REMARK  Name = BDB045120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.748   0.251   0.706  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.144   0.546  -0.529  0.00  0.00    +0.165 A 
ATOM      3  C   LIG    1        0.895  -0.004  -0.879  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        0.310   0.256  -2.254  0.00  0.00    +0.058 C 
ATOM      5  C   LIG    1       -0.673  -0.846  -2.640  0.00  0.00    +0.116 C 
ATOM      6  N   LIG    1       -1.661  -1.005  -1.593  0.00  0.00    -0.261 N 
ATOM      7  C   LIG    1       -1.211  -1.331  -0.252  0.00  0.00    +0.189 C 
ATOM      8  C   LIG    1       -2.332  -0.812   0.610  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.253  -0.134  -0.185  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -4.394   0.468   0.316  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -4.626   0.359   1.686  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.728  -0.345   2.506  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.578  -0.940   1.970  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.788  -0.192  -1.570  0.00  0.00    +0.250 C 
ATOM     15  O   LIG    1       -3.297   0.410  -2.495  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        0.177  -0.779   0.063  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        0.797  -1.068   1.290  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        2.061  -0.561   1.609  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1        4.676   0.375   2.109  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        3.994   0.774   0.928  0.00  0.00    -0.491 OA
ENDBRANCH   1  20
BRANCH   2  21
ATOM     21  O   LIG    1        2.770   1.314  -1.484  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1        2.996   2.651  -1.038  0.00  0.00    +0.277 C 
ENDBRANCH   2  21
BRANCH   7  23
ATOM     23  O   LIG    1       -1.188  -2.740  -0.182  0.00  0.00    -0.364 OA
ATOM     24  H   LIG    1       -1.592  -3.005  -1.025  0.00  0.00    +0.213 HD
ENDBRANCH   7  23
TORSDOF 3