  -0.117  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        1.943   0.065   0.979  0.00  0.00    +0.089 A 
ATOM      5  C   LIG    1        3.070   0.405   1.742  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        4.316  -0.117   1.375  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        4.437  -0.959   0.268  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1        0.637   0.447   1.135  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1        3.323  -1.309  -0.504  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -0.038  -0.131   0.157  0.00  0.00    +0.122 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -1.520   0.008  -0.059  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -1.785   0.917  -1.257  0.00  0.00    +0.230 C 
ATOM     13  O   LIG    1       -1.167   0.839  -2.319  0.00  0.00    -0.275 OA
ATOM     14  N   LIG    1       -2.853   1.778  -1.156  0.00  0.00    -0.256 N 
ATOM     15  H   LIG    1       -3.037   2.339  -1.977  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1       -3.882   1.712  -0.252  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -4.933   2.316  -0.443  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -3.687   0.782   0.919  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1       -2.209   0.563   1.194  0.00  0.00    +0.030 C 
ENDBRANCH  10  11
TORSDOF 1