REMARK  Name = BDB062198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.012  -4.306   0.668  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.286  -3.132   0.519  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.621  -1.980   0.282  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.949  -2.128   0.207  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.129  -0.834   0.146  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.367  -1.212   0.291  0.00  0.00    +0.190 C 
ATOM      7  N   LIG    1       -1.507  -2.543   0.516  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.360  -3.058   0.623  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.942  -1.069  -0.037  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        2.786   0.238   0.449  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        3.790   1.153   0.201  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        3.794   2.455   0.596  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        5.060   2.896   0.065  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.788   1.857  -0.623  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.927   0.813  -0.492  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.126  -0.460  -0.973  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.124  -1.408  -0.736  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.459  -0.381   0.222  0.00  0.00    -0.303 N 
ATOM     19  C   LIG    1       -2.265   1.025  -0.161  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1       -3.509   1.571  -0.854  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -4.743   1.496   0.041  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -4.645   0.382   1.078  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -3.816  -0.796   0.577  0.00  0.00    +0.108 C 
ENDBRANCH   6  18
TORSDOF 2