REMARK  Name = BDB061736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.182   0.773  -0.913  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -0.471   0.047   0.087  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.861   0.123   0.257  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.631   0.949  -0.559  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -1.983   1.715  -1.533  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.594   1.635  -1.700  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -4.029   1.092  -0.446  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -4.464   1.709  -1.113  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1       -4.896   0.331   0.327  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1       -6.175   0.868   0.268  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -6.238   1.817  -0.066  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1       -4.580  -0.665   0.963  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -7.359   0.330   0.816  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -7.456  -0.954   1.354  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -8.672  -1.418   1.867  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -9.801  -0.604   1.843  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -9.718   0.676   1.301  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -8.503   1.139   0.788  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  N   LIG    1        1.585   0.777  -1.069  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        1.857   1.194  -1.953  0.00  0.00    +0.154 HD
BRANCH  19  30
ATOM     21  C   LIG    1        6.674   0.501  -0.596  0.00  0.00    +0.158 A 
ATOM     22  C   LIG    1        5.805   1.555  -0.871  0.00  0.00    +0.166 A 
ATOM     23  F   LIG    1        6.284   2.788  -1.091  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1        4.432   1.358  -0.925  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        3.889   0.072  -0.703  0.00  0.00    +0.043 A 
ATOM     26  C   LIG    1        4.754  -0.993  -0.408  0.00  0.00    +0.080 A 
ATOM     27  N   LIG    1        4.314  -2.229  -0.166  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1        2.990  -2.416  -0.209  0.00  0.00    +0.223 A 
ATOM     29  N   LIG    1        2.072  -1.488  -0.483  0.00  0.00    -0.220 NA
ATOM     30  C   LIG    1        2.516  -0.245  -0.739  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        6.127  -0.762  -0.362  0.00  0.00    +0.077 A 
BRANCH  21  32
ATOM     32  O   LIG    1        8.002   0.822  -0.568  0.00  0.00    -0.489 OA
BRANCH  32  34
ATOM     33  C   LIG    1        9.257  -0.469   1.056  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        8.969  -0.214  -0.413  0.00  0.00    +0.226 C 
ENDBRANCH  32  34
ENDBRANCH  21  32
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 6