REMARK  Name = BDB051958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.578   3.599  -0.086  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1        1.400   2.159  -0.063  0.00  0.00    -0.232 N 
ATOM      3  C   LIG    1        2.494   1.332   0.169  0.00  0.00    +0.275 A 
ATOM      4  O   LIG    1        3.643   1.733   0.335  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1        2.224  -0.117   0.192  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.917  -0.574   0.055  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        0.670  -1.954   0.012  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        1.726  -2.860   0.141  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.031  -2.397   0.304  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.144   0.449  -0.065  0.00  0.00    +0.099 A 
ATOM     11  C   LIG    1        3.282  -1.026   0.325  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1        0.102   1.721  -0.136  0.00  0.00    -0.168 NA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -1.571   0.048  -0.108  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -2.167  -0.560   1.002  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -3.518  -0.912   0.950  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -4.262  -0.642  -0.201  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -5.925  -1.079  -0.261  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -3.671  -0.016  -1.299  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -2.321   0.338  -1.252  0.00  0.00    +0.011 A 
ENDBRANCH  10  13
TORSDOF 1