REMARK  Name = BDB022065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.259   1.278   0.209  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.321   1.363   1.423  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.060   0.796   1.109  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        1.688   1.485  -0.024  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.064   1.672  -0.154  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        3.563   2.495  -0.919  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        0.815   2.238  -0.918  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.523   1.539  -1.118  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.984   0.848   0.665  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        4.987   1.491   1.401  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        5.881   0.737   2.163  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        5.778  -0.655   2.173  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1        6.990  -1.676   3.204  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1        4.796  -1.302   1.421  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1        3.901  -0.549   0.657  0.00  0.00    +0.014 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  O   LIG    1       -1.617  -1.023   0.847  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -1.970  -0.079   0.148  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1       -3.007  -0.088  -0.772  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1       -3.183   0.780  -1.263  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.857  -1.165  -1.099  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -4.846  -0.926  -2.064  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -5.727  -1.944  -2.442  0.00  0.00    +0.078 A 
ATOM     23 CL   LIG    1       -6.931  -1.620  -3.630  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -5.625  -3.203  -1.859  0.00  0.00    +0.142 A 
ATOM     25  F   LIG    1       -6.460  -4.192  -2.208  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1       -4.650  -3.454  -0.902  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -3.767  -2.437  -0.523  0.00  0.00    +0.026 A 
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 3