REMARK  Name = BDB006175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.492   0.535  -0.333  0.00  0.00    +0.054 A 
ATOM      2  N   LIG    1        2.377  -0.428  -0.871  0.00  0.00    -0.235 N 
ATOM      3  N   LIG    1        1.706  -1.321  -1.673  0.00  0.00    -0.161 NA
ATOM      4  C   LIG    1        0.430  -1.075  -1.427  0.00  0.00    +0.154 A 
ATOM      5  C   LIG    1       -0.831  -1.617  -1.891  0.00  0.00    +0.272 C 
ATOM      6  N   LIG    1       -1.807  -0.796  -1.268  0.00  0.00    -0.252 N 
ATOM      7  C   LIG    1       -1.210   0.327  -0.503  0.00  0.00    +0.146 C 
ATOM      8  O   LIG    1       -0.970  -2.522  -2.696  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.238   0.029  -0.616  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.215  -0.962  -1.411  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -3.800  -2.220  -1.638  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1       -3.051  -3.332  -1.602  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -5.184  -2.356  -1.786  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1       -5.891  -3.905  -2.046  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -6.014  -1.241  -1.697  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.458   0.009  -1.441  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -4.073   0.146  -1.291  0.00  0.00    +0.026 A 
ENDBRANCH   6  10
BRANCH   7  18
ATOM     18  C   LIG    1       -1.536   0.333   0.976  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1       -1.824   1.554   1.613  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -2.128   1.595   2.976  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.149   0.417   3.718  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -2.521   0.471   5.396  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -1.870  -0.803   3.108  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.565  -0.846   1.745  0.00  0.00    +0.007 A 
ENDBRANCH   7  18
BRANCH   2  25
ATOM     25  C   LIG    1        3.778  -0.619  -0.718  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        4.459  -0.225   0.428  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        5.822  -0.473   0.501  0.00  0.00    +0.113 A 
ATOM     28  N   LIG    1        6.530  -1.086  -0.469  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        5.842  -1.498  -1.553  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        4.482  -1.300  -1.718  0.00  0.00    +0.047 A 
ENDBRANCH   2  25
BRANCH   1  32
ATOM     31  C   LIG    1        2.908   2.664  -0.445  0.00  0.00    +0.014 C 
ATOM     32  C   LIG    1        1.787   1.896   0.251  0.00  0.00    +0.032 C 
ATOM     33  C   LIG    1        1.908   1.915   1.772  0.00  0.00    +0.014 C 
ENDBRANCH   1  32
TORSDOF 4