REMARK  Name = BDB006214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.089  -0.068   0.577  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1       -1.072  -0.277  -0.379  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.065   0.223   0.229  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.516   0.463   0.034  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        1.915   1.024   1.358  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1        0.831   1.053   2.279  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        0.802   1.423   3.441  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -0.296   0.552   1.523  0.00  0.00    +0.154 A 
ATOM      9  N   LIG    1       -1.565   0.290   1.798  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.235   1.504   1.620  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        3.623   1.941   2.896  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1        4.919   2.404   3.132  0.00  0.00    +0.160 A 
ATOM     13  F   LIG    1        5.256   2.809   4.364  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1        5.852   2.444   2.109  0.00  0.00    +0.159 A 
ATOM     15  F   LIG    1        7.095   2.889   2.338  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1        5.500   2.022   0.837  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        4.201   1.557   0.596  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1        2.141  -0.880  -0.297  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1        2.576  -1.132  -1.612  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        3.158  -2.356  -1.952  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.312  -3.343  -0.982  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        4.027  -4.849  -1.403  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        2.891  -3.116   0.325  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        2.309  -1.893   0.666  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1       -4.211   0.414  -0.579  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.499  -0.151   0.481  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1       -4.204  -0.745   1.541  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -5.594  -0.862   1.484  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.291  -0.368   0.383  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.601   0.274  -0.645  0.00  0.00    +0.048 A 
BRANCH  25  32
ATOM     31  C   LIG    1       -3.591   2.530  -1.209  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.600   1.144  -1.560  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1       -1.150  -1.027  -1.690  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1       -0.991  -0.115  -2.906  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1       -2.308  -2.005  -1.855  0.00  0.00    +0.014 C 
ENDBRANCH   2  33
TORSDOF 5