REMARK  Name = BDB016959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.512  -2.611   1.385  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.161  -2.157   1.163  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.773  -0.931   0.664  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.618  -0.992   0.654  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        1.050  -2.220   1.125  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.039  -2.890   1.416  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.706   0.125   0.278  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -2.155   0.281  -1.048  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -3.042   1.335  -1.344  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -3.470   2.208  -0.345  0.00  0.00    +0.042 A 
ATOM     11 CL   LIG    1       -4.554   3.485  -0.733  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -3.026   2.052   0.963  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -2.146   1.015   1.273  0.00  0.00    +0.012 A 
BRANCH   8  14
ATOM     14  C   LIG    1       -1.711  -0.649  -2.151  0.00  0.00    +0.418 C 
ATOM     15  F   LIG    1       -2.320  -0.382  -3.345  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -0.378  -0.607  -2.412  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -2.013  -1.954  -1.889  0.00  0.00    -0.166 F 
ENDBRANCH   8  14
ENDBRANCH   3   7
BRANCH   4  18
ATOM     18  C   LIG    1        1.547   0.051   0.218  0.00  0.00    +0.092 A 
ATOM     19  N   LIG    1        1.027   1.255  -0.134  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        1.880   2.217  -0.541  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        3.247   2.044  -0.615  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        3.768   0.804  -0.248  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1        2.910  -0.210   0.176  0.00  0.00    +0.045 A 
BRANCH  22  24
ATOM     24  C   LIG    1        5.234   0.614  -0.326  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        6.038   1.455  -0.682  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        5.622  -0.616   0.047  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        6.597  -0.604  -0.054  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   4  18
TORSDOF 5