REMARK  Name = BDB017202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.430  -0.181  -0.303  0.00  0.00    +0.074 C 
ATOM      2  C   LIG    1        1.066   0.147  -0.482  0.00  0.00    +0.095 C 
ATOM      3  N   LIG    1        1.862  -0.842   0.257  0.00  0.00    -0.301 NA
ATOM      4  C   LIG    1        1.765  -2.169  -0.378  0.00  0.00    +0.084 C 
ATOM      5  C   LIG    1        0.441  -2.417  -1.113  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -0.722  -1.685  -0.452  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.806   1.022  -2.361  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -1.266   0.632  -1.288  0.00  0.00    +0.167 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.691   0.960  -0.961  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -3.386   1.815  -1.829  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -4.714   2.150  -1.569  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1       -5.557   3.201  -2.638  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -5.365   1.640  -0.448  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -4.683   0.787   0.418  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.351   0.447   0.164  0.00  0.00    +0.011 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1        3.268  -0.452   0.412  0.00  0.00    +0.088 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.403   0.666   1.407  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1        3.100   0.438   2.868  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        4.519   0.654   2.424  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4