REMARK  Name = BDB011685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.520   0.067   0.012  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        1.911   0.570   0.017  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        2.941  -0.251   0.518  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.259   0.206   0.541  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        4.558   1.477   0.064  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        3.560   2.301  -0.441  0.00  0.00    +0.042 A 
ATOM      7  F   LIG    1        5.822   1.922   0.083  0.00  0.00    -0.202 F 
ATOM      8  F   LIG    1        5.258  -0.553   1.013  0.00  0.00    -0.202 F 
ATOM      9  C   LIG    1        2.605  -1.609   1.006  0.00  0.00    +0.260 A 
ATOM     10  O   LIG    1        3.437  -2.380   1.465  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        1.284  -1.981   0.912  0.00  0.00    -0.319 N 
ATOM     12  H   LIG    1        1.082  -2.929   1.212  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        2.239   1.849  -0.466  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        0.270  -1.193   0.423  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  14  15
ATOM     15  C   LIG    1       -1.079  -1.792   0.395  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -1.665  -2.267   1.578  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -2.939  -2.840   1.559  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -3.632  -2.943   0.355  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1       -5.358  -3.715   0.329  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1       -3.063  -2.482  -0.830  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -1.789  -1.909  -0.809  0.00  0.00    +0.011 A 
ENDBRANCH  14  15
BRANCH   1  22
ATOM     22  O   LIG    1       -0.445   0.907  -0.509  0.00  0.00    -0.488 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -1.092   1.664   0.529  0.00  0.00    +0.244 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.147   2.572  -0.114  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -1.539   3.561  -1.011  0.00  0.00    -0.327 NA
ATOM     26  H   LIG    1       -2.279   4.075  -1.489  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1       -1.032   3.056  -1.741  0.00  0.00    +0.118 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5