REMARK  Name = BDB051827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.402  -1.637  -1.145  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.623  -1.124  -2.418  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.385  -0.985  -3.292  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.901  -0.734  -2.804  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.971  -0.874  -1.916  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.775  -1.415  -0.636  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.478  -1.804  -0.262  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1       -6.341   1.224   2.268  0.00  0.00    +0.133 C 
ATOM      9  N   LIG    1       -5.995   0.795   0.925  0.00  0.00    -0.292 N 
ATOM     10  C   LIG    1       -4.712   1.101   0.483  0.00  0.00    +0.304 C 
ATOM     11  N   LIG    1       -4.324   0.509  -0.716  0.00  0.00    -0.283 N 
ATOM     12  C   LIG    1       -4.500  -0.940  -0.882  0.00  0.00    +0.128 C 
ATOM     13  C   LIG    1       -3.305  -1.712  -0.294  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1       -2.014  -1.208  -0.783  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1       -0.936  -2.091  -0.725  0.00  0.00    +0.249 C 
ATOM     16  O   LIG    1       -1.031  -3.249  -0.321  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -1.858   0.258  -0.717  0.00  0.00    +0.127 C 
ATOM     18  C   LIG    1       -3.074   0.987  -1.307  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -3.958   1.841   1.114  0.00  0.00    -0.252 OA
ATOM     20  C   LIG    1       -7.109   0.730  -0.011  0.00  0.00    +0.133 C 
ENDBRANCH   1  15
BRANCH   6  21
ATOM     21  C   LIG    1        3.926  -1.590   0.338  0.00  0.00    +0.090 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.492  -0.281   0.838  0.00  0.00    +0.046 A 
ATOM     23  N   LIG    1        5.684   0.312   0.344  0.00  0.00    -0.296 N 
ATOM     24  C   LIG    1        6.108   1.543   0.859  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1        7.261   1.944   0.216  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1        7.590   0.941  -0.707  0.00  0.00    +0.078 A 
ATOM     27 CL   LIG    1        8.950   0.989  -1.725  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        5.380   2.219   1.905  0.00  0.00    +0.273 A 
ATOM     29  O   LIG    1        5.704   3.296   2.394  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        4.257   1.551   2.336  0.00  0.00    -0.326 N 
ATOM     31  H   LIG    1        3.735   2.016   3.071  0.00  0.00    +0.168 HD
ATOM     32  C   LIG    1        6.634  -0.042  -0.604  0.00  0.00    +0.133 A 
ATOM     33 CL   LIG    1        6.600  -1.509  -1.482  0.00  0.00    -0.062 Cl
ATOM     34  C   LIG    1        3.825   0.354   1.827  0.00  0.00    +0.108 A 
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 3