REMARK  Name = BDB006708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.552  -1.344  -0.862  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1        2.973  -0.085  -0.910  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1        3.736   1.171  -1.096  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1        1.632  -0.326  -0.742  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        0.308   0.329  -0.657  0.00  0.00    +0.149 C 
ATOM      6  N   LIG    1       -0.615  -0.847  -0.539  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1        0.106  -2.082  -0.502  0.00  0.00    +0.272 C 
ATOM      8  O   LIG    1       -0.316  -3.222  -0.391  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        1.495  -1.703  -0.642  0.00  0.00    +0.153 A 
ATOM     10  N   LIG    1        2.653  -2.352  -0.703  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.007  -0.725  -0.503  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.840  -1.762  -0.286  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.219  -1.625  -0.234  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.017  -2.815   0.021  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.858  -0.401  -0.392  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.074  -0.237  -0.331  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -3.960   0.764  -0.660  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.623   2.088  -0.872  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.629   0.578  -0.710  0.00  0.00    +0.033 A 
ENDBRANCH   6  11
BRANCH   5  20
ATOM     20  C   LIG    1        0.366   1.208   0.573  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        0.482   2.594   0.410  0.00  0.00    +0.130 A 
ATOM     22  F   LIG    1        0.528   3.111  -0.826  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        0.546   3.461   1.496  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1        0.493   2.939   2.783  0.00  0.00    +0.044 A 
ATOM     25 CL   LIG    1        0.573   3.996   4.137  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        0.377   1.564   2.983  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        0.314   0.701   1.885  0.00  0.00    +0.010 A 
ENDBRANCH   5  20
BRANCH   1  29
ATOM     28  C   LIG    1        5.630  -1.740   0.401  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1        4.962  -1.678  -0.961  0.00  0.00    +0.140 C 
ENDBRANCH   1  29
TORSDOF 3