REMARK  Name = BDB028283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.464   0.411  -0.579  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.539   0.627   0.297  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.577  -0.310   0.390  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.545  -1.450  -0.408  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.652  -2.417  -0.324  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.664  -2.104   0.550  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.438  -2.757   0.618  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.720  -1.007   1.353  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.661  -3.438  -1.002  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.481  -1.673  -1.288  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.739  -0.152   1.301  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.444  -0.743  -1.373  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -3.977   2.678  -0.623  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -2.564   2.377  -0.693  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -1.963   1.139  -0.590  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1       -0.599   1.396  -0.666  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -0.503   2.797  -0.824  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1       -1.694   3.394  -0.848  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.700  -0.108  -0.389  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -3.542  -0.605  -1.389  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1       -4.226  -1.798  -1.183  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -5.032  -2.268  -2.144  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.088  -2.511   0.002  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -3.247  -2.026   1.001  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -2.554  -0.828   0.805  0.00  0.00    +0.010 A 
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  26
ATOM     26  C   LIG    1        3.823   1.059   2.225  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.234   2.231   1.449  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1        5.146   2.032   1.032  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1        4.394   3.009   2.088  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4