REMARK  Name = BDB055888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.318   2.356  -2.401  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.248   1.623  -1.743  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.571   0.311  -1.156  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.275  -0.512  -0.904  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.626   0.226  -0.069  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        1.002   1.479  -0.639  0.00  0.00    +0.209 C 
ATOM      7  C   LIG    1       -0.085   2.297  -1.390  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        0.115   3.474  -1.692  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.490   0.439   0.058  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -2.166   1.240   1.165  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.024   1.323   2.265  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.215   0.604   2.269  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -5.373   0.713   3.759  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -4.558  -0.197   1.184  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -3.700  -0.278   0.085  0.00  0.00    +0.006 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -0.523  -1.896  -0.329  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -0.900  -2.948  -1.181  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.160  -4.222  -0.668  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -1.047  -4.453   0.701  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -1.403  -6.175   1.393  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -0.675  -3.424   1.561  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -0.414  -2.152   1.047  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        2.223   1.317  -1.566  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.498   1.030  -0.802  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        3.785  -0.269  -0.354  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.955  -0.526   0.361  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        5.836   0.514   0.630  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1        6.959   0.266   1.317  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        5.569   1.808   0.199  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1        4.399   2.068  -0.515  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4