REMARK  Name = BDB047906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.101  -1.558  -1.031  0.00  0.00    +0.224 A 
ATOM      2  C   LIG    1        2.072  -0.717  -0.489  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1        1.559   0.362   0.238  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        2.482   1.243   0.821  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1        3.865   1.082   0.689  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        4.362   0.016  -0.050  0.00  0.00    +0.004 A 
ATOM      7  N   LIG    1        0.234   0.554   0.373  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -0.610  -0.310  -0.219  0.00  0.00    +0.164 A 
ATOM      9  C   LIG    1        3.474  -0.880  -0.640  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -0.219  -1.378  -0.926  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.060  -0.070  -0.069  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -2.552   1.021   0.675  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -3.925   1.251   0.819  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.841   0.393   0.219  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.387  -0.693  -0.523  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.013  -0.919  -0.664  0.00  0.00    +0.011 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  O   LIG    1        1.437  -2.685  -1.731  0.00  0.00    -0.492 OA
ATOM     18  H   LIG    1        2.203  -3.075  -1.286  0.00  0.00    +0.294 HD
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  O   LIG    1        2.008   2.310   1.550  0.00  0.00    -0.505 OA
ATOM     20  H   LIG    1        2.752   2.844   1.868  0.00  0.00    +0.292 HD
ENDBRANCH   4  19
TORSDOF 3