PDB Code: J78
X-PLOR files
Heterogen file generated from the file hetero.pdb
COMPND J78 (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL) ETHYLACETATE
REMARK J78 Extracted from PDB file 1vbe.pdb
REMARK J78 Formula C22 H29 N3 O3
REMARK J78 Nr of non-hydrogen atoms 28
REMARK J78 Residue type J78
REMARK J78 Residue name 641
REMARK J78 Original residue name (for O) $500
REMARK 2 RESOLUTION. 2.8 ANGSTROMS. J78
REMARK J78 Compound also present in : 1VBA 1VBD
HETATM 1 C1 J78 641 -5.236 7.984 -1.950 1.00 20.00
HETATM 2 C2 J78 641 -4.352 6.760 -1.948 1.00 20.00
HETATM 3 C3 J78 641 -3.563 6.495 -3.051 1.00 20.00
HETATM 4 C4 J78 641 -2.747 5.385 -3.016 1.00 20.00
HETATM 5 C5 J78 641 -2.734 4.575 -1.885 1.00 20.00
HETATM 6 N4 J78 641 -3.557 4.903 -0.872 1.00 20.00
HETATM 7 N3 J78 641 -4.358 5.980 -0.886 1.00 20.00
HETATM 8 N6 J78 641 -1.910 3.521 -1.788 1.00 20.00
HETATM 9 C7 J78 641 -1.033 3.162 -2.903 1.00 20.00
HETATM 10 C8 J78 641 0.174 2.376 -2.490 1.00 20.00
HETATM 11 C9 J78 641 -0.088 1.212 -1.563 1.00 20.00
HETATM 12 C10 J78 641 -1.012 1.548 -0.415 1.00 20.00
HETATM 13 C11 J78 641 -1.927 2.774 -0.511 1.00 20.00
HETATM 14 C12 J78 641 1.267 0.776 -1.074 1.00 20.00
HETATM 15 C13 J78 641 1.260 -0.486 -0.265 1.00 20.00
HETATM 16 C14 J78 641 0.951 -1.654 -1.146 1.00 20.00
HETATM 17 O15 J78 641 0.021 -2.478 -0.448 1.00 20.00
HETATM 18 C16 J78 641 0.571 -3.469 0.312 1.00 20.00
HETATM 19 C17 J78 641 1.535 -4.320 -0.230 1.00 20.00
HETATM 20 C18 J78 641 2.378 -5.017 0.610 1.00 20.00
HETATM 21 C19 J78 641 2.282 -4.868 1.988 1.00 20.00
HETATM 22 C20 J78 641 1.322 -4.025 2.523 1.00 20.00
HETATM 23 C21 J78 641 0.468 -3.318 1.694 1.00 20.00
HETATM 24 C22 J78 641 3.175 -5.503 2.826 1.00 20.00
HETATM 25 O23 J78 641 3.915 -6.401 2.416 1.00 20.00
HETATM 26 O24 J78 641 3.210 -5.075 4.215 1.00 20.00
HETATM 27 C25 J78 641 4.447 -4.882 4.823 1.00 20.00
HETATM 28 C26 J78 641 5.533 -5.956 5.037 1.00 20.00
REMARK J78 ENDHET
REMARK