REMARK  Name = BDB042820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.042   3.706  -1.475  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.716   2.708  -0.842  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -1.543   2.719   0.041  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.199   1.548   0.709  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.087   1.497   1.558  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.249   0.343   2.282  0.00  0.00    -0.337 N 
ATOM      7  H   LIG    1        1.231   0.338   2.556  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.181  -0.935   1.666  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1       -1.686  -0.894   1.314  0.00  0.00    +0.094 C 
ATOM     10  C   LIG    1        0.630   2.679   1.774  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        0.282   3.848   1.098  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        1.002   4.960   1.298  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.047   0.358   0.511  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -3.112   0.378  -0.238  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -0.795   3.881   0.224  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -3.414   1.527  -0.905  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -4.241   1.503  -1.493  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -2.178  -2.230   0.750  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -2.597  -3.281   1.588  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -2.601  -3.144   3.312  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.013  -4.506   1.052  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.009  -4.711  -0.325  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.585  -3.693  -1.170  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.169  -2.470  -0.639  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
BRANCH   8  25
ATOM     25  C   LIG    1        0.778  -1.339   0.514  0.00  0.00    +0.183 C 
BRANCH  25  26
ATOM     26  O   LIG    1        0.548  -0.568  -0.667  0.00  0.00    -0.373 OA
BRANCH  26  27
ATOM     27  C   LIG    1        1.577  -0.732  -1.643  0.00  0.00    +0.195 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.717   0.215  -1.365  0.00  0.00    -0.022 A 
ATOM     29  C   LIG    1        2.494   1.600  -1.358  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        3.537   2.485  -1.085  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.815   1.995  -0.824  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.051   0.621  -0.836  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.007  -0.266  -1.106  0.00  0.00    +0.006 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 5