REMARK  Name = BDB031045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.571  -0.625  -0.496  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        1.561  -0.377   0.391  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        2.493   0.532   0.056  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        2.457   1.224  -1.147  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.440   0.949  -2.057  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.480  -0.000  -1.731  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -3.905  -0.456  -0.112  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -2.561  -0.375  -0.237  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1       -1.749  -1.487   0.017  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -2.257  -2.713   0.437  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -1.303  -3.587   0.669  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -0.139  -2.920   0.394  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -3.666  -2.823   0.560  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -0.375  -1.636  -0.062  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -4.449  -1.760   0.299  0.00  0.00    +0.009 A 
BRANCH   7  17
ATOM     16  C   LIG    1       -5.869   0.341  -1.491  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -4.886   0.706  -0.358  0.00  0.00    -0.011 C 
ATOM     18  C   LIG    1       -5.681   1.015   0.928  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -4.179   2.017  -0.779  0.00  0.00    +0.015 C 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1        3.480   0.754   1.022  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1        3.150   0.141   1.777  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.825   0.303   0.609  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        5.685  -0.034   1.832  0.00  0.00    +0.201 C 
ATOM     24  F   LIG    1        5.557  -1.347   2.149  0.00  0.00    -0.242 F 
ATOM     25  C   LIG    1        7.117   0.290   1.413  0.00  0.00    +0.119 C 
ATOM     26  N   LIG    1        7.048   0.967   0.110  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1        7.693   1.755   0.071  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        5.659   1.414  -0.033  0.00  0.00    +0.106 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 4