REMARK  Name = BDB058079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.793   1.022   2.372  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.850  -0.092   2.023  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.225  -1.154   1.184  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.357  -2.240   0.974  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -1.764  -3.437   0.164  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.059  -2.188   1.504  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.364  -1.099   2.279  0.00  0.00    -0.041 A 
ATOM      8  C   LIG    1       -0.546  -0.065   2.542  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -3.479  -1.194   0.639  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -3.683  -0.519  -0.626  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -4.342  -1.555  -1.551  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -2.431   0.052  -1.317  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.728   0.593  -0.415  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -5.418   0.790   0.574  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.897   1.393  -1.492  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -5.595   2.019  -1.202  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1        1.767  -1.049   2.837  0.00  0.00    +0.094 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.521  -0.080   1.995  0.00  0.00    +0.088 A 
ATOM     19  N   LIG    1        2.951   1.077   2.516  0.00  0.00    -0.082 NA
ATOM     20  O   LIG    1        3.612   1.729   1.491  0.00  0.00    -0.354 OA
ATOM     21  C   LIG    1        3.592   0.964   0.361  0.00  0.00    +0.167 A 
ATOM     22  C   LIG    1        2.916  -0.201   0.639  0.00  0.00    +0.076 A 
BRANCH  21  23
ATOM     23  C   LIG    1        4.250   1.518  -0.818  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.905   2.759  -0.774  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        5.534   3.281  -1.909  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.517   2.570  -3.105  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.872   1.338  -3.168  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        4.244   0.816  -2.033  0.00  0.00    +0.011 A 
ENDBRANCH  21  23
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7