REMARK  Name = BDB028242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.021   0.992  -0.152  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.055  -0.137  -0.110  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.527  -1.359   0.365  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.681  -2.473   0.433  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.352  -2.362   0.026  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.137  -1.139  -0.445  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.931  -1.474   0.790  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.382  -2.530   1.220  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.691  -0.338   0.672  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.661  -0.391   0.969  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.720  -0.029  -0.521  0.00  0.00    +0.020 A 
ATOM     12  N   LIG    1       -4.262   0.870   0.220  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.524  -1.023  -0.868  0.00  0.00    +0.073 A 
ATOM     14  N   LIG    1        2.520  -0.356  -0.174  0.00  0.00    -0.299 N 
ATOM     15  C   LIG    1        3.686  -0.475  -0.932  0.00  0.00    +0.141 A 
ATOM     16  C   LIG    1        4.862   0.148  -0.429  0.00  0.00    +0.085 A 
ATOM     17  C   LIG    1        4.811   0.808   0.740  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1        3.591   0.906   1.518  0.00  0.00    +0.056 A 
ATOM     19  F   LIG    1        5.915   1.404   1.232  0.00  0.00    -0.205 F 
ATOM     20  N   LIG    1        3.482  -1.179  -2.025  0.00  0.00    -0.235 NA
ATOM     21  C   LIG    1        2.473   0.325   1.048  0.00  0.00    +0.096 A 
ATOM     22  C   LIG    1        2.158  -1.530  -1.987  0.00  0.00    +0.139 A 
ENDBRANCH   6  13
BRANCH   1  23
ATOM     23  C   LIG    1       -2.570   2.365  -0.652  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -1.841   3.069   0.405  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -1.689   4.035   0.119  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -0.922   2.661   0.551  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 3