REMARK  Name = BDB028274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.800   0.520  -0.005  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.555   0.063   0.662  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.626  -0.215   2.023  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.493  -0.645   2.718  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.280  -0.797   2.043  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.180  -0.526   0.668  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.909  -0.051   2.726  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.015  -0.287   3.924  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.965   0.378   1.960  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.858   0.498   2.428  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.335  -0.092  -0.013  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.929   0.661   0.630  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.099  -0.685  -0.039  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.260  -0.027   0.399  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.457  -0.213  -0.320  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        3.404  -1.047  -1.429  0.00  0.00    +0.139 A 
ATOM     17  N   LIG    1        4.651  -1.096  -1.985  0.00  0.00    -0.345 N 
ATOM     18  H   LIG    1        4.875  -1.639  -2.807  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1        5.510  -0.311  -1.260  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1        2.337  -1.709  -1.907  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        4.804   0.261  -0.209  0.00  0.00    +0.081 A 
ATOM     22  C   LIG    1        1.216  -1.495  -1.174  0.00  0.00    +0.121 A 
BRANCH  21  23
ATOM     23  C   LIG    1        5.320   1.186   0.838  0.00  0.00    +0.419 C 
ATOM     24  F   LIG    1        4.708   2.397   0.785  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        5.114   0.698   2.088  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        6.654   1.412   0.718  0.00  0.00    -0.166 F 
ENDBRANCH  21  23
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -3.750   0.837  -1.503  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.065   1.263  -1.997  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -5.739   0.534  -1.751  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -5.367   2.055  -1.424  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 4