REMARK  Name = BDB052830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.149  -3.684  -2.154  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -2.462  -2.731  -1.179  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.554  -1.673  -0.931  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -0.323  -1.619  -1.589  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        0.422  -0.541  -1.033  0.00  0.00    +0.106 A 
ATOM      6  C   LIG    1       -0.399   0.106  -0.117  0.00  0.00    +0.219 A 
ATOM      7  C   LIG    1       -0.027  -2.586  -2.572  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1       -1.603  -0.594  -0.043  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1       -0.947  -3.599  -2.850  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.777  -0.157  -1.405  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.731  -0.129  -0.394  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.571  -0.774   0.912  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.921  -1.151   1.549  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.882  -0.043   1.664  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.735   0.454   2.542  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.765   0.922   0.554  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        4.063   0.386  -0.704  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.049   0.115  -2.572  0.00  0.00    -0.270 OA
ENDBRANCH   5  10
BRANCH   8  19
ATOM     19  C   LIG    1       -2.718  -0.234   0.780  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -4.025  -0.345   0.287  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -5.111   0.015   1.088  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.899   0.490   2.381  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.602   0.613   2.874  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.511   0.258   2.076  0.00  0.00    +0.026 A 
ENDBRANCH   8  19
BRANCH   1  26
ATOM     25  C   LIG    1       -4.188  -4.875  -1.854  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -2.933  -4.749  -2.510  0.00  0.00    -0.495 OA
ENDBRANCH   1  26
BRANCH   6  27
ATOM     27  O   LIG    1       -0.220   1.220   0.607  0.00  0.00    -0.438 OA
BRANCH  27  28
ATOM     28  C   LIG    1        0.337   2.364   0.077  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1        1.065   3.195   0.949  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1        1.269   2.831   2.393  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1        1.649   4.368   0.446  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        1.471   4.729  -0.889  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        0.709   3.920  -1.721  0.00  0.00    +0.127 A 
ATOM     34  F   LIG    1        0.520   4.285  -2.996  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        0.135   2.746  -1.252  0.00  0.00    +0.085 A 
ENDBRANCH  27  28
ENDBRANCH   6  27
TORSDOF 5