PDB Code: A88
X-PLOR files
Heterogen file generated from the file hetero.pdb
COMPND A88 (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5- DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE
REMARK A88 Extracted from PDB file 1pro.pdb
REMARK A88 Formula C34 H37 N3 O6
REMARK A88 Nr of non-hydrogen atoms 43
REMARK A88 Residue type A88
REMARK A88 Residue name 70
REMARK A88 Original residue name (for O) $301
REMARK 2 RESOLUTION. 1.8 ANGSTROMS. A88
HETATM 1 N1 A88 70 0.782 1.237 -0.853 1.00 20.00
HETATM 2 N2 A88 70 0.756 -0.208 -1.025 1.00 20.00
HETATM 3 C3 A88 70 0.557 -1.103 -0.027 1.00 20.00
HETATM 4 O3 A88 70 1.195 -2.184 -0.071 1.00 20.00
HETATM 5 N4 A88 70 -0.347 -0.742 0.917 1.00 20.00
HETATM 6 C5 A88 70 -1.392 0.169 0.870 1.00 20.00
HETATM 7 C6 A88 70 -1.116 1.701 0.492 1.00 20.00
HETATM 8 O6 A88 70 -2.321 2.336 0.805 1.00 20.00
HETATM 9 C7 A88 70 -0.564 1.975 -0.892 1.00 20.00
HETATM 10 C8 A88 70 1.794 1.769 0.161 1.00 20.00
HETATM 11 C9 A88 70 3.130 1.772 -0.560 1.00 20.00
HETATM 12 C10 A88 70 3.392 2.757 -1.530 1.00 20.00
HETATM 13 C11 A88 70 4.593 2.726 -2.233 1.00 20.00
HETATM 14 C12 A88 70 5.525 1.723 -1.954 1.00 20.00
HETATM 15 C13 A88 70 5.251 0.753 -0.986 1.00 20.00
HETATM 16 C14 A88 70 4.061 0.768 -0.279 1.00 20.00
HETATM 17 C15 A88 70 -2.444 -0.518 -0.041 1.00 20.00
HETATM 18 C16 A88 70 -3.122 -1.731 0.620 1.00 20.00
HETATM 19 C17 A88 70 -4.124 -1.553 1.590 1.00 20.00
HETATM 20 C18 A88 70 -4.735 -2.672 2.169 1.00 20.00
HETATM 21 C19 A88 70 -4.351 -3.959 1.789 1.00 20.00
HETATM 22 C20 A88 70 -3.357 -4.124 0.827 1.00 20.00
HETATM 23 C21 A88 70 -2.738 -3.022 0.237 1.00 20.00
HETATM 24 C22 A88 70 -0.117 -1.553 2.211 1.00 20.00
HETATM 25 C23 A88 70 -0.370 -0.929 3.573 1.00 20.00
HETATM 26 C24 A88 70 -1.497 -1.285 4.302 1.00 20.00
HETATM 27 C25 A88 70 -1.715 -0.692 5.545 1.00 20.00
HETATM 28 C26 A88 70 -0.795 0.222 6.049 1.00 20.00
HETATM 29 C27 A88 70 0.331 0.588 5.321 1.00 20.00
HETATM 30 C28 A88 70 0.537 0.011 4.075 1.00 20.00
HETATM 31 O29 A88 70 -0.995 0.785 7.250 1.00 20.00
HETATM 32 O30 A88 70 -2.939 -0.953 6.175 1.00 20.00
HETATM 33 C31 A88 70 -3.828 -2.096 6.026 1.00 20.00
HETATM 34 C32 A88 70 1.488 -0.664 -2.294 1.00 20.00
HETATM 35 C33 A88 70 1.066 -0.116 -3.630 1.00 20.00
HETATM 36 C34 A88 70 -0.210 -0.397 -4.141 1.00 20.00
HETATM 37 C35 A88 70 -0.573 0.115 -5.385 1.00 20.00
HETATM 38 C36 A88 70 0.341 0.899 -6.095 1.00 20.00
HETATM 39 C37 A88 70 1.601 1.166 -5.574 1.00 20.00
HETATM 40 C38 A88 70 1.968 0.655 -4.350 1.00 20.00
HETATM 41 O39 A88 70 -0.251 1.237 -7.254 1.00 20.00
HETATM 42 O40 A88 70 2.414 2.042 -6.288 1.00 20.00
HETATM 43 C41 A88 70 3.116 3.081 -5.554 1.00 20.00
REMARK A88 ENDHET
REMARK