REMARK  Name = BDB064849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.312  -0.959   0.781  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -0.242  -1.834   1.012  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        0.622  -1.619   2.086  0.00  0.00    +0.136 A 
ATOM      4  F   LIG    1        1.629  -2.483   2.281  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1        0.454  -0.524   2.924  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1       -0.637   0.326   2.747  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -1.506   0.113   1.672  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -5.143  -0.626  -2.334  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -3.933  -0.951  -1.687  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -3.071  -1.861  -2.289  0.00  0.00    +0.067 A 
ATOM     11  N   LIG    1       -2.011  -1.953  -1.423  0.00  0.00    -0.338 N 
ATOM     12  H   LIG    1       -1.189  -2.518  -1.571  0.00  0.00    +0.167 HD
ATOM     13  C   LIG    1       -2.239  -1.130  -0.343  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1       -3.332  -2.479  -3.514  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.535  -2.148  -4.144  0.00  0.00    +0.003 A 
ATOM     16  N   LIG    1       -3.397  -0.510  -0.490  0.00  0.00    -0.227 NA
ATOM     17  C   LIG    1       -5.426  -1.239  -3.569  0.00  0.00    +0.015 A 
BRANCH   8  21
ATOM     18  N   LIG    1       -5.813   0.881  -0.547  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -6.456   1.539  -0.132  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -4.953   0.638  -0.059  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -6.114   0.333  -1.759  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -7.150   0.626  -2.345  0.00  0.00    -0.270 OA
ENDBRANCH   8  21
ENDBRANCH   1  13
BRANCH   5  23
ATOM     23  C   LIG    1        1.342  -0.339   4.072  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        2.522   0.347   3.963  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1        3.001   0.380   4.856  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1        0.991  -0.789   5.159  0.00  0.00    -0.270 OA
BRANCH  24  27
ATOM     27  C   LIG    1        3.157   1.078   2.870  0.00  0.00    +0.092 C 
ATOM     28  C   LIG    1        3.546   0.290   1.604  0.00  0.00    +0.130 C 
ATOM     29  N   LIG    1        3.455   1.277   0.529  0.00  0.00    -0.300 N 
ATOM     30  C   LIG    1        3.081   2.589   1.026  0.00  0.00    +0.110 C 
ATOM     31  C   LIG    1        2.377   2.281   2.344  0.00  0.00    +0.043 C 
BRANCH  29  32
ATOM     32  C   LIG    1        4.028   1.079  -0.673  0.00  0.00    +0.190 A 
ATOM     33  O   LIG    1        4.483  -0.173  -0.952  0.00  0.00    -0.435 OA
ATOM     34  C   LIG    1        5.003  -0.145  -2.207  0.00  0.00    +0.172 A 
ATOM     35 BR   LIG    1        5.775  -1.647  -3.080  0.00  0.00    -0.008 Br
ATOM     36  C   LIG    1        4.886   1.115  -2.745  0.00  0.00    +0.059 A 
ATOM     37  C   LIG    1        4.253   1.905  -1.754  0.00  0.00    +0.067 A 
ENDBRANCH  29  32
ENDBRANCH  24  27
ENDBRANCH   5  23
TORSDOF 5