REMARK  Name = BDB016911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.583  -0.027   1.385  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.075  -0.490   0.108  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.440   0.012   0.328  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.583   0.685   1.496  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.845   1.146   1.650  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1       -3.476   0.753   0.550  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1       -2.647   0.025  -0.293  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -0.335   0.698   2.217  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1       -0.157   1.208   3.311  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        4.468   0.724   4.410  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        3.860   0.024   3.222  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1        4.591  -0.922   2.437  0.00  0.00    +0.164 A 
ATOM     13  N   LIG    1        3.954  -1.501   1.357  0.00  0.00    -0.280 N 
ATOM     14  C   LIG    1        4.889  -2.345   0.803  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1        6.008  -2.280   1.500  0.00  0.00    -0.128 NA
ATOM     16  C   LIG    1        2.639  -1.223   0.996  0.00  0.00    +0.118 A 
ATOM     17  C   LIG    1        1.905  -0.342   1.709  0.00  0.00    +0.055 A 
ATOM     18  N   LIG    1        5.819  -1.386   2.525  0.00  0.00    -0.129 NA
ATOM     19  C   LIG    1        2.580   0.286   2.855  0.00  0.00    +0.032 A 
BRANCH  14  20
ATOM     20  C   LIG    1        4.627  -3.175  -0.386  0.00  0.00    +0.408 C 
ATOM     21  F   LIG    1        3.573  -4.014  -0.175  0.00  0.00    -0.201 F 
ATOM     22  F   LIG    1        4.268  -2.407  -1.453  0.00  0.00    -0.201 F 
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   2  23
ATOM     23  C   LIG    1        0.559   0.085  -1.149  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1        0.853   1.455  -1.268  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        1.425   1.963  -2.437  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        1.706   1.109  -3.499  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        2.408   1.734  -4.940  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        1.420  -0.251  -3.403  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        0.847  -0.760  -2.236  0.00  0.00    +0.007 A 
ENDBRANCH   2  23
BRANCH   6  30
ATOM     30  C   LIG    1       -4.979   1.102   0.322  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -5.343   2.281  -0.541  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1       -5.528   2.363   0.944  0.00  0.00    +0.012 C 
ENDBRANCH   6  30
BRANCH   7  33
ATOM     33  C   LIG    1       -2.952  -0.597  -1.573  0.00  0.00    +0.083 C 
ATOM     34  C   LIG    1       -3.062   0.425  -2.702  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1       -4.163  -1.529  -1.533  0.00  0.00    +0.030 C 
ENDBRANCH   7  33
TORSDOF 5