REMARK  Name = BDB062197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.754   3.899  -1.462  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.911   2.742  -1.127  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.053   1.812  -0.484  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.301   2.188  -0.177  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.559   0.597  -0.273  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.768   0.742  -0.733  0.00  0.00    +0.190 C 
ATOM      7  N   LIG    1       -2.021   1.971  -1.244  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.881   2.300  -1.638  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.336   1.364   0.469  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        2.458  -0.015   0.238  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        3.485  -0.695   0.861  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        3.740  -2.027   0.747  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        4.898  -2.154   1.597  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.317  -0.908   2.190  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.385  -0.059   1.682  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.310   1.294   1.924  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.278   2.009   1.306  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.731  -0.223  -0.725  0.00  0.00    -0.303 N 
ATOM     19  C   LIG    1       -2.497  -1.544  -0.149  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1       -3.886  -2.168  -0.078  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -4.596  -1.547  -1.268  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -4.075  -0.113  -1.266  0.00  0.00    +0.108 C 
ENDBRANCH   6  18
TORSDOF 2