REMARK  Name = BDB002888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.285   1.907   0.268  0.00  0.00    +0.195 A 
ATOM      2  C   LIG    1       -1.012   1.428   0.180  0.00  0.00    +0.103 A 
ATOM      3  C   LIG    1       -1.162   0.045  -0.015  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.008  -0.760  -0.099  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        1.259  -0.197   0.027  0.00  0.00    +0.074 A 
ATOM      6  N   LIG    1        1.404   1.133   0.210  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.515  -0.976  -0.039  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        2.578  -2.337   0.316  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        3.778  -3.056   0.245  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        4.941  -2.422  -0.179  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1        6.560  -3.391  -0.274  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        4.917  -1.077  -0.529  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        3.715  -0.365  -0.456  0.00  0.00    +0.011 A 
ENDBRANCH   5   7
BRANCH   3  14
ATOM     14  C   LIG    1       -2.479  -0.600  -0.136  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1       -2.987  -1.390   0.907  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -4.235  -2.007   0.793  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.990  -1.844  -0.366  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.498  -1.066  -1.412  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -3.251  -0.450  -1.299  0.00  0.00    +0.008 A 
ENDBRANCH   3  14
BRANCH   1  21
ATOM     20  C   LIG    1        0.417   4.005   2.113  0.00  0.00    +0.202 C 
ATOM     21  S   LIG    1        0.669   3.649   0.394  0.00  0.00    +0.012 S 
ATOM     22  O   LIG    1       -0.320   4.371  -0.383  0.00  0.00    -0.168 OA
ATOM     23  O   LIG    1        2.081   3.837   0.112  0.00  0.00    -0.168 OA
ENDBRANCH   1  21
BRANCH   2  24
ATOM     24  C   LIG    1       -2.152   2.275   0.358  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -3.072   2.948   0.576  0.00  0.00    -0.191 NA
ENDBRANCH   2  24
TORSDOF 4