REMARK  Name = BDB065025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.323  -1.124   0.676  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1        0.005  -0.694   0.457  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        1.114  -1.561   0.505  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        0.888  -2.908   0.792  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.407  -3.373   1.012  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.489  -2.495   0.952  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.410  -1.059   0.261  0.00  0.00    -0.180 N 
ATOM      8  C   LIG    1        3.657  -1.730   0.281  0.00  0.00    +0.356 A 
ATOM      9  O   LIG    1        3.909  -2.903   0.516  0.00  0.00    -0.244 OA
ATOM     10  N   LIG    1        4.574  -0.747  -0.036  0.00  0.00    -0.250 N 
ATOM     11  C   LIG    1        3.869   0.401  -0.224  0.00  0.00    +0.174 A 
ATOM     12  C   LIG    1        4.631   1.614  -0.582  0.00  0.00    +0.099 A 
ATOM     13  C   LIG    1        5.971   1.496  -0.692  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        6.647   0.231  -0.471  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        5.932  -0.857  -0.150  0.00  0.00    +0.098 A 
ATOM     16  N   LIG    1        2.589   0.278  -0.064  0.00  0.00    -0.143 NA
BRANCH  12  17
ATOM     17  C   LIG    1        3.834   2.846  -0.788  0.00  0.00    +0.421 C 
ATOM     18  F   LIG    1        2.927   2.715  -1.790  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        3.157   3.220   0.326  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.621   3.904  -1.128  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.588  -0.132   0.604  0.00  0.00    +0.056 C 
ATOM     22  C   LIG    1       -2.365   1.401   0.834  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -3.566   1.436   1.801  0.00  0.00    -0.012 C 
ATOM     24  C   LIG    1       -4.854   2.037   1.264  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -3.493  -0.101   1.887  0.00  0.00    +0.022 C 
BRANCH  21  28
ATOM     26  C   LIG    1       -1.702   0.145  -2.496  0.00  0.00    +0.151 C 
ATOM     27  N   LIG    1       -2.983  -0.295  -2.020  0.00  0.00    -0.320 N 
ATOM     28  C   LIG    1       -3.407  -0.434  -0.726  0.00  0.00    +0.144 A 
ATOM     29  N   LIG    1       -4.638  -0.905  -0.734  0.00  0.00    -0.134 NA
ATOM     30  N   LIG    1       -5.031  -1.055  -2.042  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1       -4.026  -0.690  -2.801  0.00  0.00    +0.224 A 
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 4