REMARK  Name = BDB016947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.662   1.073  -1.379  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.746   1.787  -2.557  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.356   2.207  -3.388  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        2.062   2.024  -2.824  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        2.839   1.510  -1.901  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.987   0.910  -0.986  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.059  -0.195   0.286  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.273  -1.090  -0.439  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.049  -0.674  -0.977  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.602   0.638  -0.795  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.388   1.532  -0.065  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -2.610   1.116   0.469  0.00  0.00    +0.046 A 
BRANCH   7  13
ATOM     13  O   LIG    1       -4.270  -0.468   0.860  0.00  0.00    -0.492 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -6.080  -1.887   1.481  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1       -4.750  -1.807   0.752  0.00  0.00    +0.225 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   6  16
ATOM     16  C   LIG    1        2.488   0.226   0.207  0.00  0.00    +0.092 A 
ATOM     17  N   LIG    1        1.583  -0.325   1.054  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1        2.042  -0.950   2.157  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1        3.381  -1.062   2.468  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        4.303  -0.495   1.590  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        3.856   0.159   0.443  0.00  0.00    +0.045 A 
BRANCH  20  22
ATOM     22  C   LIG    1        5.741  -0.613   1.918  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        6.200  -1.169   2.898  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        6.536  -0.030   1.006  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        7.444  -0.180   1.344  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   6  16
TORSDOF 6