REMARK  Name = BDB016963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.990  -3.049   1.593  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.739  -2.336   1.492  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.523  -1.136   0.845  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.840  -0.902   1.012  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1       -1.419  -1.927   1.743  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.446  -2.764   2.011  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.569  -0.385   0.163  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.641  -0.389  -1.235  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        2.634   0.342  -1.917  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        3.560   1.072  -1.164  0.00  0.00    +0.053 A 
ATOM     11 CL   LIG    1        4.815   1.999  -1.904  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        3.495   1.077   0.233  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        2.502   0.353   0.894  0.00  0.00    +0.011 A 
BRANCH   9  14
ATOM     14  C   LIG    1        2.671   0.332  -3.420  0.00  0.00    +0.419 C 
ATOM     15  F   LIG    1        3.841  -0.154  -3.919  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        1.697  -0.446  -3.977  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        2.502   1.567  -3.968  0.00  0.00    -0.166 F 
ENDBRANCH   9  14
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  C   LIG    1       -1.616   0.239   0.525  0.00  0.00    +0.092 A 
ATOM     19  N   LIG    1       -0.965   1.200  -0.180  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1       -1.680   2.252  -0.628  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1       -3.034   2.404  -0.410  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -3.692   1.412   0.314  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1       -2.978   0.312   0.790  0.00  0.00    +0.045 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -5.144   1.569   0.551  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1       -5.826   2.501   0.168  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -5.673   0.554   1.254  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -6.622   0.784   1.335  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   4  18
TORSDOF 5