REMARK  Name = BDB006173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.828   0.430   1.056  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1       -1.074  -0.128  -0.000  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.196   0.381   0.196  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.567   0.417  -0.367  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        2.308   1.156   0.689  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1        1.470   1.585   1.751  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        1.725   2.299   2.706  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.168   1.051   1.408  0.00  0.00    +0.154 A 
ATOM      9  N   LIG    1       -1.014   1.006   2.004  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.704   1.424   0.596  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1        4.512   1.588   1.734  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1        4.012   1.370   2.960  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        5.878   1.862   1.616  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1        6.864   2.043   3.018  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1        6.469   1.965   0.359  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        5.692   1.775  -0.781  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        4.325   1.499  -0.662  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1        2.023  -1.016  -0.556  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        2.184  -1.522  -1.860  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        2.606  -2.836  -2.068  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        2.872  -3.653  -0.977  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1        3.277  -4.913  -1.180  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        2.725  -3.181   0.320  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        2.302  -1.867   0.532  0.00  0.00    +0.008 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.147   0.841   0.308  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.226   0.462   1.296  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -3.666   0.189   2.604  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -5.026   0.196   2.904  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.949   0.499   1.910  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.513   0.827   0.622  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -4.535   1.969  -1.756  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.651   1.261  -0.895  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -1.492  -1.168  -1.015  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1       -1.573  -0.613  -2.436  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1       -2.709  -2.018  -0.665  0.00  0.00    +0.014 C 
ENDBRANCH   2  33
TORSDOF 5