REMARK  Name = BDB016413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.355   0.160  -0.018  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1        2.508  -0.916  -0.348  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        1.114  -0.736  -0.361  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        0.544   0.508  -0.066  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        1.404   1.557   0.287  0.00  0.00    +0.145 A 
ATOM      6  F   LIG    1        0.883   2.751   0.610  0.00  0.00    -0.204 F 
ATOM      7  C   LIG    1        2.787   1.400   0.306  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        5.477  -0.045   1.163  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        4.826   0.026  -0.012  0.00  0.00    +0.014 C 
BRANCH   8  11
ATOM     10  C   LIG    1        7.328  -0.531   2.760  0.00  0.00    +0.125 C 
ATOM     11  N   LIG    1        6.817  -0.192   1.445  0.00  0.00    -0.352 N 
ATOM     12  H   LIG    1        7.397  -0.526   0.680  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   9  13
ATOM     13  C   LIG    1        5.560  -0.033  -1.303  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        4.975   0.024  -2.454  0.00  0.00    -0.307 NA
ATOM     15  H   LIG    1        5.677  -0.037  -3.201  0.00  0.00    +0.186 HD
ENDBRANCH   9  13
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  C   LIG    1        3.033  -2.219  -0.648  0.00  0.00    +0.100 C 
ATOM     17  N   LIG    1        3.439  -3.286  -0.861  0.00  0.00    -0.191 NA
ENDBRANCH   2  16
BRANCH   4  18
ATOM     18  N   LIG    1       -0.851   0.709  -0.045  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.099   1.669   0.211  0.00  0.00    +0.152 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.863   0.214  -0.925  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1       -3.224   0.290  -0.470  0.00  0.00    +0.070 A 
ATOM     22  N   LIG    1       -3.386   0.832   0.818  0.00  0.00    -0.338 N 
ATOM     23  H   LIG    1       -2.549   0.613   1.364  0.00  0.00    +0.146 HD
ATOM     24  C   LIG    1       -4.601   0.666   1.598  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1       -5.769   1.347   0.927  0.00  0.00    +0.118 C 
ATOM     26  C   LIG    1       -6.388   0.534  -0.163  0.00  0.00    +0.219 C 
ATOM     27  N   LIG    1       -5.637  -0.026  -1.140  0.00  0.00    -0.284 N 
ATOM     28  H   LIG    1       -6.230  -0.451  -1.843  0.00  0.00    +0.155 HD
ATOM     29  O   LIG    1       -7.615   0.409  -0.228  0.00  0.00    -0.275 OA
ATOM     30  C   LIG    1       -4.828  -0.782   2.025  0.00  0.00    +0.028 C 
ATOM     31  C   LIG    1       -4.248  -0.094  -1.359  0.00  0.00    +0.056 A 
ATOM     32  C   LIG    1       -3.898  -0.636  -2.612  0.00  0.00    +0.025 A 
ATOM     33  C   LIG    1       -2.572  -0.746  -3.022  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -1.556  -0.308  -2.185  0.00  0.00    +0.025 A 
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 6