REMARK  Name = BDB006869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.427  -1.037   0.252  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.887  -0.592   0.284  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -1.464   0.677   0.484  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -2.860   0.588   0.338  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -3.675   1.700   0.532  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.084   2.916   0.869  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -1.697   3.002   1.013  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1       -0.984   4.511   1.442  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.273  -0.812  -0.065  0.00  0.00    +0.014 C 
ATOM     10  C   LIG    1       -4.481  -1.387   0.679  0.00  0.00    +0.013 C 
ATOM     11  C   LIG    1       -5.707  -1.052  -0.174  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -5.187  -0.587  -1.532  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1       -3.697  -0.904  -1.537  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -0.876   1.884   0.827  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1       -1.972  -1.581   0.218  0.00  0.00    +0.125 C 
ATOM     16  O   LIG    1        0.659  -2.252   0.271  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        1.555   0.006   0.179  0.00  0.00    +0.181 C 
BRANCH  17  24
ATOM     18  C   LIG    1        6.099   1.147  -1.438  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1        5.226   0.049  -0.830  0.00  0.00    +0.065 C 
ATOM     20  N   LIG    1        5.777  -0.348   0.480  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1        6.288   0.421   0.909  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1        4.726  -0.799   1.405  0.00  0.00    +0.096 C 
ATOM     23  C   LIG    1        3.492  -1.425   0.719  0.00  0.00    +0.100 C 
ATOM     24  N   LIG    1        2.840  -0.558  -0.286  0.00  0.00    -0.291 NA
ATOM     25  C   LIG    1        3.745   0.508  -0.755  0.00  0.00    +0.103 C 
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 2