REMARK  Name = BDB061823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.308  -0.456   0.816  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.312  -1.702   0.642  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.406  -1.742  -0.190  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1        2.201  -2.829  -0.537  0.00  0.00    -0.306 N 
ATOM      5  H   LIG    1        2.107  -3.779  -0.218  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1        3.217  -2.393  -1.401  0.00  0.00    +0.328 A 
ATOM      7  N   LIG    1        3.014  -1.012  -1.593  0.00  0.00    -0.288 N 
ATOM      8  O   LIG    1        4.097  -3.091  -1.875  0.00  0.00    -0.247 OA
ATOM      9  C   LIG    1        1.904  -0.610  -0.837  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        1.320   0.626  -0.672  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        0.202   0.700   0.171  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  13
ATOM     12  O   LIG    1       -1.630  -1.227   2.605  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -1.493  -0.393   1.716  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1       -2.404   0.609   1.463  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -2.344   1.128   0.596  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -3.654   0.685   2.183  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.750  -0.052   1.444  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1       -5.414   0.505   0.325  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1       -6.418  -0.244  -0.317  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -6.749  -1.525   0.124  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -6.079  -2.080   1.209  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.085  -1.352   1.861  0.00  0.00    +0.006 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -5.067   1.881  -0.194  0.00  0.00    +0.418 C 
ATOM     24  F   LIG    1       -5.356   2.868   0.699  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -3.736   2.015  -0.476  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -5.717   2.218  -1.343  0.00  0.00    -0.166 F 
ENDBRANCH  18  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  C   LIG    1        3.869  -0.162  -2.379  0.00  0.00    +0.162 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.891   0.571  -1.540  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1        4.822   1.963  -1.378  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1        5.761   2.639  -0.591  0.00  0.00    +0.060 A 
ATOM     31 CL   LIG    1        5.594   4.353  -0.441  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        6.785   1.926   0.041  0.00  0.00    +0.059 A 
ATOM     33 CL   LIG    1        7.978   2.694   1.027  0.00  0.00    -0.082 Cl
ATOM     34  C   LIG    1        6.865   0.541  -0.120  0.00  0.00    +0.022 A 
ATOM     35  C   LIG    1        5.926  -0.131  -0.905  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 6