COMPND 442 2-(3,5-DIBROMO-4-(4-HYDROXY-3-(HYDROXY((2- PHENYLETHYL)AMINO)METHYL)PHENOXY)PHENYL)ETHANE-1,1- DIOL; (3,5-DIBROMO-4-(4-HYDROXY-3-PHENETHYLCARBAMOYL- PHENOXY)-PHENYL)-ACETIC ACID
REMARK 442 Part of HIC-Up: http://xray.bmc.uu.se/hicup
REMARK 442 Extracted from PDB file pdb1r6g.ent
REMARK 442 Formula C23 H23 BR2 N O5
REMARK 442 Nr of non-hydrogen atoms  31
REMARK 442 Eigen-values covariance X/Y/Z      749.5      54.3      30.0
REMARK 442 Residue type 442
REMARK 442 Residue name    773
REMARK 442 Original residue name (for O) $A500
REMARK 442  RESOLUTION. 3.00 ANGSTROMS.
REMARK 442 occurs in        0 other PDB entries
REMARK 442
HETATM    1  O3  442   773       1.173  -0.301   8.516  1.00 20.00           O+0
HETATM    2  C8  442   773       0.987   0.188   7.187  1.00 20.00           C+0
HETATM    3  O2  442   773       2.209   0.757   6.713  1.00 20.00           O+0
HETATM    4  C7  442   773       0.572  -0.964   6.271  1.00 20.00           C+0
HETATM    5  C5  442   773       0.375  -0.447   4.870  1.00 20.00           C+0
HETATM    6  C6  442   773      -0.868   0.004   4.470  1.00 20.00           C+0
HETATM    7  C4  442   773       1.437  -0.431   3.984  1.00 20.00           C+0
HETATM    8  C3  442   773       1.260   0.042   2.698  1.00 20.00           C+0
HETATM    9 BR2  442   773       2.713   0.063   1.488  1.00 20.00          BR+0
HETATM   10  C2  442   773       0.013   0.502   2.295  1.00 20.00           C+0
HETATM   11  C1  442   773      -1.050   0.484   3.186  1.00 20.00           C+0
HETATM   12 BR1  442   773      -2.750   1.110   2.642  1.00 20.00          BR+0
HETATM   13  O4  442   773      -0.164   0.968   1.031  1.00 20.00           O+0
HETATM   14  C11 442   773      -0.529  -0.095   0.268  1.00 20.00           C+0
HETATM   15  C12 442   773      -0.788   0.076  -1.083  1.00 20.00           C+0
HETATM   16  C13 442   773      -1.154  -1.005  -1.860  1.00 20.00           C+0
HETATM   17  C14 442   773      -1.273  -2.262  -1.285  1.00 20.00           C+0
HETATM   18  C15 442   773      -1.020  -2.433   0.067  1.00 20.00           C+0
HETATM   19  C16 442   773      -0.649  -1.353   0.842  1.00 20.00           C+0
HETATM   20  O   442   773      -1.639  -3.326  -2.049  1.00 20.00           O+0
HETATM   21  C17 442   773      -1.430  -0.819  -3.329  1.00 20.00           C+0
HETATM   22  O1  442   773      -2.812  -0.512  -3.520  1.00 20.00           O+0
HETATM   23  N28 442   773      -0.608   0.282  -3.846  1.00 20.00           N+0
HETATM   24  C29 442   773      -0.335  -0.019  -5.257  1.00 20.00           C+0
HETATM   25  C30 442   773       0.521   1.095  -5.861  1.00 20.00           C+0
HETATM   26  C31 442   773       0.801   0.785  -7.309  1.00 20.00           C+0
HETATM   27  C36 442   773       1.924   0.057  -7.656  1.00 20.00           C+0
HETATM   28  C35 442   773       2.178  -0.230  -8.984  1.00 20.00           C+0
HETATM   29  C32 442   773      -0.061   1.233  -8.291  1.00 20.00           C+0
HETATM   30  C33 442   773       0.194   0.949  -9.619  1.00 20.00           C+0
HETATM   31  C34 442   773       1.315   0.216  -9.966  1.00 20.00           C+0
REMARK 442 ENDHET