REMARK  Name = BDB064944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.865   0.369  -0.845  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        0.343  -0.109  -0.289  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.599   0.245  -0.805  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        1.672   1.126  -1.887  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        0.506   1.621  -2.461  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.736   1.242  -1.948  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.874  -0.257  -0.212  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        2.925  -1.660   0.426  0.00  0.00    +0.275 A 
ATOM      9  O   LIG    1        1.967  -2.414   0.462  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1        4.152  -1.995   0.946  0.00  0.00    -0.325 N 
ATOM     11  H   LIG    1        4.230  -2.913   1.368  0.00  0.00    +0.168 HD
ATOM     12  C   LIG    1        5.227  -1.156   0.873  0.00  0.00    +0.118 A 
ATOM     13  C   LIG    1        5.123   0.052   0.290  0.00  0.00    +0.160 A 
ATOM     14  N   LIG    1        3.933   0.510  -0.261  0.00  0.00    -0.236 NA
BRANCH  13  15
ATOM     15  C   LIG    1        6.334   0.976   0.214  0.00  0.00    +0.436 C 
ATOM     16  F   LIG    1        6.663   1.285  -1.067  0.00  0.00    -0.164 F 
ATOM     17  F   LIG    1        6.124   2.148   0.869  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1        7.446   0.420   0.773  0.00  0.00    -0.164 F 
ENDBRANCH  13  15
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.326  -0.028  -0.281  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -2.488  -1.229   0.718  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -2.710  -2.148  -0.507  0.00  0.00    -0.012 C 
ATOM     22  C   LIG    1       -3.704  -3.277  -0.335  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -3.213  -0.891  -1.258  0.00  0.00    +0.022 C 
BRANCH  19  26
ATOM     24  C   LIG    1       -1.586   1.909   2.173  0.00  0.00    +0.151 C 
ATOM     25  N   LIG    1       -2.711   2.063   1.293  0.00  0.00    -0.320 N 
ATOM     26  C   LIG    1       -3.068   1.269   0.238  0.00  0.00    +0.144 A 
ATOM     27  N   LIG    1       -4.145   1.774  -0.327  0.00  0.00    -0.134 NA
ATOM     28  N   LIG    1       -4.504   2.902   0.373  0.00  0.00    -0.138 NA
ATOM     29  C   LIG    1       -3.632   3.063   1.340  0.00  0.00    +0.224 A 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 4