REMARK  Name = BDB051831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.936   1.309   2.040  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.407   2.539   2.417  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.856   2.644   2.856  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.185   3.689   2.345  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.510   3.606   1.910  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.070   2.373   1.531  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.272   1.220   1.624  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        3.930  -1.046  -0.903  0.00  0.00    +0.221 C 
ATOM      9  N   LIG    1        3.652  -0.440   0.317  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        3.028   0.889   0.273  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        1.501   0.767   0.388  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        1.106  -0.025   1.572  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -0.152   0.066   2.166  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1       -0.664  -0.856   2.801  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.826  -1.297   1.738  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.346  -1.129   1.574  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1        3.654  -0.449  -1.951  0.00  0.00    -0.275 OA
BRANCH   8  19
ATOM     18  C   LIG    1        4.990  -2.698  -2.459  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1        4.592  -2.449  -0.980  0.00  0.00    +0.039 C 
ATOM     20  C   LIG    1        5.890  -2.509  -0.161  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1        3.615  -3.569  -0.598  0.00  0.00    +0.020 C 
ENDBRANCH   8  19
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  C   LIG    1       -4.532   2.314   1.127  0.00  0.00    +0.090 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.893   1.249   0.115  0.00  0.00    +0.046 A 
ATOM     24  N   LIG    1       -4.587   1.352  -1.266  0.00  0.00    -0.296 N 
ATOM     25  C   LIG    1       -4.922   0.306  -2.130  0.00  0.00    +0.114 A 
ATOM     26  C   LIG    1       -4.499   0.608  -3.408  0.00  0.00    +0.054 A 
ATOM     27  C   LIG    1       -3.909   1.881  -3.358  0.00  0.00    +0.078 A 
ATOM     28 CL   LIG    1       -3.257   2.687  -4.704  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -5.605  -0.875  -1.660  0.00  0.00    +0.273 A 
ATOM     30  O   LIG    1       -5.927  -1.821  -2.370  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -5.886  -0.867  -0.312  0.00  0.00    -0.326 N 
ATOM     32  H   LIG    1       -6.362  -1.693   0.033  0.00  0.00    +0.168 HD
ATOM     33  C   LIG    1       -3.989   2.320  -2.058  0.00  0.00    +0.133 A 
ATOM     34 CL   LIG    1       -3.475   3.836  -1.460  0.00  0.00    -0.062 Cl
ATOM     35  C   LIG    1       -5.544   0.147   0.546  0.00  0.00    +0.108 A 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4