REMARK  Name = BDB002572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.723  -2.775  -1.367  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1        0.482  -2.119  -0.908  0.00  0.00    +0.147 A 
ATOM      3  C   LIG    1        0.178  -1.006  -0.151  0.00  0.00    +0.110 A 
ATOM      4  C   LIG    1       -1.248  -1.025  -0.062  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1       -1.745  -2.078  -0.732  0.00  0.00    -0.077 NA
ATOM      6  O   LIG    1       -0.668  -2.746  -1.263  0.00  0.00    -0.359 OA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.103  -0.081   0.478  0.00  0.00    +0.284 C 
ATOM      8  N   LIG    1        2.216   0.484  -0.193  0.00  0.00    -0.202 N 
ATOM      9  N   LIG    1        2.434   0.260  -1.524  0.00  0.00    -0.171 NA
ATOM     10  C   LIG    1        3.532   0.968  -1.806  0.00  0.00    +0.150 A 
ATOM     11  C   LIG    1        4.021   1.643  -0.686  0.00  0.00    +0.056 A 
ATOM     12 BR   LIG    1        5.526   2.741  -0.644  0.00  0.00    -0.047 Br
ATOM     13  C   LIG    1        3.171   1.332   0.338  0.00  0.00    +0.133 A 
ATOM     14  O   LIG    1        0.943   0.276   1.644  0.00  0.00    -0.265 OA
ENDBRANCH   3   7
BRANCH   4  15
ATOM     15  C   LIG    1       -2.146  -0.090   0.612  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -1.970   1.296   0.493  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -2.838   2.178   1.142  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.892   1.684   1.909  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.083   0.309   2.025  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.217  -0.574   1.377  0.00  0.00    +0.010 A 
ENDBRANCH   4  15
TORSDOF 2