REMARK  Name = BDB051839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.732  -0.723   0.805  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.492  -1.920   0.140  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.465  -2.539  -0.544  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.231  -2.503   0.182  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.800  -1.887   0.898  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.580  -0.675   1.574  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.710  -0.116   1.544  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -3.607   0.083   1.890  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -3.067  -0.102   0.802  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1       -3.635   0.278  -0.406  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1       -2.947   0.306  -1.702  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1       -3.506   1.420  -2.594  0.00  0.00    +0.179 C 
ATOM     13  O   LIG    1       -4.915   1.306  -2.841  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1       -5.646   0.677  -1.778  0.00  0.00    +0.179 C 
ATOM     15  C   LIG    1       -4.989   0.830  -0.403  0.00  0.00    +0.136 C 
ENDBRANCH   1   9
BRANCH   6  16
ATOM     16  C   LIG    1        1.657   0.013   2.393  0.00  0.00    +0.090 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.074  -0.161   1.896  0.00  0.00    +0.046 A 
ATOM     18  N   LIG    1        3.579   0.493   0.743  0.00  0.00    -0.296 N 
ATOM     19  C   LIG    1        4.888   0.243   0.321  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        5.144   0.948  -0.838  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.986   1.683  -1.139  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1        3.834   2.723  -2.474  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1        5.763  -0.640   1.054  0.00  0.00    +0.273 A 
ATOM     24  O   LIG    1        6.919  -0.896   0.737  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1        5.193  -1.198   2.177  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        5.799  -1.818   2.703  0.00  0.00    +0.168 HD
ATOM     27  C   LIG    1        3.060   1.409  -0.160  0.00  0.00    +0.133 A 
ATOM     28 CL   LIG    1        1.502   2.095  -0.013  0.00  0.00    -0.062 Cl
ATOM     29  C   LIG    1        3.902  -0.976   2.584  0.00  0.00    +0.108 A 
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 3