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 -8.805 0.205 -1.427 1.00 20.00 HETATM 2 C8 442 773 -7.858 0.379 -0.613 1.00 20.00 HETATM 3 O2 442 773 -7.791 -0.191 0.503 1.00 20.00 HETATM 4 C7 442 773 -6.780 1.341 -1.078 1.00 20.00 HETATM 5 C5 442 773 -5.473 0.834 -0.475 1.00 20.00 HETATM 6 C6 442 773 -4.856 -0.237 -1.116 1.00 20.00 HETATM 7 C4 442 773 -4.965 1.298 0.750 1.00 20.00 HETATM 8 C3 442 773 -3.826 0.731 1.330 1.00 20.00 HETATM 9 BR2 442 773 -3.025 1.241 2.950 1.00 20.00 HETATM 10 C2 442 773 -3.154 -0.390 0.679 1.00 20.00 HETATM 11 C1 442 773 -3.723 -0.852 -0.590 1.00 20.00 HETATM 12 BR1 442 773 -2.895 -2.285 -1.462 1.00 20.00 HETATM 13 O4 442 773 -2.018 -0.940 1.229 1.00 20.00 HETATM 14 C11 442 773 -0.791 -0.531 0.740 1.00 20.00 HETATM 15 C12 442 773 0.323 -1.376 0.820 1.00 20.00 HETATM 16 C13 442 773 1.557 -0.954 0.335 1.00 20.00 HETATM 17 C14 442 773 1.660 0.400 -0.268 1.00 20.00 HETATM 18 C15 442 773 0.541 1.206 -0.335 1.00 20.00 HETATM 19 C16 442 773 -0.672 0.745 0.159 1.00 20.00 HETATM 20 O 442 773 2.801 0.853 -0.765 1.00 20.00 HETATM 21 C17 442 773 2.770 -1.852 0.384 1.00 20.00 HETATM 22 O1 442 773 2.902 -2.755 1.217 1.00 20.00 HETATM 23 N28 442 773 3.720 -1.646 -0.514 1.00 20.00 HETATM 24 C29 442 773 5.080 -1.747 -0.052 1.00 20.00 HETATM 25 C30 442 773 6.186 -1.403 -1.060 1.00 20.00 HETATM 26 C31 442 773 6.415 0.028 -0.687 1.00 20.00 HETATM 27 C36 442 773 7.167 0.293 0.441 1.00 20.00 HETATM 28 C35 442 773 7.289 1.595 0.892 1.00 20.00 HETATM 29 C32 442 773 5.736 1.039 -1.345 1.00 20.00 HETATM 30 C33 442 773 5.851 2.345 -0.882 1.00 20.00 HETATM 31 C34 442 773 6.633 2.624 0.238 1.00 20.00 REMARK 442 ENDHET