REMARK  Name = BDB062455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.376  -0.179  -0.237  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        2.094   0.085   0.281  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        1.016  -0.785   0.042  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        1.238  -1.925  -0.740  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        2.498  -2.182  -1.277  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        3.563  -1.312  -1.033  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.353  -0.472   0.626  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -1.371  -0.153  -0.484  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1       -2.800  -0.056   0.076  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -3.222  -1.370   0.764  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1       -2.061  -2.321   1.056  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -0.845  -1.572   1.590  0.00  0.00    +0.008 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -3.796   0.307  -1.034  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.097   0.659  -0.659  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1       -5.419   1.238   0.647  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -6.878   1.018   1.036  0.00  0.00    +0.019 C 
ATOM     17  C   LIG    1       -7.824   1.482  -0.064  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1       -7.471   0.801  -1.380  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -6.008   1.024  -1.746  0.00  0.00    +0.108 C 
ATOM     20  O   LIG    1       -3.463   0.239  -2.219  0.00  0.00    -0.275 OA
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   1  23
ATOM     21  C   LIG    1        6.371   1.859   0.069  0.00  0.00    +0.100 A 
ATOM     22  C   LIG    1        5.807   0.610  -0.139  0.00  0.00    +0.062 A 
ATOM     23  N   LIG    1        4.435   0.739   0.033  0.00  0.00    -0.236 N 
ATOM     24  N   LIG    1        4.139   1.971   0.541  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1        5.281   2.648   0.478  0.00  0.00    +0.150 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.634  -0.671  -0.470  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1        7.749  -1.075   0.467  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1        6.499  -1.894   0.404  0.00  0.00    +0.010 C 
ENDBRANCH  22  26
BRANCH  21  30
ATOM     29  O   LIG    1        8.525   1.701  -0.890  0.00  0.00    -0.245 OA
ATOM     30  C   LIG    1        7.760   2.242  -0.105  0.00  0.00    +0.340 C 
BRANCH  30  31
ATOM     31  O   LIG    1        8.169   3.270   0.683  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        7.517   3.527   1.360  0.00  0.00    +0.295 HD
ENDBRANCH  30  31
ENDBRANCH  21  30
ENDBRANCH   1  23
TORSDOF 6