REMARK  Name = BDB046086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.223  -0.059  -0.118  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1       -0.035   0.533  -0.069  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -0.338   1.998  -0.066  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1       -1.551   2.327   0.798  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -2.809   1.931   0.198  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -3.546   2.626   0.158  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -3.294   0.668  -0.021  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -2.433  -0.540   0.050  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -3.073  -1.795   0.112  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.346  -2.982   0.127  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.954  -2.963   0.066  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -0.323  -1.715   0.001  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1       -4.491   0.548  -0.282  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -1.020  -0.505  -0.002  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1        1.013  -1.418  -0.094  0.00  0.00    -0.350 N 
ATOM     16  H   LIG    1        1.744  -2.110  -0.181  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        4.897   0.353   0.329  0.00  0.00    +0.128 C 
ATOM     18  N   LIG    1        3.566  -0.198   0.268  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1        3.334  -0.912   0.942  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        2.527   0.567  -0.228  0.00  0.00    +0.260 C 
ATOM     21  O   LIG    1        2.704   1.688  -0.693  0.00  0.00    -0.269 OA
ENDBRANCH   1  20
TORSDOF 1