REMARK  Name = BDB003858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.041   0.296   2.020  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.365  -0.186   1.117  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -2.367  -1.085   1.376  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -2.514  -1.445   2.316  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -1.064  -0.671   1.405  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -0.406  -0.900   2.424  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -0.483   0.138   0.241  0.00  0.00    +0.107 C 
ATOM      8  C   LIG    1       -1.233   0.050  -1.097  0.00  0.00    +0.018 C 
ATOM      9  C   LIG    1       -2.554   0.815  -1.072  0.00  0.00    +0.010 C 
ATOM     10  C   LIG    1       -3.654   0.071  -0.341  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.005  -0.167   0.033  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1        1.511  -1.451  -0.253  0.00  0.00    +0.045 A 
ATOM     13 CL   LIG    1        0.493  -2.837  -0.415  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        2.887  -1.656  -0.425  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.784  -0.593  -0.318  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        3.297   0.687  -0.038  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1        1.921   0.903   0.135  0.00  0.00    +0.038 A 
BRANCH  16  18
ATOM     18  N   LIG    1        4.232   1.815   0.070  0.00  0.00    +0.056 N 
ATOM     19  O   LIG    1        3.753   2.944   0.241  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1        5.443   1.570  -0.025  0.00  0.00    -0.126 OA
ENDBRANCH  16  18
ENDBRANCH   7  11
TORSDOF 2