REMARK  Name = BDB006177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.833   0.433   1.052  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1       -1.075  -0.132   0.004  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.190   0.393   0.191  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.561   0.435  -0.374  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        2.294   1.196   0.671  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1        1.453   1.631   1.728  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        1.702   2.361   2.672  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.157   1.080   1.394  0.00  0.00    +0.154 A 
ATOM      9  N   LIG    1       -1.024   1.030   1.992  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.688   1.476   0.573  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1        4.496   1.662   1.708  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1        3.999   1.456   2.937  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        5.859   1.947   1.585  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1        6.844   2.156   2.983  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1        6.447   2.039   0.326  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        5.672   1.827  -0.810  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        4.308   1.540  -0.687  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1        2.030  -0.996  -0.543  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        2.195  -1.519  -1.839  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        2.629  -2.833  -2.030  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.906  -3.639  -0.929  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        3.440  -5.257  -1.167  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        2.753  -3.143   0.362  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        2.318  -1.829   0.555  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.157   0.810   0.300  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.231   0.455   1.293  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -3.668   0.196   2.605  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -5.027   0.195   2.907  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.954   0.473   1.909  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.522   0.786   0.616  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -4.557   1.903  -1.780  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.665   1.216  -0.909  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -1.483  -1.191  -0.995  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1       -1.571  -0.659  -2.424  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1       -2.690  -2.049  -0.630  0.00  0.00    +0.014 C 
ENDBRANCH   2  33
TORSDOF 5