REMARK  Name = BDB017663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.287  -1.767   2.760  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -3.930  -1.187   1.739  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -4.452   0.158   1.376  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -5.447   0.776   2.322  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -5.668   2.268   2.052  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -5.789   2.534   0.556  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -4.612   2.007  -0.127  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.651   2.139  -1.134  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.066   0.779   0.243  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.052   0.138  -0.629  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.582  -1.139  -0.290  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.638  -1.803  -1.080  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.110  -1.190  -2.223  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.568   0.091  -2.561  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.519   0.749  -1.772  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.046  -1.762   0.872  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.701  -2.673   1.139  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1       -0.074  -1.890  -3.080  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.329  -1.717  -2.702  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        1.756  -2.513  -1.539  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        3.046  -1.986  -0.869  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1        2.819  -0.621  -0.370  0.00  0.00    -0.313 N 
ATOM     23  C   LIG    1        2.005   0.259  -1.226  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        1.814  -0.330  -2.647  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        3.824  -0.073   0.414  0.00  0.00    +0.121 A 
ATOM     26  N   LIG    1        4.973  -0.765   0.582  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        5.948  -0.242   1.362  0.00  0.00    +0.125 A 
ATOM     28  C   LIG    1        5.847   0.967   2.026  0.00  0.00    +0.073 A 
ATOM     29  C   LIG    1        4.661   1.677   1.863  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        3.647   1.151   1.061  0.00  0.00    +0.044 A 
BRANCH  28  31
ATOM     31  C   LIG    1        6.988   1.472   2.850  0.00  0.00    +0.419 C 
ATOM     32  F   LIG    1        6.606   2.369   3.803  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.646   0.483   3.515  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.929   2.107   2.098  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 4