REMARK  Name = BDB003836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.931  -0.315  -0.151  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        3.054   0.327  -1.381  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        1.915   0.949  -1.853  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1        0.720   0.940  -1.216  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1        0.592   0.278  -0.046  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        1.695  -0.354   0.509  0.00  0.00    +0.059 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -0.635   0.296   0.577  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1       -1.795   0.778  -0.177  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.034   0.206   0.553  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -3.548  -1.003  -0.238  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.152  -2.151  -0.043  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -4.397  -0.752  -1.279  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -4.326  -1.573  -1.878  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -5.731  -0.739  -0.983  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -6.470  -1.593  -1.472  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.281   0.391  -0.142  0.00  0.00    +0.096 C 
ATOM     17  C   LIG    1       -5.477   0.751   1.100  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -4.101   1.299   0.736  0.00  0.00    +0.018 C 
ATOM     19  C   LIG    1       -2.466  -0.258   1.910  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -1.025  -0.658   1.601  0.00  0.00    +0.107 C 
ENDBRANCH   5   7
BRANCH   2  21
ATOM     21  C   LIG    1        4.308   0.372  -2.189  0.00  0.00    +0.420 C 
ATOM     22  F   LIG    1        4.072   0.642  -3.507  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        5.175   1.336  -1.778  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        4.999  -0.801  -2.190  0.00  0.00    -0.166 F 
ENDBRANCH   2  21
BRANCH   1  25
ATOM     25  C   LIG    1        4.056  -0.995   0.525  0.00  0.00    +0.340 C 
ATOM     26  O   LIG    1        3.947  -2.055   1.116  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        5.159  -0.219   0.442  0.00  0.00    -0.461 OA
BRANCH  27  29
ATOM     28  C   LIG    1        7.479   0.174   0.847  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1        6.317  -0.770   1.082  0.00  0.00    +0.229 C 
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 5