REMARK  Name = BDB064217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.546   1.915  -0.782  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.285   1.626  -2.118  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.967   1.645  -2.598  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.324   1.304  -2.984  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.640   1.283  -2.514  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.929   1.591  -1.173  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.869   1.927  -0.317  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.196   0.132   0.321  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        4.098   1.313   1.065  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        5.048   1.784   1.693  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        2.712   1.977   1.178  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        1.669   1.513   0.267  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1        0.531   2.303   0.149  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1        0.359   3.327   0.808  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.737   0.095  -0.056  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.121  -0.238  -0.600  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.505  -0.516   0.113  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        6.465   0.373  -0.681  0.00  0.00    +0.028 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.271  -1.994   2.179  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        6.158  -1.019   1.416  0.00  0.00    +0.019 C 
ENDBRANCH  17  20
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  C   LIG    1       -4.361   1.591  -0.670  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.984   0.266  -0.706  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -4.743  -0.700   0.321  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -5.297  -1.981   0.206  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -5.078  -2.967   1.179  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -4.301  -2.679   2.295  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.750  -1.409   2.435  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.132  -2.299  -0.961  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -6.604  -3.416  -1.138  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -6.346  -1.275  -1.839  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -6.907  -1.484  -2.650  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -3.970  -0.428   1.459  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -5.788  -0.030  -1.798  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -6.010   0.752  -2.722  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5