REMARK  Name = BDB028168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519  -0.527  -0.449  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.514   0.383  -0.181  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.751   0.262  -0.826  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.953  -0.777  -1.731  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.265  -0.919  -2.382  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.218   0.005  -2.030  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.131  -0.078  -2.467  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.050   1.041  -1.164  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.484  -1.817  -3.187  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.926  -1.684  -2.014  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.889   1.187  -0.592  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.309  -1.554  -1.377  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.807  -2.586   1.483  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        2.369  -1.321   1.063  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        1.805  -0.389   0.225  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1        2.701   0.662   0.208  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        3.791   0.267   1.027  0.00  0.00    +0.166 A 
ATOM     18  N   LIG    1        3.576  -0.960   1.539  0.00  0.00    -0.167 NA
BRANCH  17  19
ATOM     19  C   LIG    1        5.035   1.067   1.313  0.00  0.00    +0.436 C 
ATOM     20  F   LIG    1        6.163   0.456   0.865  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        4.997   2.288   0.708  0.00  0.00    -0.164 F 
ATOM     22  F   LIG    1        5.209   1.306   2.640  0.00  0.00    -0.164 F 
ENDBRANCH  17  19
ENDBRANCH   1  15
BRANCH  11  23
ATOM     23  C   LIG    1       -2.727   2.367   0.361  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.819   1.885   1.741  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -2.816   2.688   2.370  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -3.736   1.450   1.865  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 4